![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: GYY41
Calculation Name: 5HFN-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5HFN
Chain ID: A
UniProt ID: Q9WXT2
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4241611.98337 |
---|---|
FMO2-HF: Nuclear repulsion | 4127762.008247 |
FMO2-HF: Total energy | -113849.975123 |
FMO2-MP2: Total energy | -114184.287157 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040889/ligand_interaction/ligand_F040889.png)
Ligand Interaction
![ligand interaction](./Kdata/F040889/ligand_interaction/ligand_interaction_F040889.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:2:ALA)
Summations of interaction energy for
fragment #1(A:2:ALA)
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. |
-2.148 | 0.094 | 1.754 | -1.537 | -2.46 | 0.002 |
Interaction energy analysis for fragmet #1(A:2:ALA)
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 | 4 | PHE | 0 | -0.012 | -0.005 | 3.592 | -1.594 | 0.391 | 0.008 | -1.055 | -0.939 | 0.003 |
4 | A | 5 | ASP | -1 | -0.725 | -0.818 | 5.584 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | LEU | 0 | -0.009 | -0.019 | 9.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | PRO | 0 | 0.049 | 0.023 | 10.884 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LEU | 0 | 0.024 | 0.002 | 11.893 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.844 | -0.899 | 13.570 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | GLU | -1 | -0.928 | -0.988 | 15.693 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | LEU | 0 | -0.040 | -0.007 | 11.697 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LYS | 1 | 0.924 | 0.954 | 16.250 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | LYS | 1 | 0.844 | 0.915 | 19.013 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | TYR | 0 | 0.005 | 0.030 | 18.321 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ARG | 1 | 0.906 | 0.941 | 20.409 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PRO | 0 | -0.001 | 0.020 | 21.130 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLU | -1 | -0.806 | -0.866 | 23.629 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.834 | 0.912 | 25.915 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | TYR | 0 | -0.044 | -0.043 | 25.879 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.791 | -0.879 | 29.561 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | GLU | -1 | -0.779 | -0.867 | 32.294 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | LYS | 1 | 0.852 | 0.918 | 35.575 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ASP | -1 | -0.726 | -0.836 | 38.395 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | PHE | 0 | -0.034 | 0.007 | 31.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | ASP | -1 | -0.779 | -0.901 | 36.599 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | GLU | -1 | -0.882 | -0.934 | 38.671 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | PHE | 0 | -0.010 | -0.005 | 35.026 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | TRP | 0 | -0.005 | -0.015 | 32.357 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | GLU | -1 | -0.936 | -0.961 | 38.213 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLU | -1 | -0.957 | -0.973 | 41.589 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | -0.065 | -0.039 | 37.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LEU | 0 | -0.017 | -0.018 | 37.535 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ALA | 0 | 0.076 | 0.044 | 41.342 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLU | -1 | -0.928 | -0.935 | 43.164 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | SER | 0 | 0.040 | 0.001 | 41.899 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | GLU | -1 | -0.890 | -0.936 | 43.465 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | LYS | 1 | 0.860 | 0.953 | 45.849 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | PHE | 0 | 0.013 | 0.017 | 46.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | PRO | 0 | -0.018 | 0.001 | 47.442 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | LEU | 0 | 0.009 | -0.012 | 42.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASP | -1 | -0.932 | -0.975 | 45.851 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PRO | 0 | 0.023 | 0.018 | 44.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | VAL | 0 | 0.005 | 0.007 | 45.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | PHE | 0 | 0.000 | -0.013 | 41.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLU | -1 | -0.928 | -0.962 | 45.025 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ARG | 1 | 0.919 | 0.975 | 44.811 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | MET | 0 | -0.018 | -0.002 | 39.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | GLU | -1 | -0.938 | -0.952 | 44.690 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | SER | 0 | -0.002 | -0.020 | 40.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | HIS | 0 | 0.011 | -0.001 | 40.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LEU | 0 | -0.044 | -0.016 | 36.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LYS | 1 | 0.936 | 0.964 | 40.740 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | THR | 0 | 0.031 | 0.010 | 37.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | VAL | 0 | 0.003 | 0.010 | 36.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLU | -1 | -0.960 | -0.974 | 40.460 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ALA | 0 | 0.013 | -0.013 | 39.654 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | TYR | 0 | 0.016 | 0.002 | 40.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASP | -1 | -0.811 | -0.928 | 40.321 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | VAL | 0 | -0.021 | -0.002 | 39.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | THR | 0 | 0.006 | 0.001 | 40.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | PHE | 0 | -0.004 | -0.006 | 36.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | SER | 0 | -0.009 | 0.014 | 42.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLY | 0 | 0.021 | 0.013 | 39.559 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | TYR | 0 | -0.001 | -0.024 | 38.057 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ARG | 1 | 0.732 | 0.824 | 40.130 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | GLY | 0 | 0.057 | 0.039 | 43.642 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLN | 0 | -0.018 | -0.001 | 40.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.868 | 0.935 | 42.082 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ILE | 0 | 0.005 | 0.018 | 36.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LYS | 1 | 0.911 | 0.951 | 37.872 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | GLY | 0 | 0.005 | 0.000 | 35.894 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | TRP | 0 | -0.078 | -0.036 | 33.627 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | LEU | 0 | 0.008 | 0.000 | 36.521 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LEU | 0 | -0.043 | -0.009 | 34.043 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | VAL | 0 | 0.057 | 0.020 | 37.850 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | PRO | 0 | -0.017 | 0.011 | 38.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | LYS | 1 | 0.890 | 0.936 | 40.195 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | LEU | 0 | -0.015 | -0.015 | 39.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | GLU | -1 | -0.933 | -0.959 | 44.213 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLU | -1 | -0.955 | -0.971 | 42.105 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLU | -1 | -0.922 | -0.963 | 46.215 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | LYS | 1 | 0.827 | 0.910 | 44.970 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | LEU | 0 | 0.038 | 0.025 | 40.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PRO | 0 | 0.003 | 0.025 | 36.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | CYS | 0 | -0.038 | -0.026 | 36.514 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | VAL | 0 | -0.003 | 0.005 | 29.708 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | 0.015 | -0.001 | 32.444 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLN | 0 | 0.018 | -0.002 | 26.063 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | TYR | 0 | -0.011 | -0.029 | 27.167 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ILE | 0 | -0.018 | 0.003 | 25.442 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | GLY | 0 | -0.013 | -0.027 | 23.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | TYR | 0 | -0.053 | -0.042 | 19.775 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ASN | 0 | 0.087 | 0.035 | 21.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLY | 0 | -0.011 | 0.009 | 24.016 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLY | 0 | 0.043 | 0.005 | 26.851 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ARG | 1 | 0.867 | 0.962 | 28.546 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | GLY | 0 | -0.016 | -0.005 | 30.412 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PHE | 0 | -0.004 | -0.001 | 31.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PRO | 0 | 0.050 | 0.017 | 32.558 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | HIS | 0 | -0.023 | -0.033 | 31.483 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ASP | -1 | -0.836 | -0.902 | 28.480 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | TRP | 0 | -0.063 | -0.031 | 26.228 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | 0.021 | 0.003 | 30.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | PHE | 0 | -0.034 | -0.013 | 26.650 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | TRP | 0 | 0.063 | 0.019 | 27.114 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | PRO | 0 | 0.023 | 0.013 | 31.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | SER | 0 | -0.042 | -0.020 | 32.620 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | MET | 0 | -0.091 | -0.031 | 28.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLY | 0 | 0.014 | 0.008 | 33.594 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | TYR | 0 | -0.031 | -0.019 | 33.406 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ILE | 0 | 0.018 | 0.008 | 35.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | CYS | 0 | -0.040 | -0.007 | 31.772 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | PHE | 0 | 0.031 | 0.016 | 34.397 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | -0.009 | 0.004 | 30.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | MET | 0 | -0.002 | -0.003 | 31.591 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ASP | -1 | -0.858 | -0.939 | 31.036 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | THR | 0 | -0.068 | -0.020 | 28.283 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 156 | TYR | 0 | 0.013 | 0.010 | 28.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 157 | TYR | 0 | 0.087 | 0.001 | 25.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 158 | ARG | 1 | 0.958 | 0.994 | 30.914 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 159 | ARG | 1 | 0.818 | 0.913 | 34.368 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 160 | VAL | 0 | 0.023 | 0.011 | 29.285 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 161 | PHE | 0 | 0.033 | 0.002 | 27.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 162 | THR | 0 | 0.000 | 0.001 | 32.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 163 | ASP | -1 | -0.804 | -0.910 | 34.521 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 164 | ALA | 0 | 0.017 | 0.006 | 31.891 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 165 | VAL | 0 | 0.028 | 0.023 | 33.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 166 | ARG | 1 | 0.844 | 0.929 | 36.124 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 167 | ALA | 0 | 0.030 | 0.011 | 35.085 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 168 | VAL | 0 | -0.029 | -0.002 | 34.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 169 | GLU | -1 | -0.883 | -0.947 | 37.457 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 170 | ALA | 0 | -0.002 | 0.004 | 39.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 171 | ALA | 0 | 0.006 | 0.011 | 37.867 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 172 | ALA | 0 | -0.020 | -0.020 | 39.994 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 173 | SER | 0 | -0.094 | -0.047 | 42.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 174 | PHE | 0 | 0.026 | 0.019 | 43.032 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 175 | PRO | 0 | 0.028 | 0.010 | 44.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 176 | GLN | 0 | 0.013 | -0.001 | 44.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 177 | VAL | 0 | -0.014 | 0.004 | 40.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 178 | ASP | -1 | -0.852 | -0.929 | 41.534 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 179 | GLN | 0 | -0.021 | -0.039 | 40.895 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 180 | GLU | -1 | -0.927 | -0.953 | 40.958 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 181 | ARG | 1 | 0.822 | 0.914 | 37.561 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 182 | ILE | 0 | 0.025 | 0.028 | 35.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 183 | VAL | 0 | -0.021 | -0.014 | 30.249 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 184 | ILE | 0 | -0.027 | 0.002 | 29.837 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 185 | ALA | 0 | 0.037 | 0.001 | 26.357 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 186 | GLY | 0 | 0.016 | 0.006 | 24.469 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 187 | GLY | 0 | 0.060 | 0.041 | 20.286 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 188 | SER | 0 | 0.013 | 0.005 | 17.650 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 189 | GLN | 0 | 0.037 | 0.046 | 19.184 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 190 | GLY | 0 | 0.042 | 0.015 | 22.275 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 191 | GLY | 0 | -0.005 | 0.016 | 21.713 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 192 | GLY | 0 | 0.043 | 0.003 | 22.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 193 | ILE | 0 | -0.011 | -0.008 | 23.613 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 194 | ALA | 0 | -0.010 | -0.008 | 25.868 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 195 | LEU | 0 | 0.016 | 0.012 | 23.410 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 196 | ALA | 0 | 0.022 | 0.038 | 26.808 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 197 | VAL | 0 | -0.006 | -0.008 | 29.482 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 198 | SER | 0 | -0.098 | -0.084 | 29.332 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 199 | ALA | 0 | -0.030 | -0.018 | 31.528 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 200 | LEU | 0 | -0.009 | 0.014 | 33.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 201 | SER | 0 | -0.046 | -0.014 | 35.276 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 202 | LYS | 1 | 0.857 | 0.909 | 37.072 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 203 | LYS | 1 | 0.908 | 0.951 | 39.398 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 204 | ALA | 0 | 0.023 | 0.026 | 34.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 205 | LYS | 1 | 0.943 | 0.974 | 35.643 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 206 | ALA | 0 | -0.001 | 0.003 | 31.116 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 207 | LEU | 0 | -0.016 | 0.000 | 26.023 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 208 | LEU | 0 | -0.033 | -0.007 | 24.961 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 209 | CYS | 0 | -0.008 | -0.008 | 22.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 210 | ASP | -1 | -0.759 | -0.852 | 18.468 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 211 | VAL | 0 | -0.052 | -0.037 | 14.009 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 212 | PRO | 0 | 0.026 | 0.021 | 16.357 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 213 | PHE | 0 | 0.019 | -0.020 | 17.839 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 214 | LEU | 0 | -0.050 | -0.014 | 19.262 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 215 | CYS | 0 | -0.011 | 0.010 | 19.199 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 216 | HIS | 0 | 0.023 | -0.010 | 18.552 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 217 | PHE | 0 | 0.067 | 0.025 | 19.268 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 218 | ARG | 1 | 0.952 | 0.973 | 19.584 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 219 | ARG | 1 | 0.863 | 0.955 | 13.419 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 220 | ALA | 0 | 0.027 | 0.003 | 14.976 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 221 | VAL | 0 | -0.008 | -0.011 | 14.590 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 222 | GLN | 0 | -0.052 | -0.018 | 15.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 223 | LEU | 0 | -0.042 | -0.009 | 10.174 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 224 | VAL | 0 | -0.066 | -0.025 | 9.377 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 225 | ASP | -1 | -0.952 | -0.963 | 11.208 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 226 | THR | 0 | 0.003 | -0.029 | 10.710 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 227 | HIS | 0 | -0.072 | -0.010 | 13.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 228 | PRO | 0 | 0.081 | 0.008 | 15.697 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 229 | TYR | 0 | 0.060 | 0.015 | 15.339 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 230 | ALA | 0 | 0.024 | 0.017 | 16.101 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 231 | GLU | -1 | -0.927 | -0.978 | 17.949 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 232 | ILE | 0 | -0.011 | 0.006 | 20.854 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 233 | THR | 0 | 0.045 | 0.016 | 17.616 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 234 | ASN | 0 | -0.005 | -0.014 | 19.950 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 235 | PHE | 0 | 0.010 | 0.023 | 22.644 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 236 | LEU | 0 | 0.022 | -0.005 | 22.798 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 237 | LYS | 1 | 0.902 | 0.954 | 18.650 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 238 | THR | 0 | -0.059 | -0.023 | 24.832 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 239 | HIS | 0 | -0.088 | -0.022 | 28.182 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 240 | ARG | 1 | 0.980 | 0.973 | 27.114 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 241 | ASP | -1 | -0.903 | -0.941 | 29.447 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 242 | LYS | 1 | 0.932 | 0.964 | 30.318 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 243 | GLU | -1 | -0.902 | -0.957 | 25.383 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 244 | GLU | -1 | -0.887 | -0.933 | 28.526 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 245 | ILE | 0 | 0.041 | 0.006 | 30.821 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 246 | VAL | 0 | 0.016 | 0.028 | 26.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 247 | PHE | 0 | 0.017 | -0.013 | 22.376 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 248 | ARG | 1 | 0.782 | 0.874 | 27.674 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 249 | THR | 0 | -0.029 | 0.011 | 30.697 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 250 | LEU | 0 | -0.025 | -0.023 | 24.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 251 | SER | 0 | -0.080 | -0.053 | 27.778 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 252 | TYR | 0 | -0.041 | -0.057 | 29.073 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 253 | PHE | 0 | -0.042 | -0.042 | 27.802 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 254 | ASP | -1 | -0.812 | -0.890 | 24.119 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 255 | GLY | 0 | 0.061 | 0.006 | 24.214 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 256 | VAL | 0 | -0.019 | -0.027 | 22.749 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 257 | ASN | 0 | -0.017 | 0.000 | 25.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 258 | PHE | 0 | 0.018 | 0.023 | 28.034 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 259 | ALA | 0 | 0.004 | 0.004 | 25.837 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 260 | ALA | 0 | -0.028 | -0.010 | 27.940 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 261 | ARG | 1 | 0.686 | 0.796 | 30.209 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 262 | ALA | 0 | -0.003 | 0.021 | 30.076 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 263 | LYS | 1 | 0.920 | 0.954 | 32.087 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 264 | ILE | 0 | -0.009 | 0.011 | 31.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 265 | PRO | 0 | 0.018 | 0.029 | 31.001 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 266 | ALA | 0 | 0.003 | -0.001 | 26.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 267 | LEU | 0 | -0.037 | 0.000 | 22.633 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 268 | PHE | 0 | 0.034 | 0.001 | 20.002 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 269 | SER | 0 | -0.057 | -0.066 | 16.919 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 270 | VAL | 0 | 0.000 | 0.002 | 12.616 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 271 | GLY | 0 | 0.059 | 0.037 | 10.586 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 272 | LEU | 0 | -0.068 | -0.043 | 7.799 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 273 | MET | 0 | -0.015 | 0.003 | 2.394 | -1.145 | -0.888 | 1.746 | -0.482 | -1.521 | -0.001 |
235 | A | 274 | ASP | -1 | -0.730 | -0.843 | 5.613 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 275 | ASN | 0 | 0.031 | 0.005 | 6.709 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 276 | ILE | 0 | -0.005 | 0.042 | 8.663 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 277 | CYS | 0 | -0.097 | -0.046 | 12.051 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 278 | PRO | 0 | 0.038 | 0.048 | 10.577 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 279 | PRO | 0 | 0.030 | 0.029 | 9.407 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 280 | SER | 0 | -0.020 | -0.046 | 12.428 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 281 | THR | 0 | -0.071 | -0.054 | 14.749 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 282 | VAL | 0 | 0.033 | 0.019 | 14.992 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 283 | PHE | 0 | -0.002 | -0.027 | 14.016 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 284 | ALA | 0 | -0.002 | 0.025 | 18.103 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 285 | ALA | 0 | 0.046 | 0.015 | 20.481 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 286 | TYR | 0 | 0.019 | 0.011 | 20.397 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 287 | ASN | 0 | -0.051 | -0.051 | 20.053 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 288 | TYR | 0 | -0.090 | -0.083 | 23.564 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 289 | TYR | 0 | -0.092 | -0.047 | 25.486 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 290 | ALA | 0 | -0.006 | -0.004 | 27.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 291 | GLY | 0 | 0.033 | 0.038 | 30.287 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 292 | PRO | 0 | -0.045 | -0.023 | 29.781 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 293 | LYS | 1 | 0.823 | 0.918 | 25.140 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 294 | GLU | -1 | -0.794 | -0.884 | 23.667 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 295 | ILE | 0 | -0.012 | -0.003 | 17.165 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 296 | ARG | 1 | 0.767 | 0.877 | 17.974 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 297 | ILE | 0 | -0.005 | -0.014 | 12.456 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 298 | TYR | 0 | 0.015 | -0.013 | 11.878 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 299 | PRO | 0 | -0.005 | -0.016 | 8.656 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 300 | TYR | 0 | 0.002 | -0.013 | 5.515 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 301 | ASN | 0 | -0.057 | -0.020 | 6.776 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 302 | ASN | 0 | 0.051 | 0.019 | 5.855 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 303 | HIS | 1 | 0.793 | 0.856 | 8.230 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 304 | GLU | -1 | -0.810 | -0.891 | 10.307 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 305 | GLY | 0 | -0.017 | -0.007 | 12.157 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 306 | GLY | 0 | 0.041 | -0.002 | 13.335 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 307 | GLY | 0 | 0.012 | 0.012 | 15.582 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 308 | SER | 0 | 0.029 | -0.014 | 17.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 309 | PHE | 0 | -0.022 | 0.004 | 17.775 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 310 | GLN | 0 | 0.068 | 0.045 | 18.156 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 311 | ALA | 0 | 0.037 | 0.029 | 20.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 312 | VAL | 0 | 0.013 | 0.006 | 23.153 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 313 | GLU | -1 | -0.854 | -0.925 | 20.720 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 314 | GLN | 0 | 0.021 | 0.010 | 22.832 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 315 | VAL | 0 | -0.010 | 0.006 | 25.703 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 316 | LYS | 1 | 0.833 | 0.918 | 24.338 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 317 | PHE | 0 | -0.031 | -0.012 | 26.499 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 318 | LEU | 0 | 0.036 | 0.015 | 28.547 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 319 | LYS | 1 | 0.909 | 0.961 | 31.323 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 320 | LYS | 1 | 0.848 | 0.924 | 28.101 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 321 | LEU | 0 | -0.048 | -0.024 | 32.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 322 | PHE | 0 | -0.016 | -0.012 | 34.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 323 | GLU | -1 | -0.951 | -0.958 | 36.318 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |