![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4JQ5N
Calculation Name: 3ZPJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3ZPJ
Chain ID: A
UniProt ID: B6YTT4
Base Structure: X-ray
Registration Date: 2023-09-22
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 | OptHSide |
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 | 355 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5338799.399724 |
---|---|
FMO2-HF: Nuclear repulsion | 5196426.434724 |
FMO2-HF: Total energy | -142372.965 |
FMO2-MP2: Total energy | -142787.398376 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F034427/ligand_interaction/ligand_F034427.png)
Ligand Interaction
![ligand interaction](./Kdata/F034427/ligand_interaction/ligand_interaction_F034427.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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-4.566 | 0.824 | 1.296 | -2.382 | -4.304 | 0.007 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | THR | 0 | 0.063 | 0.045 | 3.029 | -2.003 | 0.941 | 0.178 | -1.385 | -1.737 | 0.005 |
4 | A | 4 | LEU | 0 | 0.026 | 0.002 | 2.703 | -4.200 | -1.966 | 1.119 | -0.943 | -2.410 | 0.002 |
5 | A | 5 | GLU | -1 | -0.978 | -0.970 | 4.447 | -2.532 | -2.320 | -0.001 | -0.054 | -0.157 | 0.000 |
6 | A | 6 | GLU | -1 | -0.859 | -0.946 | 6.273 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ILE | 0 | -0.002 | 0.003 | 7.433 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ASN | 0 | -0.039 | -0.034 | 6.993 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | -0.027 | 0.010 | 10.121 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | LEU | 0 | 0.031 | -0.002 | 12.120 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | VAL | 0 | 0.013 | 0.014 | 13.147 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLU | -1 | -0.876 | -0.911 | 14.308 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ARG | 1 | 0.720 | 0.845 | 16.187 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.017 | 0.010 | 18.032 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TYR | 0 | -0.074 | -0.030 | 17.300 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | TYR | 0 | 0.038 | 0.000 | 17.026 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | GLU | -1 | -0.910 | -0.956 | 17.115 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.932 | -0.972 | 16.137 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ALA | 0 | -0.011 | -0.008 | 12.939 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.012 | -0.003 | 12.691 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | -0.009 | 0.003 | 14.632 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.793 | 0.887 | 8.864 | -0.862 | -0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | -0.024 | 0.001 | 9.995 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | TYR | 0 | -0.087 | -0.065 | 10.514 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLU | -1 | -0.914 | -0.947 | 8.812 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | -0.063 | -0.022 | 6.015 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.959 | -0.973 | 7.072 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASP | -1 | -0.845 | -0.925 | 8.264 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | PRO | 0 | 0.048 | 0.014 | 10.036 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ILE | 0 | 0.029 | 0.019 | 12.599 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | GLU | -1 | -0.950 | -0.983 | 6.041 | 2.067 | 2.067 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLN | 0 | -0.039 | -0.034 | 9.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | VAL | 0 | 0.000 | 0.006 | 10.988 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLN | 0 | -0.012 | 0.006 | 10.413 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | -0.054 | -0.018 | 7.620 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | LEU | 0 | 0.019 | 0.011 | 10.606 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | THR | 0 | 0.003 | -0.033 | 14.075 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LYS | 1 | 0.909 | 0.966 | 8.238 | -1.258 | -1.258 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ILE | 0 | 0.009 | 0.008 | 11.851 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | VAL | 0 | 0.024 | 0.020 | 14.925 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.018 | 0.012 | 16.969 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | THR | 0 | -0.053 | -0.041 | 15.005 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ILE | 0 | -0.032 | 0.000 | 18.016 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | TYR | 0 | 0.046 | 0.006 | 20.385 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLN | 0 | -0.071 | -0.031 | 18.923 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | HIS | 0 | -0.094 | -0.056 | 17.593 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ASP | -1 | -0.949 | -0.967 | 22.526 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLY | 0 | -0.004 | 0.015 | 21.988 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PRO | 0 | -0.035 | -0.024 | 21.610 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | MET | 0 | 0.038 | 0.015 | 23.666 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLU | -1 | -0.932 | -0.970 | 25.524 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TRP | 0 | 0.009 | -0.005 | 20.912 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ILE | 0 | -0.007 | -0.008 | 21.621 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | PRO | 0 | -0.011 | -0.006 | 22.613 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | SER | 0 | 0.025 | 0.024 | 23.027 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ILE | 0 | 0.023 | 0.013 | 17.189 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | MET | 0 | 0.006 | 0.004 | 19.474 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLU | -1 | -0.930 | -0.961 | 21.424 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASP | -1 | -0.844 | -0.902 | 17.951 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | -0.020 | -0.011 | 17.450 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | MET | 0 | -0.012 | -0.016 | 18.402 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TYR | 0 | -0.041 | -0.013 | 20.444 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.023 | 0.006 | 14.778 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ALA | 0 | 0.051 | 0.030 | 18.561 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.921 | 0.969 | 20.071 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.839 | 0.894 | 20.273 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LEU | 0 | 0.007 | 0.023 | 16.643 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ARG | 1 | 0.881 | 0.939 | 20.492 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASP | -1 | -0.788 | -0.871 | 20.369 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | PRO | 0 | 0.069 | 0.033 | 21.746 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.044 | 0.025 | 21.063 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASN | 0 | -0.047 | -0.056 | 16.196 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYS | 1 | 0.741 | 0.885 | 18.678 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ALA | 0 | 0.053 | 0.043 | 21.106 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | VAL | 0 | -0.012 | 0.006 | 15.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ALA | 0 | 0.001 | -0.003 | 17.453 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | TYR | 0 | 0.001 | -0.008 | 18.393 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | SER | 0 | 0.004 | -0.015 | 19.671 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ILE | 0 | -0.058 | -0.019 | 14.676 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ILE | 0 | -0.001 | -0.008 | 18.247 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | -0.013 | 0.003 | 20.763 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | SER | 0 | 0.008 | -0.015 | 18.909 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | THR | 0 | -0.021 | -0.014 | 17.789 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | 0.008 | 0.005 | 20.886 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ALA | 0 | 0.025 | 0.015 | 24.315 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.071 | -0.028 | 20.307 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | MET | 0 | -0.109 | -0.047 | 23.170 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | GLU | -1 | -0.962 | -0.974 | 25.802 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | TYR | 0 | -0.045 | -0.010 | 27.349 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.864 | -0.918 | 29.015 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLU | -1 | -0.964 | -0.988 | 30.734 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASP | -1 | -0.865 | -0.941 | 28.669 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ALA | 0 | 0.003 | 0.001 | 26.549 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | MET | 0 | -0.010 | -0.002 | 27.395 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.796 | -0.838 | 29.994 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | -0.009 | -0.027 | 23.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | PHE | 0 | 0.039 | -0.005 | 22.941 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | -0.053 | -0.036 | 26.966 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ARG | 1 | 0.803 | 0.886 | 26.890 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | -0.035 | -0.018 | 24.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.015 | -0.014 | 25.876 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.937 | -0.965 | 28.602 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLU | -1 | -0.856 | -0.948 | 25.302 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ALA | 0 | 0.026 | 0.001 | 25.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ASN | 0 | -0.107 | -0.063 | 27.238 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.892 | -0.935 | 28.693 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ILE | 0 | -0.117 | -0.048 | 24.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | GLU | -1 | -0.932 | -0.953 | 28.428 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | SER | 0 | -0.003 | -0.007 | 26.804 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PRO | 0 | 0.058 | 0.034 | 28.140 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | -0.006 | -0.019 | 24.763 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLU | -1 | -0.928 | -0.966 | 22.916 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LYS | 1 | 0.915 | 0.961 | 23.930 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | GLY | 0 | 0.040 | 0.013 | 25.469 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | MET | 0 | -0.044 | -0.013 | 20.299 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | 0.019 | 0.020 | 20.936 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | 0.043 | 0.016 | 21.998 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | SER | 0 | -0.027 | -0.008 | 21.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | -0.037 | -0.018 | 16.956 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | LEU | 0 | 0.025 | 0.018 | 19.543 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | 0.014 | 0.009 | 22.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | TYR | 0 | -0.021 | -0.017 | 15.211 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | HIS | 0 | 0.015 | 0.007 | 16.056 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | LEU | 0 | 0.023 | 0.020 | 20.466 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | -0.017 | -0.011 | 22.165 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ILE | 0 | -0.086 | -0.041 | 17.671 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ALA | 0 | -0.015 | -0.010 | 20.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLY | 0 | -0.021 | 0.013 | 23.643 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TYR | 0 | -0.061 | -0.057 | 26.149 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PRO | 0 | -0.001 | -0.007 | 27.370 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.883 | -0.954 | 28.379 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASN | 0 | 0.004 | -0.007 | 29.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.015 | 0.014 | 25.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | -0.030 | -0.020 | 27.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLU | -1 | -0.889 | -0.934 | 29.248 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | 0.033 | 0.012 | 26.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PHE | 0 | 0.005 | -0.013 | 21.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASN | 0 | -0.032 | -0.015 | 27.140 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | 0.053 | 0.041 | 30.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ALA | 0 | -0.043 | -0.004 | 25.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PHE | 0 | -0.026 | -0.038 | 27.908 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASP | -1 | -0.893 | -0.965 | 29.285 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | THR | 0 | -0.081 | -0.050 | 29.365 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ILE | 0 | -0.033 | -0.006 | 25.264 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.039 | -0.014 | 29.884 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLY | 0 | 0.034 | 0.032 | 32.709 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | -0.028 | 0.003 | 32.059 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLU | -1 | -0.960 | -0.984 | 34.081 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | THR | 0 | -0.020 | -0.004 | 31.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.028 | -0.019 | 33.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.039 | 0.005 | 32.124 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | 0.038 | 0.000 | 29.451 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | HIS | 0 | 0.011 | 0.003 | 27.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LYS | 1 | 0.853 | 0.931 | 26.922 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | VAL | 0 | -0.019 | -0.003 | 26.229 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ASP | -1 | -0.893 | -0.948 | 22.169 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLY | 0 | 0.007 | -0.006 | 22.428 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ILE | 0 | 0.034 | 0.004 | 23.409 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | LEU | 0 | -0.008 | -0.003 | 22.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ARG | 1 | 0.888 | 0.952 | 13.590 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | 0.036 | 0.016 | 20.129 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.039 | 0.028 | 22.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ASP | -1 | -0.842 | -0.912 | 17.480 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | -0.050 | -0.031 | 16.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LEU | 0 | -0.013 | 0.011 | 19.490 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.826 | -0.908 | 20.507 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LYS | 1 | 0.878 | 0.939 | 13.508 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.065 | 0.030 | 18.796 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | GLY | 0 | 0.066 | 0.041 | 21.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.892 | -0.918 | 19.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | THR | 0 | -0.131 | -0.071 | 18.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | LEU | 0 | 0.044 | 0.038 | 21.069 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | PRO | 0 | 0.032 | 0.028 | 24.844 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | SER | 0 | 0.008 | -0.014 | 27.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASN | 0 | -0.088 | -0.050 | 29.908 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLU | -1 | -0.816 | -0.907 | 28.812 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ALA | 0 | -0.043 | -0.014 | 26.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | MET | 0 | -0.035 | -0.024 | 27.727 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ASP | -1 | -0.825 | -0.918 | 30.366 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | PHE | 0 | 0.004 | 0.019 | 25.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | TYR | 0 | -0.029 | -0.044 | 23.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LYS | 1 | 0.847 | 0.920 | 27.369 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | MET | 0 | 0.029 | 0.033 | 28.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | 0.039 | 0.019 | 24.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PHE | 0 | -0.029 | -0.015 | 26.404 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASP | -1 | -0.818 | -0.895 | 28.670 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | 0.021 | 0.015 | 25.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | PHE | 0 | -0.046 | -0.050 | 21.588 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASP | -1 | -0.938 | -0.968 | 27.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LYS | 1 | 0.754 | 0.865 | 31.049 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | LEU | 0 | -0.037 | -0.014 | 27.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.055 | -0.008 | 28.853 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | VAL | 0 | 0.001 | 0.015 | 24.239 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | 0.051 | -0.001 | 26.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLN | 0 | -0.048 | -0.022 | 23.345 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ARG | 1 | 0.936 | 0.952 | 19.976 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | 0.049 | 0.035 | 23.910 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.021 | 0.016 | 27.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.035 | -0.019 | 21.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | 0.035 | 0.019 | 23.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | GLU | -1 | -0.901 | -0.945 | 26.027 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.939 | 0.970 | 26.272 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | LYS | 1 | 0.736 | 0.830 | 19.898 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | 0.015 | 0.018 | 26.953 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLU | -1 | -0.957 | -0.972 | 30.150 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.045 | -0.010 | 26.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ALA | 0 | 0.009 | -0.005 | 28.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LYS | 1 | 0.923 | 0.959 | 30.256 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | THR | 0 | -0.106 | -0.052 | 33.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | VAL | 0 | -0.049 | -0.033 | 30.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | TYR | 0 | -0.007 | 0.012 | 31.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ASP | -1 | -0.815 | -0.912 | 33.167 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | VAL | 0 | -0.076 | -0.028 | 32.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLY | 0 | 0.015 | 0.029 | 29.680 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LEU | 0 | -0.028 | -0.030 | 26.759 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PRO | 0 | 0.091 | 0.070 | 22.005 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLN | 0 | 0.033 | -0.007 | 21.795 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ILE | 0 | -0.031 | -0.019 | 22.758 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 0.842 | 0.915 | 24.605 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ALA | 0 | 0.032 | 0.013 | 20.004 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ALA | 0 | -0.056 | -0.031 | 22.048 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LEU | 0 | 0.031 | 0.013 | 23.620 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | 0.015 | 0.026 | 21.796 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.907 | 0.960 | 17.832 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLY | 0 | 0.049 | 0.033 | 23.002 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LYS | 1 | 0.812 | 0.900 | 21.955 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.071 | 0.010 | 25.833 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | HIS | 0 | 0.025 | 0.009 | 29.288 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | TYR | 0 | -0.010 | 0.001 | 21.924 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | 0.051 | 0.022 | 27.139 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | LEU | 0 | 0.008 | 0.001 | 28.137 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ALA | 0 | -0.026 | -0.008 | 28.849 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ILE | 0 | -0.020 | -0.010 | 24.779 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | 0.004 | 0.002 | 29.387 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.814 | 0.899 | 32.510 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LYS | 1 | 0.931 | 0.980 | 27.262 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LYS | 1 | 0.931 | 0.956 | 27.450 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | TYR | 0 | 0.046 | 0.039 | 31.764 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | SER | 0 | 0.010 | -0.006 | 36.175 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.023 | 0.003 | 39.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | 0.021 | 0.006 | 42.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | MET | 0 | 0.040 | 0.023 | 36.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.892 | 0.944 | 37.421 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | -0.011 | 0.008 | 38.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ILE | 0 | -0.017 | -0.015 | 38.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLY | 0 | 0.074 | 0.032 | 35.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLU | -1 | -0.757 | -0.863 | 35.531 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LEU | 0 | -0.019 | -0.011 | 37.110 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | GLU | -1 | -0.791 | -0.902 | 35.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | VAL | 0 | 0.002 | -0.004 | 31.895 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | -0.005 | -0.001 | 34.324 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LEU | 0 | -0.025 | -0.022 | 37.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | TRP | 0 | 0.046 | 0.016 | 28.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | MET | 0 | -0.044 | -0.022 | 32.619 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.808 | 0.918 | 34.259 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ARG | 1 | 0.895 | 0.930 | 35.055 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | VAL | 0 | -0.061 | -0.010 | 30.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | -0.056 | -0.028 | 33.412 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ASN | 0 | 0.001 | -0.008 | 32.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | MET | 0 | 0.004 | -0.028 | 35.416 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | GLU | -1 | -0.783 | -0.868 | 33.692 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | TYR | 0 | -0.036 | -0.026 | 37.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.039 | -0.019 | 38.307 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ASP | -1 | -0.838 | -0.921 | 39.284 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | VAL | 0 | -0.054 | -0.025 | 35.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | -0.016 | -0.016 | 39.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASP | -1 | -0.841 | -0.903 | 42.060 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYN | 0 | -0.013 | -0.006 | 37.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.021 | -0.016 | 40.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | -0.071 | -0.048 | 41.997 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLU | -1 | -0.814 | -0.888 | 45.437 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | CYS | 0 | -0.166 | -0.066 | 42.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLU | -1 | -0.844 | -0.910 | 45.963 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | SER | 0 | -0.046 | -0.027 | 47.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | PRO | 0 | -0.023 | -0.001 | 45.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | ARG | 1 | 0.955 | 0.977 | 48.353 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | PHE | 0 | 0.032 | 0.001 | 46.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | THR | 0 | 0.020 | -0.001 | 47.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ASP | -1 | -0.719 | -0.875 | 49.567 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | VAL | 0 | 0.048 | 0.030 | 45.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ASN | 0 | 0.031 | 0.026 | 44.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | VAL | 0 | 0.025 | 0.018 | 46.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | GLN | 0 | -0.034 | -0.036 | 48.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | HIS | 0 | -0.004 | 0.005 | 39.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ILE | 0 | 0.039 | 0.018 | 44.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | -0.002 | 0.002 | 45.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ARG | 1 | 0.886 | 0.957 | 42.403 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | LEU | 0 | 0.033 | 0.018 | 39.778 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | -0.012 | -0.009 | 43.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | THR | 0 | -0.049 | -0.046 | 45.825 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | GLU | -1 | -0.871 | -0.923 | 41.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LEU | 0 | 0.017 | 0.015 | 40.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | GLY | 0 | -0.025 | 0.003 | 43.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | ASN | 0 | 0.021 | 0.007 | 46.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | LEU | 0 | 0.069 | 0.012 | 48.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ARG | 1 | 0.946 | 0.987 | 50.686 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ARG | 1 | 0.705 | 0.807 | 47.577 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ALA | 0 | 0.066 | 0.039 | 49.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LEU | 0 | 0.001 | 0.005 | 50.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LYS | 1 | 0.885 | 0.940 | 53.253 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | PHE | 0 | 0.056 | 0.027 | 48.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ALA | 0 | 0.057 | 0.027 | 52.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | LYS | 1 | 0.872 | 0.926 | 53.823 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLU | -1 | -0.915 | -0.943 | 54.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | ILE | 0 | -0.071 | -0.008 | 51.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | GLN | 0 | -0.007 | -0.013 | 54.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | ASN | 0 | -0.002 | 0.001 | 54.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | ILE | 0 | 0.040 | 0.015 | 56.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | HIS | 0 | 0.052 | 0.038 | 56.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | LYS | 1 | 0.857 | 0.900 | 50.173 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | ARG | 1 | 0.866 | 0.939 | 53.626 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | SER | 0 | -0.007 | -0.026 | 55.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | GLU | -1 | -0.817 | -0.887 | 51.481 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | ALA | 0 | -0.004 | -0.005 | 51.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | LEU | 0 | -0.013 | -0.013 | 52.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | LYS | 1 | 0.831 | 0.912 | 54.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ALA | 0 | 0.009 | 0.004 | 50.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ILE | 0 | -0.010 | -0.007 | 51.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | ALA | 0 | 0.015 | 0.008 | 53.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | LEU | 0 | -0.011 | -0.004 | 52.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | GLU | -1 | -0.837 | -0.902 | 48.777 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | LEU | 0 | -0.069 | -0.049 | 52.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | VAL | 0 | 0.014 | 0.011 | 55.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | ARG | 1 | 0.932 | 0.965 | 49.583 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ARG | 1 | 0.779 | 0.898 | 48.655 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | LYS | 1 | 0.941 | 0.974 | 53.961 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | LYS | 1 | 0.864 | 0.928 | 55.229 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | PHE | 0 | 0.085 | 0.027 | 58.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | GLU | -1 | -0.885 | -0.929 | 60.637 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | GLU | -1 | -0.833 | -0.921 | 60.040 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | VAL | 0 | -0.017 | 0.000 | 58.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | LYS | 1 | 0.948 | 0.978 | 61.348 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | LYS | 1 | 0.922 | 0.947 | 63.957 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | ILE | 0 | -0.024 | -0.007 | 57.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | ILE | 0 | 0.018 | 0.009 | 59.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | GLU | -1 | -0.952 | -0.984 | 62.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | SER | 0 | -0.065 | -0.026 | 61.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | ILE | 0 | -0.072 | -0.023 | 59.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | PRO | 0 | -0.028 | -0.020 | 60.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | ASP | -1 | -0.837 | -0.918 | 60.492 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | PRO | 0 | 0.022 | 0.007 | 62.538 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | LYS | 1 | 0.926 | 0.949 | 58.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ILE | 0 | 0.003 | -0.005 | 56.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | ARG | 1 | 0.825 | 0.904 | 60.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | GLU | -1 | -0.821 | -0.904 | 62.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | GLU | -1 | -0.849 | -0.892 | 57.570 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | ALA | 0 | 0.005 | -0.009 | 58.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | LEU | 0 | -0.050 | -0.018 | 59.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ASN | 0 | -0.063 | -0.042 | 61.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLU | -1 | -0.816 | -0.892 | 55.493 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ILE | 0 | -0.046 | -0.028 | 58.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | GLY | 0 | -0.058 | -0.021 | 59.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | THR | 0 | -0.046 | -0.007 | 55.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | ILE | 0 | -0.046 | -0.028 | 58.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | GLU | -1 | -0.940 | -0.969 | 54.876 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |