![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JQKQ9
Calculation Name: 4FMV-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4FMV
Chain ID: A
UniProt ID: F1TBY8
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 386 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6623605.462168 |
---|---|
FMO2-HF: Nuclear repulsion | 6471806.770528 |
FMO2-HF: Total energy | -151798.69164 |
FMO2-MP2: Total energy | -152235.901974 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F035479/ligand_interaction/ligand_F035479.png)
Ligand Interaction
![ligand interaction](./Kdata/F035479/ligand_interaction/ligand_interaction_F035479.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:SER)
Summations of interaction energy for
fragment #1(A:3:SER)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-14.079 | -9.115 | 5.302 | -4.912 | -5.353 | -0.04 |
Interaction energy analysis for fragmet #1(A:3:SER)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | VAL | 0 | -0.022 | -0.016 | 3.573 | 2.205 | 3.662 | 0.043 | -0.748 | -0.751 | 0.003 |
4 | A | 6 | THR | 0 | -0.041 | -0.026 | 5.910 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | VAL | 0 | 0.013 | -0.010 | 8.610 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | ASN | 0 | 0.053 | 0.035 | 11.817 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | LEU | 0 | -0.017 | -0.007 | 14.455 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | GLY | 0 | 0.015 | 0.010 | 17.703 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | SER | 0 | -0.112 | -0.063 | 16.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | THR | 0 | -0.026 | -0.018 | 17.742 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | LYS | 1 | 0.899 | 0.961 | 16.526 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | GLN | 0 | 0.020 | 0.018 | 20.015 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | GLU | -1 | -0.932 | -0.969 | 22.772 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ILE | 0 | -0.045 | -0.018 | 21.554 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ARG | 1 | 0.882 | 0.945 | 25.476 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLY | 0 | -0.004 | -0.023 | 27.372 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | PHE | 0 | 0.028 | 0.000 | 22.206 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | GLY | 0 | 0.012 | 0.000 | 27.868 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | ALA | 0 | 0.001 | 0.020 | 30.169 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | SER | 0 | -0.003 | -0.007 | 32.889 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | SER | 0 | -0.022 | -0.051 | 36.364 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | ALA | 0 | 0.044 | 0.031 | 39.446 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | TRP | 0 | 0.002 | -0.014 | 41.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | CYS | 0 | -0.068 | -0.009 | 40.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLY | 0 | -0.003 | 0.014 | 43.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | THR | 0 | -0.027 | -0.021 | 45.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | ILE | 0 | 0.015 | 0.017 | 39.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | SER | 0 | 0.013 | 0.003 | 43.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ASP | -1 | -0.823 | -0.942 | 42.617 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | TYR | 0 | -0.058 | -0.002 | 39.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | VAL | 0 | 0.055 | 0.020 | 37.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | MET | 0 | 0.023 | 0.018 | 37.484 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | ASN | 0 | -0.013 | -0.015 | 37.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | SER | 0 | 0.008 | 0.023 | 35.231 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | LEU | 0 | -0.007 | -0.006 | 32.307 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | TYR | 0 | -0.033 | -0.069 | 32.568 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | GLY | 0 | -0.032 | -0.003 | 34.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | ASP | -1 | -0.920 | -0.957 | 32.729 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | LEU | 0 | -0.050 | -0.043 | 28.512 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | GLY | 0 | -0.028 | -0.005 | 28.872 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | TYR | 0 | 0.001 | -0.007 | 28.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | SER | 0 | 0.063 | 0.026 | 29.046 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | ILE | 0 | 0.002 | 0.022 | 30.103 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | LEU | 0 | -0.016 | 0.021 | 33.319 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ARG | 1 | 0.798 | 0.906 | 35.115 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | LEU | 0 | -0.010 | -0.008 | 37.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | ARG | 1 | 0.845 | 0.915 | 40.838 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | -0.059 | -0.031 | 42.781 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLU | -1 | -0.854 | -0.903 | 45.991 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | GLU | -1 | -0.738 | -0.864 | 48.471 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | GLY | 0 | 0.022 | 0.014 | 51.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ILE | 0 | -0.122 | -0.051 | 53.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | GLY | 0 | -0.005 | 0.000 | 54.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | ASP | -1 | -0.810 | -0.899 | 56.398 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | ALA | 0 | -0.014 | -0.005 | 58.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | TRP | 0 | 0.014 | -0.005 | 55.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LYS | 1 | 0.865 | 0.947 | 57.122 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | THR | 0 | -0.068 | -0.031 | 59.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLY | 0 | 0.014 | 0.022 | 58.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ASN | 0 | -0.024 | -0.003 | 59.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | PHE | 0 | 0.087 | 0.022 | 53.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | SER | 0 | 0.022 | 0.023 | 54.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | LYS | 1 | 0.914 | 0.965 | 53.179 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | TRP | 0 | -0.003 | -0.009 | 50.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | SER | 0 | -0.031 | -0.036 | 49.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PRO | 0 | -0.016 | -0.007 | 48.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | GLU | -1 | -0.676 | -0.821 | 43.185 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | LEU | 0 | -0.003 | 0.016 | 44.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | ALA | 0 | -0.031 | -0.019 | 46.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | ASN | 0 | -0.016 | -0.022 | 41.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ALA | 0 | 0.062 | 0.028 | 41.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | LYS | 1 | 0.918 | 0.962 | 42.218 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | LYS | 1 | 0.903 | 0.967 | 41.821 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | ALA | 0 | 0.018 | 0.014 | 37.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | SER | 0 | 0.026 | 0.003 | 38.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | ALA | 0 | -0.053 | -0.009 | 40.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | LYS | 1 | 0.857 | 0.929 | 36.493 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | GLY | 0 | -0.017 | 0.000 | 36.015 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ALA | 0 | -0.073 | -0.018 | 34.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | ILE | 0 | -0.016 | 0.002 | 33.342 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | VAL | 0 | 0.025 | -0.006 | 36.476 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | PHE | 0 | 0.005 | 0.000 | 34.022 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | ALA | 0 | 0.006 | 0.013 | 38.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | SER | 0 | 0.019 | -0.015 | 38.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | PRO | 0 | 0.014 | 0.022 | 41.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | TRP | 0 | 0.035 | 0.002 | 39.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | ASN | 0 | 0.054 | 0.034 | 44.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | PRO | 0 | -0.005 | 0.015 | 47.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | PRO | 0 | 0.008 | -0.004 | 50.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | ALA | 0 | 0.074 | 0.034 | 53.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | SER | 0 | -0.099 | -0.065 | 55.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | MET | 0 | -0.094 | -0.051 | 54.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | GLN | 0 | 0.017 | 0.002 | 50.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | GLU | -1 | -0.858 | -0.914 | 54.361 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ASN | 0 | 0.024 | 0.012 | 54.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | PHE | 0 | -0.041 | -0.028 | 48.786 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | SER | 0 | 0.017 | 0.008 | 53.884 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | LYS | 1 | 0.910 | 0.975 | 44.573 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | SER | 0 | -0.031 | -0.031 | 49.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | GLY | 0 | 0.009 | 0.005 | 51.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | ASP | -1 | -0.823 | -0.880 | 50.672 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | -0.059 | -0.053 | 53.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | SER | 0 | -0.065 | -0.034 | 52.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | ALA | 0 | -0.001 | 0.021 | 49.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | GLN | 0 | 0.073 | 0.030 | 50.090 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | ARG | 1 | 0.871 | 0.919 | 49.507 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | LEU | 0 | 0.000 | 0.007 | 49.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | ARG | 1 | 0.836 | 0.870 | 51.818 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | TYR | 0 | -0.029 | -0.077 | 51.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | ASP | -1 | -0.838 | -0.871 | 54.991 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | LYS | 1 | 0.888 | 0.963 | 55.121 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | TYR | 0 | 0.027 | 0.026 | 49.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | THR | 0 | 0.014 | -0.003 | 52.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | GLU | -1 | -0.832 | -0.929 | 54.494 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | TYR | 0 | 0.014 | -0.021 | 45.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | ALA | 0 | 0.043 | 0.026 | 49.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | GLN | 0 | -0.033 | -0.019 | 51.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | TYR | 0 | 0.023 | 0.007 | 49.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | LEU | 0 | 0.026 | 0.008 | 45.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ASN | 0 | 0.005 | -0.011 | 48.708 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ALA | 0 | -0.038 | -0.011 | 50.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | TYR | 0 | 0.004 | 0.003 | 44.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | VAL | 0 | 0.022 | 0.007 | 45.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | LYS | 1 | 0.852 | 0.920 | 48.059 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | TYR | 0 | 0.015 | 0.009 | 50.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | MET | 0 | -0.008 | -0.005 | 45.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | LYS | 1 | 1.002 | 1.009 | 48.612 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | ASP | -1 | -0.889 | -0.929 | 49.499 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | ASN | 0 | -0.142 | -0.082 | 50.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | GLY | 0 | -0.016 | -0.006 | 49.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | VAL | 0 | -0.025 | -0.012 | 43.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | ASP | -1 | -0.907 | -0.952 | 43.736 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | LEU | 0 | -0.053 | -0.035 | 41.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | TYR | 0 | -0.006 | -0.009 | 34.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | ALA | 0 | 0.029 | -0.013 | 37.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ILE | 0 | -0.024 | -0.009 | 39.747 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | SER | 0 | -0.047 | -0.030 | 38.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | VAL | 0 | 0.038 | 0.013 | 40.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | GLN | 0 | -0.045 | -0.029 | 41.266 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | ASN | 0 | 0.054 | 0.038 | 37.999 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLU | -1 | -0.799 | -0.882 | 35.678 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PRO | 0 | 0.004 | 0.006 | 38.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | ASP | -1 | -0.756 | -0.877 | 36.738 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | TYR | 0 | -0.082 | -0.031 | 38.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | ALA | 0 | 0.084 | 0.010 | 40.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | GLN | 0 | -0.038 | 0.000 | 43.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | ASP | -1 | -0.915 | -0.950 | 44.661 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | TRP | 0 | -0.104 | -0.058 | 39.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | THR | 0 | -0.020 | -0.005 | 46.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | TRP | 0 | -0.027 | -0.011 | 42.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | TRP | 0 | -0.055 | -0.038 | 43.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | THR | 0 | -0.008 | -0.011 | 43.400 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | PRO | 0 | 0.061 | 0.001 | 40.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | GLN | 0 | -0.028 | -0.008 | 42.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | GLU | -1 | -0.803 | -0.857 | 45.596 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | MET | 0 | 0.034 | 0.021 | 40.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | LEU | 0 | -0.020 | -0.001 | 42.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | ASN | 0 | 0.019 | 0.003 | 44.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | PHE | 0 | 0.014 | 0.017 | 45.644 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | MET | 0 | -0.001 | 0.000 | 40.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | LYS | 1 | 0.817 | 0.909 | 44.951 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | ASN | 0 | -0.026 | -0.020 | 47.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | ASN | 0 | -0.005 | -0.011 | 49.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | ALA | 0 | 0.028 | 0.011 | 44.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | GLY | 0 | 0.055 | 0.047 | 46.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | SER | 0 | -0.108 | -0.052 | 47.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | ILE | 0 | -0.015 | -0.002 | 45.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | ASN | 0 | -0.035 | -0.015 | 47.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | CYS | 0 | -0.080 | -0.022 | 43.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ARG | 1 | 0.956 | 0.986 | 37.471 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | VAL | 0 | 0.031 | 0.013 | 40.790 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | MET | 0 | -0.080 | -0.020 | 34.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | ALA | 0 | 0.023 | -0.001 | 36.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | PRO | 0 | -0.015 | -0.019 | 34.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | GLU | -1 | -0.713 | -0.783 | 34.528 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | SER | 0 | -0.038 | -0.049 | 33.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | PHE | 0 | 0.070 | 0.020 | 33.314 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | GLN | 0 | -0.013 | -0.006 | 30.151 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | PHE | 0 | -0.005 | 0.008 | 25.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | LEU | 0 | 0.029 | 0.016 | 30.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | LYS | 1 | 0.846 | 0.902 | 27.177 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | ASN | 0 | 0.008 | 0.009 | 32.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | MET | 0 | -0.004 | 0.013 | 35.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | SER | 0 | 0.007 | -0.026 | 33.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | ASP | -1 | -0.840 | -0.896 | 33.928 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | PRO | 0 | -0.043 | -0.032 | 36.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | ILE | 0 | 0.017 | 0.014 | 37.986 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | LEU | 0 | 0.011 | 0.006 | 32.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | ASN | 0 | -0.043 | -0.029 | 37.001 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | ASP | -1 | -0.788 | -0.867 | 39.220 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | ALA | 0 | 0.016 | -0.003 | 41.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | THR | 0 | 0.014 | 0.017 | 42.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ALA | 0 | -0.010 | -0.018 | 42.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | LEU | 0 | -0.049 | -0.018 | 36.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | ASP | -1 | -0.934 | -0.972 | 39.452 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | ASN | 0 | -0.089 | -0.047 | 41.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | MET | 0 | -0.032 | -0.006 | 34.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ASP | -1 | -0.817 | -0.915 | 37.326 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | VAL | 0 | -0.063 | -0.031 | 32.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | LEU | 0 | 0.040 | 0.009 | 31.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | GLY | 0 | 0.003 | 0.001 | 31.493 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | CYS | 0 | -0.087 | -0.030 | 28.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | HIS | 1 | 0.782 | 0.876 | 30.431 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | PHE | 0 | 0.078 | 0.007 | 22.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | TYR | 0 | -0.044 | -0.064 | 27.811 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | GLY | 0 | 0.021 | 0.008 | 28.441 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | THR | 0 | -0.059 | -0.027 | 24.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | SER | 0 | 0.005 | -0.001 | 23.084 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | VAL | 0 | 0.091 | 0.015 | 16.993 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | ASN | 0 | 0.018 | 0.016 | 20.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ASN | 0 | -0.041 | -0.012 | 21.308 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | MET | 0 | 0.019 | 0.030 | 21.142 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | ALA | 0 | 0.023 | 0.035 | 21.041 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | TYR | 0 | -0.018 | -0.040 | 22.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | PRO | 0 | 0.022 | -0.001 | 25.003 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | LEU | 0 | 0.000 | 0.011 | 26.951 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | TYR | 0 | 0.092 | 0.034 | 27.578 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLN | 0 | 0.016 | -0.004 | 24.413 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | GLN | 0 | -0.053 | -0.021 | 27.792 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | LYS | 1 | 0.886 | 0.952 | 30.287 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | SER | 0 | -0.020 | 0.002 | 28.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | ALA | 0 | -0.002 | 0.003 | 31.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | GLY | 0 | -0.001 | -0.006 | 33.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | LYS | 1 | 0.838 | 0.947 | 32.482 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | GLU | -1 | -0.819 | -0.902 | 30.054 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | LEU | 0 | -0.013 | 0.009 | 25.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | TRP | 0 | -0.064 | -0.048 | 27.546 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | MET | 0 | -0.004 | 0.018 | 25.970 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | THR | 0 | -0.058 | -0.091 | 28.271 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | GLU | -1 | -0.773 | -0.844 | 30.841 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | LYS | 1 | 0.838 | 0.919 | 25.780 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | TYR | 0 | -0.028 | -0.005 | 29.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | PHE | 0 | 0.013 | -0.015 | 24.069 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ASP | -1 | -0.867 | -0.939 | 28.994 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | ASP | -1 | -0.840 | -0.899 | 29.615 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | ASP | -1 | -0.782 | -0.899 | 28.264 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | THR | 0 | -0.045 | -0.023 | 27.460 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | THR | 0 | 0.042 | -0.006 | 21.352 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | GLY | 0 | 0.005 | 0.014 | 22.441 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | ASN | 0 | 0.056 | 0.009 | 22.582 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | ILE | 0 | -0.020 | 0.011 | 21.420 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | MET | 0 | -0.049 | 0.001 | 17.790 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | ASN | 0 | -0.013 | -0.003 | 18.978 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | MET | 0 | -0.029 | 0.013 | 20.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | SER | 0 | -0.032 | -0.030 | 17.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | LYS | 1 | 0.874 | 0.935 | 14.114 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | GLU | -1 | -0.780 | -0.868 | 17.197 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | ILE | 0 | 0.015 | 0.022 | 20.031 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | HIS | 0 | 0.033 | 0.032 | 12.206 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | ASP | -1 | -0.854 | -0.933 | 15.742 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | SER | 0 | -0.036 | -0.041 | 17.493 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | MET | 0 | -0.024 | -0.001 | 17.707 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | VAL | 0 | -0.011 | -0.013 | 12.832 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | THR | 0 | -0.039 | -0.021 | 16.234 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | GLY | 0 | -0.003 | -0.009 | 17.782 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | ASN | 0 | -0.104 | -0.034 | 19.090 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | MET | 0 | 0.005 | 0.016 | 21.279 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | ASN | 0 | 0.023 | 0.008 | 23.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | ALA | 0 | 0.026 | 0.012 | 25.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | TYR | 0 | -0.025 | -0.021 | 23.810 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | ILE | 0 | -0.078 | -0.034 | 26.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | TYR | 0 | -0.011 | -0.024 | 27.947 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | TRP | 0 | 0.061 | 0.033 | 30.212 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | TRP | 0 | -0.031 | -0.038 | 33.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | ILE | 0 | 0.022 | 0.003 | 35.177 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | THR | 0 | -0.073 | -0.042 | 36.649 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | TRP | 0 | 0.050 | 0.022 | 37.688 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | PRO | 0 | 0.043 | 0.022 | 36.804 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ASN | 0 | 0.043 | 0.037 | 33.803 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLY | 0 | 0.033 | 0.019 | 33.084 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | LEU | 0 | -0.039 | -0.024 | 29.891 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | ALA | 0 | 0.030 | 0.010 | 33.223 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | THR | 0 | 0.017 | 0.026 | 36.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | SER | 0 | 0.029 | -0.004 | 39.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | SER | 0 | -0.045 | -0.029 | 42.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | GLY | 0 | 0.034 | -0.002 | 40.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | THR | 0 | -0.055 | -0.003 | 36.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | ILE | 0 | 0.026 | 0.011 | 31.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | TYR | 0 | -0.031 | -0.019 | 31.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | LYS | 1 | 0.867 | 0.923 | 24.906 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | ARG | 1 | 0.845 | 0.904 | 26.415 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | ALA | 0 | 0.007 | 0.020 | 26.800 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | TYR | 0 | 0.025 | 0.004 | 25.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | VAL | 0 | -0.008 | 0.003 | 21.385 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | LEU | 0 | 0.011 | 0.009 | 22.617 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | GLY | 0 | 0.027 | 0.010 | 24.561 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLN | 0 | -0.015 | -0.007 | 20.014 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | PHE | 0 | 0.020 | 0.019 | 17.664 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | ALA | 0 | 0.005 | 0.000 | 22.201 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | LYS | 1 | 0.874 | 0.960 | 25.654 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | PHE | 0 | -0.045 | -0.051 | 22.211 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | ILE | 0 | -0.042 | 0.010 | 19.660 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | ARG | 1 | 0.851 | 0.927 | 23.736 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | PRO | 0 | 0.016 | -0.006 | 26.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | GLY | 0 | 0.008 | 0.016 | 28.206 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | TYR | 0 | -0.031 | -0.014 | 22.592 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | LYS | 1 | 0.976 | 0.995 | 22.486 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | ARG | 1 | 0.904 | 0.945 | 14.801 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | VAL | 0 | -0.048 | -0.030 | 15.286 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | ASP | -1 | -0.859 | -0.911 | 12.944 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | ALA | 0 | 0.009 | -0.012 | 10.303 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | THR | 0 | -0.019 | 0.009 | 3.813 | -0.823 | -0.562 | 0.002 | -0.085 | -0.178 | 0.000 |
303 | A | 305 | ALA | 0 | 0.063 | 0.034 | 7.198 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | THR | 0 | -0.017 | -0.022 | 6.269 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | PRO | 0 | -0.039 | 0.020 | 2.452 | 0.125 | 1.322 | 0.553 | -0.634 | -1.117 | 0.004 |
306 | A | 308 | ASN | 0 | 0.069 | 0.019 | 2.023 | -15.789 | -14.246 | 4.705 | -3.209 | -3.040 | -0.047 |
307 | A | 309 | THR | 0 | 0.032 | 0.007 | 4.787 | 1.164 | 1.229 | -0.001 | -0.015 | -0.048 | 0.000 |
308 | A | 310 | ASN | 0 | -0.063 | -0.025 | 8.367 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | VAL | 0 | 0.011 | 0.024 | 6.732 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | TYR | 0 | -0.013 | -0.009 | 7.963 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | VAL | 0 | -0.005 | -0.002 | 8.050 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | SER | 0 | -0.007 | 0.013 | 10.257 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | 0.028 | -0.006 | 13.074 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | TYR | 0 | 0.013 | -0.011 | 15.014 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | THR | 0 | -0.014 | -0.001 | 18.727 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | GLY | 0 | 0.073 | 0.028 | 21.349 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | ASP | -1 | -0.836 | -0.909 | 25.123 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | ASN | 0 | -0.048 | -0.023 | 25.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | LYS | 1 | 0.853 | 0.941 | 23.594 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | ALA | 0 | 0.004 | 0.001 | 18.027 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | VAL | 0 | 0.002 | -0.005 | 18.388 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | ILE | 0 | -0.014 | 0.002 | 11.982 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | VAL | 0 | 0.002 | 0.013 | 14.435 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | ALA | 0 | -0.011 | -0.015 | 10.782 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | ILE | 0 | -0.013 | -0.008 | 11.962 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | ASN | 0 | -0.014 | -0.007 | 11.195 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | THR | 0 | 0.033 | -0.001 | 12.421 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | GLY | 0 | -0.006 | 0.006 | 12.953 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | THR | 0 | -0.007 | -0.016 | 13.900 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | ALA | 0 | 0.030 | 0.011 | 13.581 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | ALA | 0 | -0.015 | -0.009 | 12.799 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | VAL | 0 | 0.006 | 0.012 | 6.684 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | SER | 0 | -0.037 | -0.005 | 7.020 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | GLN | 0 | -0.040 | -0.038 | 3.488 | -0.856 | -0.415 | 0.000 | -0.221 | -0.219 | 0.000 |
335 | A | 337 | LYS | 1 | 0.915 | 0.976 | 5.417 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | PHE | 0 | 0.021 | 0.007 | 6.613 | -0.692 | -0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | ASN | 0 | -0.012 | -0.015 | 7.405 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | PHE | 0 | 0.008 | 0.007 | 10.872 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | GLN | 0 | -0.002 | -0.004 | 12.291 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | ASN | 0 | -0.053 | -0.056 | 15.352 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | GLY | 0 | 0.058 | 0.023 | 18.700 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | SER | 0 | -0.024 | -0.022 | 18.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | ALA | 0 | 0.039 | 0.025 | 18.967 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | SER | 0 | -0.004 | -0.001 | 20.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | SER | 0 | -0.057 | -0.034 | 20.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | VAL | 0 | 0.007 | 0.003 | 16.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | VAL | 0 | 0.003 | 0.015 | 19.914 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | SER | 0 | -0.002 | 0.004 | 17.850 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | TYR | 0 | 0.031 | 0.022 | 19.578 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | VAL | 0 | -0.011 | -0.002 | 18.131 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | THR | 0 | 0.016 | -0.011 | 19.959 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | ASP | -1 | -0.756 | -0.877 | 19.661 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | SER | 0 | -0.016 | -0.004 | 21.531 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | SER | 0 | -0.025 | -0.003 | 23.940 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | ARG | 1 | 0.850 | 0.916 | 19.467 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | ASN | 0 | 0.043 | 0.020 | 24.549 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | MET | 0 | -0.012 | 0.005 | 23.583 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | ALA | 0 | -0.032 | -0.001 | 24.055 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | ALA | 0 | 0.021 | 0.008 | 23.077 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | GLY | 0 | 0.025 | -0.003 | 20.449 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | ALA | 0 | -0.060 | -0.025 | 18.480 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | ASN | 0 | 0.016 | -0.002 | 19.488 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | ILE | 0 | -0.038 | -0.015 | 15.015 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | ALA | 0 | 0.023 | 0.006 | 18.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | VAL | 0 | -0.031 | -0.007 | 16.201 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | THR | 0 | 0.009 | 0.004 | 16.379 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | ASN | 0 | -0.035 | -0.015 | 15.083 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | GLY | 0 | 0.047 | 0.033 | 15.284 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | SER | 0 | -0.033 | -0.021 | 10.551 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | PHE | 0 | 0.031 | 0.015 | 12.111 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | THR | 0 | -0.006 | -0.009 | 8.826 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | ALA | 0 | 0.006 | 0.015 | 10.130 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | GLN | 0 | 0.013 | 0.001 | 10.256 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | LEU | 0 | 0.031 | 0.012 | 8.884 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | PRO | 0 | 0.012 | -0.004 | 12.336 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | ALA | 0 | 0.004 | 0.028 | 14.590 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | GLN | 0 | -0.020 | -0.034 | 15.562 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | SER | 0 | -0.043 | -0.032 | 14.982 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | ILE | 0 | 0.022 | 0.018 | 15.527 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | THR | 0 | 0.002 | -0.004 | 14.630 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | THR | 0 | -0.047 | -0.020 | 15.854 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | PHE | 0 | -0.005 | -0.017 | 12.852 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | VAL | 0 | 0.004 | -0.002 | 17.580 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | GLY | 0 | 0.051 | 0.030 | 20.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | ASN | 0 | -0.039 | -0.011 | 21.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | ALA | 0 | 0.007 | 0.006 | 21.787 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |