![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R5ZK8
Calculation Name: 1J5W-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1J5W
Chain ID: A
UniProt ID: Q9WY59
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 281 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4271912.284873 |
---|---|
FMO2-HF: Nuclear repulsion | 4156728.258597 |
FMO2-HF: Total energy | -115184.026275 |
FMO2-MP2: Total energy | -115523.298006 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F022595/ligand_interaction/ligand_F022595.png)
Ligand Interaction
![ligand interaction](./Kdata/F022595/ligand_interaction/ligand_interaction_F022595.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. |
-26.729 | -25.023 | 18.419 | -8.01 | -12.112 | 0 |
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 | LEU | 0 | 0.043 | 0.026 | 2.938 | -0.209 | 1.546 | 0.199 | -0.914 | -1.040 | -0.003 |
4 | A | 4 | GLN | 0 | -0.039 | -0.026 | 5.252 | -0.098 | 0.042 | -0.001 | -0.005 | -0.133 | 0.000 |
5 | A | 5 | ASP | -1 | -0.842 | -0.938 | 3.162 | 6.388 | 7.282 | 0.250 | -0.427 | -0.717 | 0.003 |
6 | A | 6 | VAL | 0 | -0.026 | -0.009 | 1.814 | 0.463 | -0.510 | 4.634 | -1.555 | -2.106 | -0.007 |
7 | A | 7 | ILE | 0 | 0.004 | 0.001 | 3.565 | -0.250 | -0.041 | 0.015 | -0.056 | -0.168 | -0.001 |
8 | A | 8 | MET | 0 | -0.052 | -0.011 | 6.892 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LYS | 1 | 0.977 | 0.987 | 2.393 | -21.139 | -25.492 | 10.249 | -2.850 | -3.046 | 0.027 |
10 | A | 10 | LEU | 0 | 0.032 | 0.024 | 7.435 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASN | 0 | 0.000 | 0.004 | 9.302 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASP | -1 | -0.897 | -0.949 | 10.449 | 2.142 | 2.142 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PHE | 0 | -0.006 | -0.003 | 10.472 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | TRP | 0 | 0.067 | 0.018 | 12.503 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | -0.010 | 0.013 | 15.005 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | SER | 0 | -0.098 | -0.058 | 14.865 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LYS | 1 | 0.797 | 0.894 | 14.989 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | -0.042 | -0.025 | 18.628 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | CYS | 0 | -0.079 | -0.023 | 18.093 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.006 | 0.002 | 19.652 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | -0.013 | -0.016 | 15.285 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.877 | -0.941 | 18.642 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLN | 0 | -0.064 | -0.034 | 17.545 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PRO | 0 | -0.024 | -0.009 | 16.604 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | TYR | 0 | -0.054 | -0.058 | 19.458 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ASP | -1 | -0.925 | -0.962 | 22.628 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | MET | 0 | -0.053 | -0.001 | 24.734 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.947 | -0.970 | 24.677 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | 0.003 | -0.004 | 22.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | GLY | 0 | 0.021 | 0.013 | 23.097 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.024 | -0.003 | 20.612 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.056 | 0.021 | 19.674 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | -0.040 | -0.042 | 20.523 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | PHE | 0 | -0.043 | -0.037 | 23.738 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | HIS | 0 | 0.094 | 0.088 | 21.153 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | PRO | 0 | 0.029 | 0.019 | 24.663 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ALA | 0 | 0.018 | 0.006 | 23.447 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | THR | 0 | -0.030 | -0.004 | 22.528 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.007 | 0.014 | 25.221 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PHE | 0 | 0.034 | -0.008 | 28.581 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLY | 0 | 0.000 | 0.014 | 27.366 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | SER | 0 | -0.014 | -0.035 | 27.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LEU | 0 | -0.049 | -0.023 | 29.006 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.911 | 0.980 | 29.145 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LYS | 1 | 0.911 | 0.959 | 32.794 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | 0.010 | 0.006 | 33.613 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | -0.014 | -0.019 | 28.720 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | TRP | 0 | -0.022 | -0.021 | 25.299 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | LYS | 1 | 0.873 | 0.937 | 22.050 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.011 | 0.015 | 20.755 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.037 | 0.018 | 15.435 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TYR | 0 | 0.014 | 0.007 | 15.645 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | VAL | 0 | 0.037 | 0.027 | 11.707 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLN | 0 | 0.029 | 0.000 | 14.491 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PRO | 0 | -0.032 | -0.004 | 16.646 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.041 | -0.022 | 17.660 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ARG | 1 | 0.879 | 0.947 | 19.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ARG | 1 | 0.843 | 0.898 | 20.956 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | PRO | 0 | 0.014 | 0.012 | 24.522 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | THR | 0 | -0.029 | -0.019 | 27.083 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.789 | -0.867 | 21.838 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | -0.022 | -0.030 | 24.756 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ARG | 1 | 0.899 | 0.918 | 25.712 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | TYR | 0 | -0.004 | 0.010 | 23.425 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | 0.015 | 0.000 | 28.268 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLU | -1 | -0.893 | -0.921 | 26.565 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASN | 0 | 0.031 | 0.000 | 20.179 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | PRO | 0 | 0.006 | 0.002 | 20.404 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASN | 0 | 0.007 | 0.000 | 16.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.793 | 0.948 | 18.297 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LEU | 0 | 0.018 | 0.005 | 15.360 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLN | 0 | -0.069 | -0.055 | 19.869 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ARG | 1 | 0.908 | 0.940 | 17.456 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | TYR | 0 | 0.004 | 0.021 | 14.440 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | PHE | 0 | -0.029 | -0.021 | 11.700 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLN | 0 | 0.084 | 0.056 | 12.703 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | TYR | 0 | -0.023 | -0.036 | 10.835 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.022 | -0.033 | 13.307 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.011 | 0.000 | 15.197 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ILE | 0 | -0.014 | -0.004 | 17.885 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.022 | -0.014 | 19.644 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.857 | 0.985 | 23.433 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | PRO | 0 | -0.012 | -0.049 | 27.219 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | SER | 0 | 0.023 | -0.011 | 25.750 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | -0.054 | -0.006 | 21.877 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLU | -1 | -0.937 | -0.976 | 24.884 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASN | 0 | -0.068 | -0.038 | 22.249 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | SER | 0 | 0.056 | 0.021 | 20.892 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLN | 0 | -0.012 | 0.000 | 18.988 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.815 | -0.903 | 17.200 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | 0.004 | 0.000 | 15.881 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | TYR | 0 | 0.047 | 0.033 | 12.660 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | LEU | 0 | 0.026 | 0.023 | 12.915 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLU | -1 | -0.800 | -0.872 | 11.244 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | SER | 0 | -0.053 | -0.026 | 10.113 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | 0.015 | -0.007 | 8.413 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLU | -1 | -0.774 | -0.884 | 6.692 | -0.980 | -0.980 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | TYR | 0 | -0.087 | -0.033 | 6.088 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LEU | 0 | -0.079 | -0.042 | 3.955 | 0.874 | 1.310 | 0.002 | -0.070 | -0.368 | 0.000 |
100 | A | 100 | GLY | 0 | -0.041 | -0.013 | 2.581 | -5.035 | -4.073 | 2.242 | -1.335 | -1.869 | -0.015 |
101 | A | 101 | ILE | 0 | -0.036 | -0.020 | 3.436 | -0.112 | -0.232 | 0.012 | 0.299 | -0.191 | 0.000 |
102 | A | 102 | ASN | 0 | -0.044 | -0.024 | 6.589 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | 0.019 | -0.016 | 9.678 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LYS | 1 | 0.760 | 0.888 | 11.740 | 0.662 | 0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | GLU | -1 | -0.910 | -0.952 | 9.887 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | HIS | 0 | 0.037 | 0.044 | 6.504 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ASP | -1 | -0.880 | -0.927 | 12.051 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | 0.026 | 0.019 | 11.139 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ARG | 1 | 0.898 | 0.961 | 15.158 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PHE | 0 | 0.007 | 0.004 | 17.502 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | VAL | 0 | -0.044 | -0.019 | 20.582 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLU | -1 | -0.971 | -0.986 | 23.497 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ASP | -1 | -0.802 | -0.909 | 25.241 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ASN | 0 | -0.118 | -0.059 | 27.247 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | TRP | 0 | 0.056 | 0.047 | 23.918 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLU | -1 | -0.900 | -0.966 | 27.487 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | SER | 0 | -0.028 | -0.010 | 27.234 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.066 | 0.018 | 29.417 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | -0.029 | -0.027 | 30.624 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | LEU | 0 | 0.060 | 0.034 | 27.411 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | -0.037 | -0.029 | 31.763 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ALA | 0 | -0.037 | -0.015 | 29.659 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | TRP | 0 | 0.049 | 0.033 | 30.069 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | 0.007 | -0.011 | 28.757 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | VAL | 0 | 0.003 | 0.018 | 28.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLY | 0 | 0.020 | 0.010 | 25.169 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TRP | 0 | -0.013 | 0.000 | 21.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLU | -1 | -0.799 | -0.860 | 20.494 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | VAL | 0 | -0.043 | -0.035 | 15.155 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | TRP | 0 | -0.107 | -0.086 | 16.669 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LEU | 0 | -0.011 | -0.013 | 8.874 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASP | -1 | -0.888 | -0.959 | 12.942 | -1.292 | -1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLY | 0 | -0.052 | -0.021 | 14.733 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | MET | 0 | -0.031 | -0.013 | 12.723 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLU | -1 | -0.874 | -0.903 | 15.346 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | 0.004 | -0.005 | 11.137 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | THR | 0 | -0.016 | -0.021 | 13.659 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLN | 0 | -0.012 | 0.017 | 15.994 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | -0.015 | -0.024 | 18.373 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | THR | 0 | 0.022 | -0.006 | 20.736 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | 0.001 | 0.012 | 23.984 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | -0.049 | -0.034 | 24.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLN | 0 | -0.001 | -0.013 | 28.791 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLN | 0 | -0.058 | -0.034 | 31.844 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | 0.048 | 0.040 | 29.098 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLY | 0 | 0.050 | 0.019 | 32.013 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | GLY | 0 | -0.077 | -0.051 | 34.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ILE | 0 | -0.074 | -0.033 | 35.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | 0.033 | 0.017 | 35.104 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.044 | -0.008 | 33.173 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LYS | 1 | 0.913 | 0.941 | 35.104 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASP | -1 | -0.912 | -0.947 | 31.854 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ILE | 0 | 0.042 | 0.019 | 28.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | -0.040 | -0.008 | 26.945 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | 0.016 | 0.019 | 21.217 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.770 | -0.874 | 20.570 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ILE | 0 | -0.029 | -0.003 | 15.850 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | THR | 0 | -0.013 | -0.005 | 16.071 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | TYR | 0 | 0.029 | -0.008 | 10.684 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLY | 0 | 0.023 | 0.021 | 12.681 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.043 | -0.039 | 7.685 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLU | -1 | -0.730 | -0.836 | 8.071 | -0.829 | -0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ARG | 1 | 0.830 | 0.895 | 9.330 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | 0.039 | 0.024 | 5.651 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ALA | 0 | -0.021 | -0.010 | 4.659 | -0.825 | -0.758 | -0.001 | -0.007 | -0.058 | 0.000 |
166 | A | 166 | MET | 0 | -0.034 | -0.014 | 5.584 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | TYR | 0 | -0.031 | -0.031 | 7.370 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LEU | 0 | -0.024 | -0.016 | 2.555 | -2.357 | -0.359 | 0.818 | -0.817 | -1.998 | -0.005 |
169 | A | 169 | GLN | 0 | -0.086 | -0.053 | 4.155 | 0.071 | 0.762 | 0.000 | -0.273 | -0.418 | 0.001 |
170 | A | 170 | GLY | 0 | 0.003 | 0.019 | 6.053 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | VAL | 0 | -0.077 | -0.024 | 9.078 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ASP | -1 | -0.853 | -0.934 | 11.252 | -0.945 | -0.945 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.041 | -0.028 | 14.266 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.091 | 0.026 | 12.098 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | TYR | 0 | -0.053 | -0.040 | 12.570 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLU | -1 | -0.888 | -0.956 | 12.861 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | VAL | 0 | -0.027 | 0.001 | 7.349 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLN | 0 | -0.014 | -0.003 | 6.815 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TRP | 0 | 0.016 | -0.008 | 7.008 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASN | 0 | 0.018 | -0.020 | 7.627 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLU | -1 | -0.877 | -0.922 | 9.264 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ASN | 0 | -0.072 | -0.048 | 10.227 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | -0.010 | 0.020 | 12.322 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LYS | 1 | 0.905 | 0.974 | 11.511 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | TYR | 0 | -0.036 | -0.062 | 11.589 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | -0.001 | -0.014 | 13.466 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ASP | -1 | -0.867 | -0.919 | 16.134 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | VAL | 0 | -0.081 | -0.029 | 15.489 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | 0.000 | -0.028 | 14.513 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | 0.011 | 0.039 | 18.843 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLU | -1 | -0.833 | -0.921 | 20.747 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ASN | 0 | -0.045 | -0.014 | 20.985 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLU | -1 | -0.774 | -0.885 | 19.867 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ARG | 1 | 0.880 | 0.950 | 22.867 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.874 | -0.939 | 26.003 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | -0.001 | -0.015 | 24.783 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | -0.035 | -0.014 | 25.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | VAL | 0 | 0.035 | 0.035 | 27.872 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PHE | 0 | -0.029 | -0.001 | 29.786 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASN | 0 | -0.030 | -0.053 | 26.378 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.031 | -0.028 | 27.660 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | GLU | -1 | -0.957 | -0.990 | 32.948 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLU | -1 | -0.913 | -0.961 | 34.527 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | -0.053 | 0.014 | 33.563 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | 0.021 | -0.008 | 35.586 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | VAL | 0 | 0.083 | 0.033 | 38.571 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLY | 0 | 0.011 | 0.009 | 39.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | -0.064 | -0.035 | 38.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | 0.043 | 0.023 | 35.017 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | PHE | 0 | -0.008 | -0.003 | 38.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ARG | 1 | 0.919 | 0.974 | 41.614 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | HIS | 0 | -0.018 | -0.032 | 37.810 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | PHE | 0 | 0.004 | 0.006 | 36.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASP | -1 | -0.799 | -0.899 | 39.482 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLU | -1 | -0.912 | -0.950 | 42.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | TYR | 0 | 0.017 | -0.018 | 35.876 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLU | -1 | -0.756 | -0.854 | 39.861 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.919 | 0.959 | 41.172 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLU | -1 | -0.829 | -0.877 | 40.815 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | PHE | 0 | 0.021 | 0.009 | 37.808 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | TYR | 0 | 0.032 | 0.004 | 40.493 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ARG | 1 | 0.809 | 0.884 | 43.684 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | -0.036 | -0.029 | 39.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | VAL | 0 | 0.009 | 0.001 | 39.694 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLU | -1 | -0.837 | -0.919 | 41.915 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LYS | 1 | 0.806 | 0.917 | 44.906 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.034 | 0.006 | 42.793 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.023 | 0.001 | 40.279 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | TYR | 0 | 0.052 | 0.001 | 34.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LEU | 0 | 0.028 | 0.032 | 32.030 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PRO | 0 | 0.024 | 0.005 | 34.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ALA | 0 | -0.015 | 0.001 | 36.297 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | TYR | 0 | -0.002 | -0.042 | 28.321 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASP | -1 | -0.764 | -0.863 | 30.945 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | TYR | 0 | -0.058 | -0.042 | 32.900 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ILE | 0 | -0.039 | -0.006 | 32.965 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LEU | 0 | -0.011 | 0.013 | 27.748 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.928 | 0.944 | 30.835 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | CYS | 0 | -0.047 | 0.006 | 32.922 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | SER | 0 | -0.019 | -0.012 | 29.534 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | HIS | 0 | 0.034 | 0.016 | 27.626 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | THR | 0 | -0.015 | -0.023 | 30.473 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | -0.045 | -0.030 | 32.699 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ASN | 0 | 0.017 | -0.001 | 28.428 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | LEU | 0 | 0.014 | 0.022 | 29.817 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LEU | 0 | -0.003 | 0.003 | 32.337 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ASP | -1 | -0.874 | -0.932 | 32.717 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ALA | 0 | 0.024 | 0.013 | 30.485 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.797 | 0.913 | 32.450 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLY | 0 | -0.106 | -0.035 | 35.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | -0.002 | 0.004 | 37.564 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ILE | 0 | -0.008 | -0.005 | 36.747 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | 0.012 | -0.014 | 40.668 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | VAL | 0 | 0.071 | 0.023 | 40.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.001 | 0.005 | 42.127 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLN | 0 | 0.112 | 0.074 | 42.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ARG | 1 | 0.915 | 0.943 | 32.973 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLN | 0 | -0.016 | 0.000 | 38.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | THR | 0 | -0.053 | -0.041 | 40.291 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | 0.010 | 0.005 | 37.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.023 | 0.019 | 34.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LYS | 1 | 0.917 | 0.952 | 36.876 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ARG | 1 | 0.712 | 0.821 | 39.783 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | 0.033 | 0.011 | 33.445 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLN | 0 | 0.023 | 0.033 | 35.811 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.072 | -0.043 | 36.781 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | MET | 0 | -0.022 | 0.001 | 37.278 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.054 | 0.030 | 34.001 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ARG | 1 | 0.885 | 0.933 | 35.818 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | LYS | 1 | 0.790 | 0.915 | 38.321 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | 0.033 | 0.008 | 35.807 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | 0.019 | 0.024 | 35.347 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.909 | 0.959 | 36.622 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | VAL | 0 | 0.023 | 0.024 | 40.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | PHE | 0 | -0.010 | -0.010 | 33.936 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | LEU | 0 | -0.022 | -0.023 | 36.802 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLU | -1 | -0.948 | -0.982 | 39.380 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | VAL | 0 | -0.023 | -0.018 | 40.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLN | 0 | -0.072 | -0.010 | 35.702 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | -0.060 | -0.042 | 39.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | 0.023 | 0.031 | 42.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |