FMODB ID: 4JQLN
Calculation Name: 1STZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1STZ
Chain ID: A
UniProt ID: Q9WZV5
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 | 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 | 323 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4775802.223821 |
---|---|
FMO2-HF: Nuclear repulsion | 4646601.055108 |
FMO2-HF: Total energy | -129201.168712 |
FMO2-MP2: Total energy | -129583.834217 |
3D Structure
Ligand structure
Ligand Interaction
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:14:LYS)
Summations of interaction energy for
fragment #1(A:14:LYS)
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. |
81.576 | 84.986 | 0.855 | -1.479 | -2.788 | -0.001 |
Interaction energy analysis for fragmet #1(A:14:LYS)
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 | 16 | ASN | 0 | -0.021 | -0.022 | 3.662 | -3.989 | -2.145 | -0.005 | -0.883 | -0.956 | 0.000 |
4 | A | 17 | ASP | -1 | -0.799 | -0.905 | 6.439 | -32.462 | -32.462 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 18 | ARG | 1 | 0.825 | 0.915 | 8.667 | 22.241 | 22.241 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 19 | GLN | 0 | 0.011 | -0.003 | 6.426 | -3.109 | -3.109 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 20 | ARG | 1 | 0.992 | 1.006 | 2.278 | 60.339 | 61.558 | 0.861 | -0.546 | -1.534 | -0.001 |
8 | A | 21 | LYS | 1 | 1.012 | 1.014 | 8.927 | 21.218 | 21.218 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 22 | VAL | 0 | -0.006 | -0.004 | 12.176 | 1.335 | 1.335 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 23 | LEU | 0 | -0.033 | -0.018 | 9.232 | 1.268 | 1.268 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 24 | TYR | 0 | -0.033 | -0.064 | 12.342 | 1.546 | 1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 25 | CYS | 0 | -0.003 | -0.005 | 14.213 | 1.405 | 1.405 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 26 | ILE | 0 | -0.005 | 0.006 | 14.230 | 0.921 | 0.921 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 27 | VAL | 0 | 0.021 | 0.009 | 14.597 | 0.910 | 0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 28 | ARG | 1 | 0.963 | 0.985 | 17.667 | 16.284 | 16.284 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 29 | GLU | -1 | -0.847 | -0.925 | 19.819 | -11.857 | -11.857 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 30 | TYR | 0 | -0.058 | -0.040 | 20.342 | 0.680 | 0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 31 | ILE | 0 | -0.026 | -0.011 | 19.563 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 32 | GLU | -1 | -0.949 | -0.960 | 23.311 | -10.881 | -10.881 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 33 | ASN | 0 | -0.042 | -0.038 | 25.643 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 34 | LYS | 1 | 0.872 | 0.948 | 25.335 | 11.669 | 11.669 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 35 | LYS | 1 | 0.964 | 0.975 | 25.191 | 10.470 | 10.470 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | PRO | 0 | -0.026 | -0.016 | 22.263 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 37 | VAL | 0 | 0.026 | 0.032 | 19.543 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 38 | SER | 0 | -0.017 | -0.017 | 19.851 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 39 | SER | 0 | 0.042 | -0.055 | 19.242 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 40 | GLN | 0 | 0.027 | 0.043 | 20.194 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 41 | ARG | 1 | 1.016 | 1.032 | 22.638 | 11.913 | 11.913 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 42 | VAL | 0 | 0.003 | -0.001 | 17.386 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 43 | LEU | 0 | -0.035 | 0.003 | 19.861 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 44 | GLU | -1 | -0.934 | -0.952 | 22.166 | -10.925 | -10.925 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 45 | VAL | 0 | -0.072 | -0.016 | 21.627 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 46 | SER | 0 | -0.077 | -0.071 | 19.564 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 47 | ASN | 0 | 0.049 | 0.014 | 20.851 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 48 | ILE | 0 | -0.052 | -0.013 | 15.863 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 49 | GLU | -1 | -0.879 | -0.944 | 18.083 | -16.152 | -16.152 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 50 | PHE | 0 | 0.009 | -0.007 | 15.673 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 51 | SER | 0 | 0.050 | 0.035 | 19.218 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 52 | SER | 0 | 0.065 | 0.021 | 19.047 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 53 | ALA | 0 | 0.016 | -0.011 | 19.378 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 54 | THR | 0 | -0.036 | -0.028 | 14.343 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 55 | ILE | 0 | 0.068 | 0.049 | 14.335 | -1.120 | -1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 56 | ARG | 1 | 0.972 | 0.976 | 15.097 | 12.511 | 12.511 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 57 | ASN | 0 | -0.024 | -0.018 | 12.772 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 58 | ASP | -1 | -0.770 | -0.875 | 10.483 | -23.177 | -23.177 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | MET | 0 | -0.012 | -0.008 | 10.799 | -1.154 | -1.154 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | LYS | 1 | 0.882 | 0.954 | 12.728 | 16.794 | 16.794 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | LYS | 1 | 0.968 | 1.002 | 3.599 | 35.923 | 36.105 | -0.001 | -0.030 | -0.152 | 0.000 |
49 | A | 62 | LEU | 0 | -0.030 | -0.023 | 7.817 | -1.349 | -1.349 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | GLU | -1 | -0.885 | -0.945 | 9.531 | -16.746 | -16.746 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | TYR | 0 | -0.019 | 0.000 | 8.276 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | LEU | 0 | -0.038 | -0.017 | 4.083 | -1.084 | -0.919 | 0.000 | -0.020 | -0.146 | 0.000 |
53 | A | 66 | GLY | 0 | 0.030 | 0.022 | 8.158 | -1.499 | -1.499 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 67 | TYR | 0 | -0.030 | -0.010 | 5.069 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 68 | ILE | 0 | -0.017 | -0.019 | 11.077 | 0.817 | 0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 69 | TYR | 0 | 0.051 | 0.025 | 14.283 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 70 | GLN | 0 | -0.009 | -0.025 | 17.260 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 71 | PRO | 0 | -0.049 | -0.013 | 20.271 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 72 | HIS | 0 | 0.089 | 0.047 | 23.572 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 73 | THR | 0 | 0.046 | 0.013 | 25.017 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 74 | SER | 0 | -0.050 | -0.001 | 23.653 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 75 | ALA | 0 | 0.048 | 0.004 | 23.096 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 76 | GLY | 0 | -0.023 | -0.014 | 21.326 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 77 | ARG | 1 | 0.810 | 0.916 | 16.752 | 14.510 | 14.510 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 78 | ILE | 0 | 0.057 | 0.036 | 18.545 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 79 | PRO | 0 | -0.007 | 0.010 | 15.600 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 80 | THR | 0 | 0.001 | -0.014 | 13.332 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 81 | ASP | -1 | -0.673 | -0.836 | 15.951 | -16.092 | -16.092 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 82 | LYS | 1 | 0.835 | 0.930 | 7.261 | 30.618 | 30.618 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 83 | GLY | 0 | -0.002 | 0.001 | 11.673 | -1.951 | -1.951 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 84 | LEU | 0 | -0.006 | 0.001 | 12.920 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 85 | ARG | 1 | 0.798 | 0.893 | 11.006 | 20.626 | 20.626 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 86 | PHE | 0 | -0.023 | -0.025 | 6.266 | -1.755 | -1.755 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 87 | TYR | 0 | 0.010 | -0.005 | 10.309 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 88 | TYR | 0 | 0.012 | 0.001 | 13.230 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 89 | GLU | -1 | -0.862 | -0.939 | 9.794 | -24.205 | -24.205 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 90 | GLU | -1 | -0.985 | -0.994 | 8.027 | -32.883 | -32.883 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 91 | MET | 0 | -0.010 | 0.053 | 11.703 | 1.104 | 1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 92 | LEU | 0 | 0.034 | 0.029 | 14.301 | 0.903 | 0.903 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 93 | LYS | 1 | 0.910 | 0.953 | 8.444 | 30.614 | 30.614 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | ILE | 0 | 0.041 | 0.014 | 13.997 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | SER | 0 | -0.012 | -0.012 | 16.466 | 1.129 | 1.129 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | LYS | 1 | 0.880 | 0.950 | 16.064 | 17.544 | 17.544 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 97 | GLU | -1 | -0.990 | -0.969 | 16.559 | -17.947 | -17.947 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 98 | THR | 0 | -0.025 | -0.019 | 20.133 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 99 | SER | 0 | -0.019 | -0.012 | 23.265 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 100 | GLU | -1 | -0.881 | -0.959 | 25.563 | -10.885 | -10.885 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 101 | ALA | 0 | -0.018 | -0.001 | 27.033 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 102 | ASP | -1 | -0.861 | -0.928 | 29.170 | -10.450 | -10.450 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 103 | LEU | 0 | 0.070 | 0.013 | 31.067 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 104 | ALA | 0 | -0.011 | 0.000 | 33.699 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 105 | VAL | 0 | -0.003 | 0.001 | 30.572 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 106 | GLU | -1 | -0.895 | -0.943 | 33.167 | -9.123 | -9.123 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 107 | THR | 0 | -0.153 | -0.070 | 35.536 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 108 | PHE | 0 | -0.033 | -0.022 | 36.490 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 109 | LYS | 1 | 0.924 | 0.959 | 38.325 | 7.099 | 7.099 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 110 | SER | 0 | 0.079 | 0.036 | 40.801 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 111 | MET | 0 | -0.030 | -0.003 | 42.558 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 112 | PRO | 0 | 0.004 | -0.002 | 45.141 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 113 | LEU | 0 | -0.054 | -0.032 | 44.896 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 114 | ALA | 0 | 0.073 | 0.030 | 46.811 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 115 | ASP | -1 | -0.880 | -0.930 | 48.090 | -6.551 | -6.551 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 116 | PRO | 0 | 0.010 | -0.009 | 43.987 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 117 | GLU | -1 | -0.762 | -0.850 | 43.205 | -7.417 | -7.417 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 118 | LYS | 1 | 0.961 | 0.978 | 43.860 | 6.636 | 6.636 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 119 | VAL | 0 | 0.008 | 0.004 | 40.091 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 120 | LEU | 0 | 0.002 | -0.001 | 38.239 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 121 | PHE | 0 | 0.010 | 0.008 | 39.265 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 122 | LEU | 0 | -0.046 | -0.016 | 40.610 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 123 | ALA | 0 | 0.028 | 0.025 | 35.789 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 124 | GLY | 0 | 0.034 | 0.013 | 35.603 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 125 | ASN | 0 | -0.020 | -0.040 | 35.928 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 126 | LEU | 0 | -0.048 | -0.012 | 35.121 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 127 | LEU | 0 | 0.030 | 0.012 | 29.363 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 128 | ALA | 0 | 0.025 | 0.024 | 32.117 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 129 | ARG | 1 | 0.923 | 0.960 | 33.703 | 7.959 | 7.959 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 130 | LEU | 0 | -0.024 | -0.012 | 31.795 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 131 | THR | 0 | -0.077 | -0.056 | 28.369 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 132 | GLU | -1 | -0.945 | -0.957 | 29.494 | -10.279 | -10.279 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 133 | GLY | 0 | 0.006 | 0.004 | 30.577 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 134 | TYR | 0 | -0.045 | -0.012 | 31.384 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 135 | VAL | 0 | -0.003 | -0.013 | 31.796 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 136 | LEU | 0 | 0.015 | 0.019 | 32.970 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 137 | ILE | 0 | -0.013 | -0.010 | 33.485 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 138 | GLU | -1 | -0.879 | -0.935 | 35.282 | -8.604 | -8.604 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 139 | ARG | 1 | 0.802 | 0.885 | 37.110 | 7.319 | 7.319 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 140 | PRO | 0 | 0.069 | 0.036 | 40.205 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 141 | ASN | 0 | 0.013 | -0.005 | 40.731 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 142 | THR | 0 | 0.063 | 0.024 | 42.692 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 143 | ARG | 1 | 0.935 | 0.968 | 42.099 | 7.477 | 7.477 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 144 | ASP | -1 | -0.958 | -0.990 | 44.114 | -7.115 | -7.115 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 145 | LEU | 0 | 0.061 | 0.047 | 45.825 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 146 | LYS | 1 | 0.926 | 0.954 | 47.923 | 6.265 | 6.265 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 147 | ILE | 0 | 0.034 | 0.033 | 51.159 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 148 | LEU | 0 | -0.025 | -0.017 | 50.741 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 149 | ARG | 1 | 0.907 | 0.945 | 54.899 | 5.494 | 5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 150 | VAL | 0 | 0.022 | 0.017 | 56.992 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 151 | MET | 0 | -0.065 | -0.006 | 56.935 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 152 | LEU | 0 | -0.030 | -0.023 | 61.074 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 153 | ILE | 0 | 0.035 | 0.014 | 61.139 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 154 | PRO | 0 | -0.009 | -0.011 | 64.911 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 155 | VAL | 0 | -0.018 | 0.000 | 64.177 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 156 | SER | 0 | -0.034 | -0.025 | 67.492 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 157 | GLU | -1 | -0.970 | -0.992 | 70.833 | -4.203 | -4.203 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 158 | ASP | -1 | -0.870 | -0.914 | 70.831 | -4.419 | -4.419 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 159 | TYR | 0 | -0.093 | -0.044 | 65.987 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 160 | LEU | 0 | 0.017 | 0.015 | 64.093 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 161 | ILE | 0 | -0.006 | -0.007 | 59.629 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 162 | PHE | 0 | 0.034 | 0.020 | 57.054 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 163 | SER | 0 | 0.000 | -0.002 | 55.618 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 164 | ILE | 0 | 0.010 | 0.002 | 52.241 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 165 | LEU | 0 | -0.044 | -0.022 | 52.146 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 166 | THR | 0 | -0.003 | 0.001 | 47.873 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 167 | GLU | -1 | -0.884 | -0.969 | 44.844 | -7.114 | -7.114 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 168 | PHE | 0 | 0.063 | 0.027 | 42.024 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 169 | GLY | 0 | 0.042 | 0.022 | 45.933 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 170 | VAL | 0 | -0.029 | -0.018 | 48.922 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 171 | SER | 0 | 0.011 | -0.009 | 49.436 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 172 | LYS | 1 | 0.923 | 0.963 | 50.000 | 6.430 | 6.430 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 173 | VAL | 0 | -0.004 | 0.018 | 53.102 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 174 | THR | 0 | -0.007 | -0.009 | 55.355 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 175 | PRO | 0 | -0.021 | -0.013 | 58.129 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 176 | ILE | 0 | -0.022 | -0.006 | 61.345 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 177 | LYS | 1 | 0.971 | 0.977 | 64.248 | 4.781 | 4.781 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 178 | THR | 0 | -0.052 | -0.035 | 67.645 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 179 | GLN | 0 | 0.009 | -0.001 | 70.706 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 180 | GLU | -1 | -0.881 | -0.928 | 73.951 | -4.041 | -4.041 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 181 | ARG | 1 | 0.925 | 0.969 | 73.262 | 4.255 | 4.255 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 182 | LEU | 0 | 0.022 | 0.019 | 71.465 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 183 | ASN | 0 | 0.020 | -0.004 | 73.855 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 184 | TRP | 0 | 0.054 | 0.008 | 68.938 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 185 | GLU | -1 | -0.888 | -0.941 | 69.019 | -4.566 | -4.566 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 186 | GLU | -1 | -0.974 | -0.988 | 69.592 | -4.333 | -4.333 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 187 | ILE | 0 | 0.019 | 0.008 | 67.248 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 188 | GLU | -1 | -0.844 | -0.915 | 64.133 | -5.070 | -5.070 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 189 | ARG | 1 | 0.927 | 0.966 | 65.226 | 4.448 | 4.448 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 190 | GLN | 0 | 0.005 | 0.007 | 66.405 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 191 | LEU | 0 | 0.021 | -0.003 | 62.639 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 192 | ASN | 0 | -0.036 | -0.035 | 61.077 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 193 | PHE | 0 | -0.046 | -0.023 | 62.125 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 194 | LEU | 0 | -0.013 | 0.003 | 63.046 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 195 | LEU | 0 | 0.013 | -0.001 | 58.203 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 196 | ARG | 1 | 0.925 | 0.982 | 57.490 | 5.212 | 5.212 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 197 | GLY | 0 | -0.061 | -0.025 | 55.566 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 198 | ARG | 1 | 0.842 | 0.927 | 55.044 | 5.490 | 5.490 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 199 | THR | 0 | -0.017 | -0.008 | 50.129 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 200 | VAL | 0 | 0.051 | 0.017 | 49.719 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 201 | GLY | 0 | 0.004 | 0.003 | 49.713 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 202 | GLU | -1 | -0.859 | -0.939 | 50.455 | -5.820 | -5.820 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 203 | VAL | 0 | 0.008 | 0.002 | 53.838 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 204 | LEU | 0 | -0.010 | 0.008 | 49.512 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 205 | MET | 0 | -0.077 | -0.028 | 50.864 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 206 | GLY | 0 | 0.044 | 0.033 | 54.263 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 207 | LYS | 1 | 0.896 | 0.944 | 53.563 | 6.010 | 6.010 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 208 | ILE | 0 | -0.042 | -0.007 | 57.676 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 209 | GLU | -1 | -0.867 | -0.936 | 60.851 | -4.986 | -4.986 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 210 | SER | 0 | -0.052 | -0.033 | 63.846 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 211 | LEU | 0 | 0.019 | 0.011 | 60.086 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 212 | LYS | 1 | 0.897 | 0.943 | 61.760 | 5.204 | 5.204 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 213 | GLY | 0 | -0.018 | 0.006 | 66.485 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 214 | SER | 0 | 0.011 | -0.002 | 68.868 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 215 | GLY | 0 | 0.003 | -0.005 | 68.441 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 216 | PHE | 0 | 0.056 | 0.021 | 65.664 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 217 | LEU | 0 | -0.001 | -0.002 | 64.937 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 218 | ARG | 1 | 0.981 | 0.990 | 63.745 | 4.651 | 4.651 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 219 | LEU | 0 | 0.001 | 0.015 | 62.110 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 220 | ILE | 0 | 0.052 | 0.028 | 60.214 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 221 | GLU | -1 | -0.895 | -0.945 | 58.891 | -5.430 | -5.430 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 222 | SER | 0 | -0.093 | -0.055 | 57.810 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 223 | LEU | 0 | 0.022 | 0.011 | 56.717 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 224 | ILE | 0 | -0.019 | -0.010 | 54.038 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 225 | GLY | 0 | -0.048 | -0.041 | 53.154 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 226 | GLU | -1 | -0.920 | -0.945 | 51.425 | -6.158 | -6.158 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 227 | THR | 0 | -0.019 | -0.036 | 49.507 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 228 | VAL | 0 | -0.028 | 0.003 | 45.513 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 229 | GLU | -1 | -0.921 | -0.950 | 43.080 | -7.315 | -7.315 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 230 | ARG | 1 | 0.876 | 0.930 | 39.893 | 7.948 | 7.948 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 231 | TYR | 0 | 0.013 | -0.004 | 34.797 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 232 | LEU | 0 | 0.002 | 0.027 | 38.807 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 233 | ASP | -1 | -0.897 | -0.960 | 37.683 | -8.115 | -8.115 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 234 | ALA | 0 | 0.017 | 0.005 | 37.142 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 235 | GLY | 0 | 0.053 | 0.013 | 36.078 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 236 | LEU | 0 | -0.012 | -0.002 | 36.120 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 237 | GLU | -1 | -0.947 | -0.985 | 37.498 | -7.671 | -7.671 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 238 | ASN | 0 | -0.067 | -0.041 | 33.939 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 239 | LEU | 0 | -0.018 | -0.008 | 31.612 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 240 | LEU | 0 | -0.015 | -0.008 | 34.385 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | LYS | 1 | 0.923 | 0.968 | 36.334 | 8.115 | 8.115 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ASP | -1 | -0.843 | -0.888 | 29.861 | -10.674 | -10.674 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | GLU | -1 | -0.927 | -0.967 | 32.433 | -9.347 | -9.347 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | THR | 0 | -0.084 | -0.048 | 27.485 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | LEU | 0 | -0.074 | -0.035 | 28.939 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | THR | 0 | 0.002 | 0.004 | 31.833 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | LEU | 0 | 0.051 | 0.001 | 34.560 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | GLU | -1 | -0.887 | -0.956 | 35.040 | -8.120 | -8.120 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | ASP | -1 | -0.821 | -0.891 | 31.019 | -10.373 | -10.373 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | ILE | 0 | 0.013 | 0.004 | 33.120 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | ARG | 1 | 0.928 | 0.966 | 35.331 | 7.734 | 7.734 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | ASN | 0 | 0.009 | -0.001 | 32.765 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | LEU | 0 | -0.010 | -0.004 | 31.033 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | LEU | 0 | -0.024 | -0.013 | 33.678 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | GLU | -1 | -0.948 | -0.975 | 37.085 | -7.688 | -7.688 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | GLU | -1 | -0.920 | -0.958 | 32.374 | -9.348 | -9.348 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | VAL | 0 | -0.018 | -0.003 | 32.775 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | LYS | 1 | 0.930 | 0.973 | 34.722 | 7.854 | 7.854 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | ASP | -1 | -0.861 | -0.922 | 34.477 | -8.919 | -8.919 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | GLN | 0 | 0.019 | 0.000 | 34.326 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | LYS | 1 | 0.995 | 0.994 | 33.630 | 8.501 | 8.501 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | PHE | 0 | -0.011 | -0.002 | 27.623 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | LEU | 0 | 0.033 | 0.023 | 29.612 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | GLU | -1 | -0.962 | -0.974 | 29.538 | -9.551 | -9.551 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | SER | 0 | -0.108 | -0.059 | 27.319 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | LEU | 0 | -0.033 | -0.016 | 25.106 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | VAL | 0 | -0.038 | 0.007 | 24.206 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | GLY | 0 | 0.019 | 0.006 | 22.565 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | GLU | -1 | -0.993 | -1.000 | 20.986 | -13.905 | -13.905 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | GLY | 0 | -0.002 | 0.006 | 21.881 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | ILE | 0 | -0.010 | -0.002 | 22.018 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | THR | 0 | -0.032 | -0.003 | 19.323 | -0.792 | -0.792 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | VAL | 0 | 0.000 | -0.002 | 17.630 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | ARG | 1 | 0.879 | 0.949 | 18.664 | 13.514 | 13.514 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | ILE | 0 | 0.026 | -0.009 | 16.250 | 0.735 | 0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | GLY | 0 | 0.036 | 0.018 | 19.313 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | ARG | 1 | 0.902 | 0.935 | 13.760 | 19.639 | 19.639 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | GLU | -1 | -0.895 | -0.925 | 15.365 | -19.021 | -19.021 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | ILE | 0 | -0.024 | 0.006 | 19.843 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | GLY | 0 | 0.044 | 0.030 | 23.469 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | ARG | 1 | 0.822 | 0.902 | 24.713 | 10.280 | 10.280 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | LYS | 1 | 0.940 | 0.960 | 23.475 | 12.675 | 12.675 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | LYS | 1 | 0.964 | 0.985 | 27.533 | 9.195 | 9.195 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | LEU | 0 | 0.047 | 0.036 | 27.715 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | GLU | -1 | -0.908 | -0.960 | 23.109 | -13.308 | -13.308 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | LYS | 1 | 0.793 | 0.887 | 23.892 | 10.095 | 10.095 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | PHE | 0 | 0.019 | 0.025 | 25.751 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ALA | 0 | -0.010 | -0.010 | 21.903 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | VAL | 0 | 0.000 | -0.004 | 23.117 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | PHE | 0 | -0.025 | -0.003 | 20.766 | -0.747 | -0.747 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | SER | 0 | 0.022 | 0.005 | 24.091 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | GLY | 0 | 0.051 | 0.011 | 24.798 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | LYS | 1 | 0.920 | 0.974 | 27.187 | 11.168 | 11.168 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | TYR | 0 | -0.007 | -0.005 | 30.345 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | PHE | 0 | 0.017 | -0.010 | 29.588 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | LYS | 1 | 0.959 | 0.991 | 34.955 | 7.849 | 7.849 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | GLY | 0 | -0.024 | -0.028 | 37.034 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | GLU | -1 | -0.874 | -0.941 | 33.133 | -9.760 | -9.760 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | SER | 0 | -0.078 | -0.034 | 34.288 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | PRO | 0 | -0.035 | -0.016 | 32.692 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | ILE | 0 | -0.042 | -0.019 | 34.753 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | GLY | 0 | 0.005 | 0.009 | 35.292 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | SER | 0 | -0.014 | -0.014 | 30.822 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | VAL | 0 | -0.028 | -0.012 | 30.417 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | TYR | 0 | -0.014 | -0.037 | 28.433 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | LEU | 0 | -0.008 | 0.006 | 26.707 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | PHE | 0 | 0.012 | 0.004 | 27.017 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 308 | THR | 0 | 0.045 | 0.009 | 25.339 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 309 | SER | 0 | 0.094 | 0.043 | 26.588 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 310 | LYS | 1 | 0.799 | 0.891 | 20.775 | 13.960 | 13.960 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 311 | VAL | 0 | -0.039 | -0.009 | 21.582 | -0.895 | -0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 312 | THR | 0 | 0.065 | 0.041 | 22.594 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 313 | LYS | 1 | 0.974 | 0.977 | 22.164 | 10.643 | 10.643 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 314 | TYR | 0 | -0.006 | -0.030 | 18.879 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 315 | ASP | -1 | -0.882 | -0.937 | 19.977 | -14.891 | -14.891 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 316 | ARG | 1 | 0.880 | 0.948 | 21.096 | 11.468 | 11.468 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 317 | ASN | 0 | 0.025 | -0.007 | 23.540 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 318 | HIS | 0 | 0.045 | 0.022 | 20.867 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 319 | ARG | 1 | 0.913 | 0.963 | 22.967 | 12.225 | 12.225 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 320 | VAL | 0 | 0.010 | 0.006 | 25.082 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 321 | PHE | 0 | -0.039 | -0.015 | 25.637 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 322 | GLU | -1 | -0.905 | -0.968 | 24.054 | -12.701 | -12.701 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 323 | TYR | 0 | 0.013 | 0.026 | 26.768 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 324 | ILE | 0 | -0.004 | -0.013 | 29.825 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 325 | LEU | 0 | 0.031 | 0.009 | 27.609 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 326 | ASN | 0 | 0.004 | 0.000 | 27.837 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 327 | ARG | 1 | 0.822 | 0.929 | 31.602 | 9.390 | 9.390 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 328 | LEU | 0 | -0.031 | 0.001 | 34.054 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 329 | SER | 0 | 0.055 | 0.020 | 32.411 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 330 | GLU | -1 | -0.845 | -0.912 | 35.273 | -8.646 | -8.646 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 331 | TYR | 0 | -0.037 | -0.011 | 37.354 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 332 | PHE | 0 | -0.018 | -0.021 | 38.430 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 333 | THR | 0 | -0.016 | -0.013 | 37.192 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 334 | SER | 0 | -0.066 | -0.022 | 39.919 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 335 | THR | 0 | -0.083 | -0.021 | 42.546 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 336 | SER | 0 | -0.040 | -0.020 | 43.159 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |