FMODB ID: RY1Y8
Calculation Name: 1G0Y-R-Xray372
Preferred Name: Interleukin-1 receptor
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1G0Y
Chain ID: R
ChEMBL ID: CHEMBL1959
UniProt ID: P14778
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 305 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4520132.005822 |
---|---|
FMO2-HF: Nuclear repulsion | 4394518.833908 |
FMO2-HF: Total energy | -125613.171914 |
FMO2-MP2: Total energy | -125977.521891 |
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(R:6:CYS)
Summations of interaction energy for
fragment #1(R:6:CYS)
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. |
-30.036 | -25.164 | 29.221 | -17.183 | -16.91 | -0.003 |
Interaction energy analysis for fragmet #1(R:6:CYS)
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 | R | 8 | GLU | -1 | -0.966 | -0.968 | 3.834 | -1.637 | -0.158 | -0.009 | -0.600 | -0.871 | 0.000 |
4 | R | 9 | ARG | 1 | 0.943 | 0.960 | 5.790 | 1.155 | 1.155 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | R | 10 | GLU | -1 | -0.923 | -0.970 | 9.266 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | R | 11 | GLU | -1 | -0.869 | -0.935 | 12.003 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | R | 12 | LYS | 1 | 0.926 | 0.975 | 15.331 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | R | 13 | ILE | 0 | -0.098 | -0.048 | 17.837 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | R | 14 | ILE | 0 | 0.024 | 0.024 | 19.486 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | R | 15 | LEU | 0 | -0.008 | -0.008 | 21.343 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | R | 16 | VAL | 0 | -0.029 | -0.026 | 23.138 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | R | 17 | SER | 0 | -0.009 | -0.014 | 25.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | R | 18 | SER | 0 | 0.035 | 0.034 | 27.823 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | R | 19 | ALA | 0 | -0.026 | -0.004 | 29.389 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | R | 20 | ASN | 0 | -0.122 | -0.068 | 30.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | R | 21 | GLU | -1 | -0.828 | -0.897 | 29.909 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | R | 22 | ILE | 0 | -0.056 | -0.007 | 26.416 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | R | 23 | ASP | -1 | -0.860 | -0.928 | 23.978 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | R | 24 | VAL | 0 | -0.025 | -0.002 | 20.027 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | R | 25 | ARG | 1 | 0.843 | 0.893 | 17.475 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | R | 26 | PRO | 0 | 0.007 | 0.016 | 16.164 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | R | 27 | CYS | 0 | -0.031 | -0.018 | 9.203 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | R | 28 | PRO | 0 | -0.009 | 0.018 | 13.083 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | R | 29 | LEU | 0 | 0.015 | 0.005 | 8.135 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | R | 30 | ASN | 0 | 0.025 | 0.022 | 11.172 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | R | 31 | PRO | 0 | 0.027 | -0.016 | 12.043 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | R | 32 | ASN | 0 | -0.068 | -0.034 | 8.924 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | R | 33 | GLU | -1 | -0.855 | -0.932 | 7.284 | -2.094 | -2.094 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | R | 34 | HIS | 0 | 0.013 | 0.027 | 7.482 | 0.950 | 0.950 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | R | 35 | LYS | 1 | 0.875 | 0.937 | 6.500 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | R | 36 | GLY | 0 | 0.010 | 0.002 | 8.354 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | R | 37 | THR | 0 | -0.025 | -0.013 | 6.562 | 0.957 | 0.957 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | R | 38 | ILE | 0 | 0.114 | 0.065 | 6.662 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | R | 39 | THR | 0 | -0.143 | -0.074 | 7.660 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | R | 40 | TRP | 0 | 0.091 | 0.048 | 8.871 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | R | 41 | TYR | 0 | -0.053 | -0.022 | 7.875 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | R | 42 | LYS | 1 | 0.970 | 0.981 | 12.755 | -1.028 | -1.028 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | R | 43 | ASP | -1 | -0.818 | -0.928 | 13.059 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | R | 44 | ASP | -1 | -0.789 | -0.904 | 10.961 | 0.804 | 0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | R | 45 | SER | 0 | -0.037 | -0.020 | 7.999 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | R | 46 | LYS | 1 | 0.808 | 0.898 | 10.077 | -1.067 | -1.067 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | R | 47 | THR | 0 | -0.007 | 0.018 | 12.200 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | R | 48 | PRO | 0 | 0.007 | -0.017 | 11.332 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | R | 49 | VAL | 0 | -0.080 | -0.036 | 13.310 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | R | 50 | SER | 0 | 0.045 | 0.029 | 15.783 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | R | 51 | THR | 0 | 0.009 | 0.007 | 15.964 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | R | 52 | GLU | -1 | -0.927 | -0.972 | 18.511 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | R | 53 | GLN | 0 | -0.004 | -0.022 | 20.654 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | R | 54 | ALA | 0 | -0.021 | 0.017 | 23.968 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | R | 55 | SER | 0 | 0.029 | -0.016 | 23.159 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | R | 56 | ARG | 1 | 0.867 | 0.916 | 24.261 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | R | 57 | ILE | 0 | -0.018 | 0.018 | 19.346 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | R | 58 | HIS | 0 | -0.066 | -0.018 | 19.298 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | R | 59 | GLN | 0 | 0.033 | 0.012 | 11.824 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | R | 60 | HIS | 0 | 0.038 | -0.005 | 17.244 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | R | 61 | LYS | 1 | 0.925 | 0.962 | 17.691 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | R | 62 | GLU | -1 | -0.917 | -0.970 | 11.569 | 1.556 | 1.556 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | R | 63 | LYS | 1 | 0.839 | 0.962 | 14.065 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | R | 64 | LEU | 0 | 0.006 | 0.005 | 15.771 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | R | 65 | TRP | 0 | -0.015 | -0.012 | 17.405 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | R | 66 | PHE | 0 | -0.010 | 0.002 | 19.392 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | R | 67 | VAL | 0 | 0.023 | -0.020 | 23.459 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | R | 68 | PRO | 0 | -0.047 | -0.027 | 26.595 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | R | 69 | ALA | 0 | 0.038 | 0.036 | 26.075 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | R | 70 | LYS | 1 | 0.925 | 0.985 | 26.903 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | R | 71 | VAL | 0 | 0.102 | 0.038 | 26.814 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | R | 72 | GLU | -1 | -0.958 | -0.969 | 26.249 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | R | 73 | ASP | -1 | -0.727 | -0.849 | 22.753 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | R | 74 | SER | 0 | -0.048 | -0.017 | 21.446 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | R | 75 | GLY | 0 | 0.010 | 0.005 | 19.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | R | 76 | HIS | 0 | 0.024 | 0.034 | 13.862 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | R | 77 | TYR | 0 | -0.047 | -0.048 | 13.854 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | R | 78 | TYR | 0 | -0.033 | -0.011 | 8.389 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | R | 80 | VAL | 0 | -0.001 | -0.016 | 3.075 | -0.771 | -0.034 | 0.163 | -0.178 | -0.722 | -0.001 |
75 | R | 81 | VAL | 0 | 0.055 | 0.035 | 3.877 | -0.433 | 0.594 | 0.003 | -0.473 | -0.556 | -0.001 |
76 | R | 82 | ARG | 1 | 0.873 | 0.948 | 1.920 | -4.433 | -11.423 | 25.410 | -11.138 | -7.283 | -0.020 |
77 | R | 83 | ASN | 0 | -0.022 | 0.012 | 2.213 | -7.276 | -7.235 | 2.995 | -0.801 | -2.235 | 0.021 |
78 | R | 84 | SER | 0 | 0.004 | -0.016 | 2.991 | -6.129 | -4.725 | 0.098 | -0.773 | -0.728 | 0.009 |
79 | R | 85 | SER | 0 | 0.007 | 0.015 | 3.800 | -1.739 | 1.110 | -0.039 | -1.574 | -1.237 | -0.006 |
82 | R | 89 | ARG | 1 | 0.944 | 0.987 | 2.853 | -3.897 | 0.428 | 0.601 | -1.628 | -3.297 | -0.005 |
83 | R | 90 | ILE | 0 | 0.045 | 0.021 | 5.156 | -0.709 | -0.709 | -0.001 | -0.018 | 0.019 | 0.000 |
84 | R | 91 | LYS | 1 | 0.910 | 0.978 | 8.914 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | R | 92 | ILE | 0 | -0.009 | -0.027 | 11.105 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | R | 93 | SER | 0 | 0.001 | 0.003 | 14.735 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | R | 94 | ALA | 0 | -0.037 | -0.013 | 17.544 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | R | 95 | LYS | 1 | 0.922 | 0.965 | 20.541 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | R | 96 | PHE | 0 | 0.045 | 0.018 | 22.109 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | R | 97 | VAL | 0 | -0.044 | -0.026 | 26.871 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | R | 98 | GLU | -1 | -0.856 | -0.932 | 30.366 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | R | 99 | ASN | 0 | -0.046 | -0.029 | 33.839 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | R | 100 | GLU | -1 | -0.845 | -0.915 | 36.779 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | R | 101 | PRO | 0 | 0.003 | -0.013 | 38.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | R | 102 | ASN | 0 | -0.059 | -0.027 | 42.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | R | 103 | LEU | 0 | 0.040 | 0.024 | 40.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | R | 104 | CYS | 0 | -0.070 | -0.040 | 40.769 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | R | 105 | TYR | 0 | 0.082 | 0.020 | 36.532 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | R | 106 | ASN | 0 | 0.012 | -0.009 | 33.296 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | R | 107 | ALA | 0 | 0.025 | -0.001 | 34.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | R | 108 | GLN | 0 | -0.029 | -0.026 | 29.147 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | R | 109 | ALA | 0 | -0.004 | 0.006 | 29.847 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | R | 110 | ILE | 0 | -0.067 | 0.000 | 30.876 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | R | 111 | PHE | 0 | 0.035 | 0.009 | 27.501 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | R | 112 | LYS | 1 | 0.972 | 0.964 | 32.192 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | R | 113 | GLN | 0 | -0.023 | -0.003 | 32.473 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | R | 114 | LYS | 1 | 0.973 | 0.982 | 28.006 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | R | 115 | LEU | 0 | 0.028 | 0.008 | 31.573 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | R | 116 | PRO | 0 | 0.009 | 0.033 | 34.139 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | R | 117 | VAL | 0 | -0.041 | -0.027 | 35.264 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | R | 118 | ALA | 0 | -0.004 | -0.002 | 37.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | R | 119 | GLY | 0 | 0.006 | -0.005 | 41.233 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | R | 120 | ASP | -1 | -0.856 | -0.914 | 43.594 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | R | 121 | GLY | 0 | -0.019 | -0.001 | 43.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | R | 122 | GLY | 0 | -0.035 | -0.019 | 39.374 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | R | 123 | LEU | 0 | -0.051 | -0.013 | 37.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | R | 124 | VAL | 0 | 0.021 | 0.006 | 32.028 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | R | 125 | CYS | 0 | -0.083 | -0.002 | 33.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | R | 126 | PRO | 0 | -0.002 | 0.018 | 28.522 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | R | 127 | TYR | 0 | 0.030 | -0.008 | 23.112 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | R | 128 | MET | 0 | 0.074 | 0.030 | 26.558 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | R | 129 | GLU | -1 | -0.920 | -0.955 | 22.459 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | R | 130 | PHE | 0 | 0.074 | 0.009 | 19.223 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | R | 131 | PHE | 0 | -0.008 | -0.010 | 24.211 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | R | 132 | LYN | 0 | 0.031 | 0.011 | 27.380 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | R | 133 | ASN | 0 | -0.066 | -0.036 | 23.374 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | R | 134 | GLU | -1 | -0.872 | -0.925 | 27.848 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | R | 135 | ASN | 0 | -0.053 | -0.044 | 30.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | R | 136 | ASN | 0 | -0.018 | -0.017 | 29.221 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | R | 137 | GLU | -1 | -0.937 | -0.959 | 30.989 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | R | 138 | LEU | 0 | -0.038 | -0.012 | 30.738 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | R | 139 | PRO | 0 | 0.017 | 0.019 | 32.112 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | R | 140 | LYS | 1 | 0.955 | 0.953 | 35.296 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | R | 141 | LEU | 0 | 0.033 | 0.024 | 34.175 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | R | 142 | GLN | 0 | -0.043 | -0.007 | 38.157 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | R | 143 | TRP | 0 | 0.047 | 0.011 | 36.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | R | 144 | TYR | 0 | 0.017 | 0.010 | 40.884 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | R | 145 | LYS | 1 | 0.942 | 0.978 | 42.386 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | R | 146 | ASP | -1 | -0.896 | -0.944 | 43.771 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | R | 148 | LYS | 1 | 0.880 | 0.959 | 44.478 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | R | 149 | PRO | 0 | 0.023 | -0.005 | 45.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | R | 150 | LEU | 0 | -0.027 | 0.002 | 44.069 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | R | 151 | LEU | 0 | -0.014 | -0.008 | 46.571 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | R | 152 | LEU | 0 | -0.035 | 0.003 | 43.081 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | R | 153 | ASP | -1 | -0.748 | -0.890 | 47.494 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | R | 154 | ASN | 0 | -0.019 | -0.004 | 47.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | R | 155 | ILE | 0 | -0.021 | -0.003 | 50.022 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | R | 156 | HIS | 1 | 0.817 | 0.908 | 50.995 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | R | 157 | PHE | 0 | 0.076 | 0.027 | 45.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | R | 158 | SER | 0 | -0.028 | -0.017 | 45.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | R | 159 | GLY | 0 | 0.035 | 0.018 | 41.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | R | 160 | VAL | 0 | -0.027 | -0.007 | 39.210 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | R | 161 | LYS | 1 | 0.824 | 0.914 | 35.028 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | R | 162 | ASP | -1 | -0.800 | -0.912 | 31.860 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | R | 163 | ARG | 1 | 0.926 | 0.965 | 34.807 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | R | 164 | LEU | 0 | -0.019 | -0.001 | 37.323 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | R | 165 | ILE | 0 | -0.029 | -0.020 | 40.544 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | R | 166 | VAL | 0 | 0.041 | -0.004 | 43.286 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | R | 167 | MET | 0 | -0.021 | -0.001 | 45.834 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | R | 168 | ASN | 0 | 0.057 | 0.019 | 49.312 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | R | 169 | VAL | 0 | -0.012 | 0.013 | 51.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | R | 170 | ALA | 0 | -0.015 | 0.004 | 53.593 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | R | 171 | GLU | -1 | -0.946 | -0.990 | 51.738 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | R | 172 | LYS | 1 | 0.907 | 0.970 | 49.280 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | R | 173 | HIS | 0 | 0.093 | 0.019 | 46.446 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | R | 174 | ARG | 1 | 0.862 | 0.941 | 45.581 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | R | 175 | GLY | 0 | 0.037 | 0.016 | 44.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | R | 176 | ASN | 0 | 0.025 | 0.016 | 39.169 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | R | 177 | TYR | 0 | -0.044 | -0.038 | 39.671 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | R | 178 | THR | 0 | 0.029 | 0.022 | 37.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | R | 180 | HIS | 0 | 0.046 | 0.001 | 35.776 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | R | 181 | ALA | 0 | 0.013 | 0.012 | 33.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | R | 182 | SER | 0 | -0.029 | -0.024 | 34.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | R | 183 | TYR | 0 | 0.038 | 0.045 | 27.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | R | 184 | THR | 0 | 0.012 | 0.001 | 32.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | R | 185 | TYR | 0 | -0.005 | -0.008 | 24.546 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | R | 186 | LEU | 0 | -0.034 | -0.022 | 28.349 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | R | 187 | GLY | 0 | -0.004 | 0.000 | 32.367 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | R | 188 | LYS | 1 | 0.942 | 0.967 | 33.268 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | R | 189 | GLN | 0 | -0.026 | -0.009 | 33.912 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | R | 190 | TYR | 0 | 0.007 | 0.012 | 30.999 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | R | 191 | PRO | 0 | 0.012 | -0.002 | 33.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | R | 192 | ILE | 0 | 0.025 | 0.021 | 29.735 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | R | 193 | THR | 0 | -0.044 | -0.036 | 32.170 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | R | 194 | ARG | 1 | 0.836 | 0.911 | 27.185 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | R | 195 | VAL | 0 | 0.035 | 0.005 | 33.240 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | R | 196 | ILE | 0 | -0.047 | -0.014 | 34.023 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | R | 197 | GLU | -1 | -0.917 | -0.952 | 36.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | R | 198 | PHE | 0 | -0.039 | -0.014 | 38.643 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | R | 199 | ILE | 0 | 0.011 | -0.014 | 40.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | R | 200 | THR | 0 | -0.027 | -0.028 | 43.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | R | 201 | LEU | 0 | -0.006 | -0.001 | 41.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | R | 202 | GLU | -1 | -0.912 | -0.964 | 42.658 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | R | 203 | GLU | -1 | -0.931 | -0.948 | 44.471 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | R | 204 | ASN | 0 | -0.023 | -0.004 | 46.715 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | R | 205 | LYS | 1 | 0.911 | 0.934 | 42.647 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | R | 206 | PRO | 0 | 0.001 | 0.018 | 41.441 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | R | 207 | THR | 0 | -0.031 | -0.019 | 37.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | R | 208 | ARG | 1 | 0.929 | 0.975 | 33.221 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | R | 209 | PRO | 0 | -0.012 | 0.014 | 32.072 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | R | 210 | VAL | 0 | -0.005 | -0.017 | 27.997 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | R | 211 | ILE | 0 | -0.034 | -0.007 | 24.314 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | R | 212 | VAL | 0 | -0.076 | -0.040 | 23.229 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | R | 213 | SER | 0 | -0.102 | -0.034 | 19.629 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | R | 214 | PRO | 0 | 0.015 | 0.011 | 19.462 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | R | 215 | ALA | 0 | 0.042 | 0.026 | 19.009 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | R | 216 | ASN | 0 | -0.062 | -0.033 | 19.253 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | R | 217 | GLU | -1 | -0.794 | -0.898 | 14.695 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | R | 218 | THR | 0 | 0.010 | 0.015 | 11.909 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | R | 219 | MET | 0 | -0.014 | -0.004 | 8.392 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | R | 220 | GLU | -1 | -0.904 | -0.932 | 5.784 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | R | 221 | VAL | 0 | -0.005 | -0.005 | 7.897 | -0.810 | -0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | R | 222 | ASP | -1 | -0.929 | -0.977 | 8.196 | -2.614 | -2.614 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | R | 223 | LEU | 0 | -0.028 | -0.007 | 10.422 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | R | 224 | GLY | 0 | 0.021 | 0.028 | 13.390 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | R | 225 | SER | 0 | -0.042 | -0.020 | 11.798 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | R | 226 | GLN | 0 | 0.057 | 0.042 | 13.854 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | R | 227 | ILE | 0 | -0.061 | -0.038 | 12.960 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | R | 228 | GLN | 0 | -0.006 | -0.011 | 15.383 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | R | 229 | LEU | 0 | -0.020 | -0.002 | 16.128 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | R | 230 | ILE | 0 | 0.043 | 0.024 | 16.930 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | R | 231 | CYS | 0 | 0.003 | 0.034 | 19.847 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | R | 232 | ASN | 0 | 0.030 | 0.001 | 22.248 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | R | 233 | VAL | 0 | 0.025 | 0.010 | 24.045 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | R | 234 | THR | 0 | -0.030 | -0.023 | 27.469 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | R | 235 | GLY | 0 | 0.002 | -0.004 | 29.765 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | R | 236 | GLN | 0 | -0.060 | -0.014 | 33.373 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | R | 237 | LEU | 0 | 0.057 | 0.008 | 34.906 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | R | 238 | SER | 0 | -0.050 | -0.016 | 36.144 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | R | 239 | ASP | -1 | -0.923 | -0.956 | 34.153 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | R | 240 | ILE | 0 | -0.020 | -0.020 | 33.380 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | R | 241 | ALA | 0 | 0.056 | 0.026 | 27.890 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | R | 242 | TYR | 0 | -0.013 | 0.005 | 28.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | R | 243 | TRP | 0 | 0.007 | -0.008 | 20.774 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | R | 244 | LYS | 1 | 0.884 | 0.945 | 26.601 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | R | 245 | TRP | 0 | 0.022 | -0.006 | 21.830 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | R | 246 | ASN | 0 | 0.006 | 0.009 | 25.801 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | R | 247 | GLY | 0 | -0.023 | -0.004 | 27.504 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | R | 248 | SER | 0 | -0.075 | -0.050 | 29.531 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | R | 249 | VAL | 0 | -0.019 | -0.005 | 29.489 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | R | 250 | ILE | 0 | 0.013 | 0.011 | 25.868 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | R | 251 | ASP | -1 | -0.898 | -0.955 | 29.405 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | R | 252 | GLU | -1 | -0.991 | -1.002 | 31.252 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | R | 253 | ASP | -1 | -0.932 | -0.957 | 33.401 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | R | 254 | ASP | -1 | -0.963 | -0.985 | 27.390 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | R | 255 | PRO | 0 | -0.054 | -0.015 | 27.676 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | R | 256 | VAL | 0 | -0.047 | -0.012 | 21.917 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | R | 257 | LEU | 0 | -0.055 | -0.039 | 22.302 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | R | 258 | GLY | 0 | 0.089 | 0.055 | 24.636 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | R | 259 | GLU | -1 | -0.827 | -0.938 | 25.013 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | R | 260 | ASP | -1 | -0.880 | -0.929 | 25.716 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | R | 261 | TYR | 0 | -0.050 | -0.035 | 26.713 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | R | 262 | TYR | 0 | -0.016 | -0.012 | 24.806 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | R | 263 | SER | 0 | -0.031 | -0.031 | 29.036 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | R | 264 | VAL | 0 | -0.006 | 0.005 | 27.106 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | R | 265 | GLU | -1 | -0.872 | -0.955 | 30.366 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | R | 266 | ASN | 0 | -0.034 | -0.022 | 32.651 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | R | 267 | PRO | 0 | -0.014 | -0.012 | 34.072 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | R | 268 | ALA | 0 | -0.011 | 0.003 | 34.856 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | R | 269 | ASN | 0 | -0.033 | -0.031 | 35.540 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | R | 270 | LYN | 0 | 0.124 | 0.090 | 35.924 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | R | 271 | ARG | 1 | 0.906 | 0.934 | 36.833 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | R | 272 | ARG | 1 | 0.869 | 0.946 | 31.726 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | R | 273 | SER | 0 | 0.056 | 0.038 | 32.112 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | R | 274 | THR | 0 | -0.042 | -0.017 | 26.585 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | R | 275 | LEU | 0 | -0.025 | -0.014 | 28.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | R | 276 | ILE | 0 | 0.018 | 0.012 | 23.107 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | R | 277 | THR | 0 | 0.009 | -0.001 | 24.619 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | R | 278 | VAL | 0 | -0.048 | -0.011 | 21.326 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | R | 279 | LEU | 0 | 0.051 | 0.032 | 21.619 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | R | 280 | ASN | 0 | -0.051 | -0.030 | 20.418 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | R | 281 | ILE | 0 | 0.012 | 0.000 | 18.183 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | R | 282 | SER | 0 | 0.016 | 0.018 | 19.140 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | R | 283 | GLU | -1 | -0.929 | -0.985 | 18.076 | -0.956 | -0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | R | 284 | ILE | 0 | -0.039 | -0.009 | 13.198 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | R | 285 | GLU | -1 | -0.746 | -0.878 | 17.037 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | R | 286 | SER | 0 | -0.038 | -0.035 | 17.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | R | 287 | ARG | 1 | 0.845 | 0.921 | 18.867 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | R | 288 | PHE | 0 | 0.018 | -0.007 | 18.337 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | R | 289 | TYR | 0 | -0.045 | -0.022 | 12.172 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | R | 290 | LYS | 1 | 0.882 | 0.950 | 17.513 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | R | 291 | HIS | 0 | -0.012 | 0.000 | 20.867 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | R | 292 | PRO | 0 | -0.005 | 0.010 | 20.025 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | R | 293 | PHE | 0 | 0.043 | 0.029 | 18.786 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | R | 294 | THR | 0 | -0.067 | -0.049 | 22.019 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | R | 296 | PHE | 0 | -0.010 | -0.022 | 26.077 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | R | 297 | ALA | 0 | 0.094 | 0.040 | 29.697 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | R | 298 | LYS | 1 | 0.914 | 0.967 | 31.817 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | R | 299 | ASN | 0 | 0.173 | 0.060 | 35.645 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | R | 300 | THR | 0 | -0.137 | -0.060 | 38.469 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | R | 301 | HIS | 0 | -0.003 | 0.006 | 40.024 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | R | 302 | GLY | 0 | -0.016 | -0.028 | 37.885 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | R | 303 | ILE | 0 | -0.030 | -0.021 | 33.190 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | R | 304 | ASP | -1 | -0.910 | -0.942 | 29.460 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | R | 305 | ALA | 0 | 0.000 | -0.024 | 28.383 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | R | 306 | ALA | 0 | -0.009 | 0.022 | 23.513 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | R | 307 | TYR | 0 | -0.014 | -0.020 | 19.076 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | R | 308 | ILE | 0 | 0.058 | 0.032 | 16.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | R | 309 | GLN | 0 | -0.054 | -0.031 | 16.507 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | R | 310 | LEU | 0 | 0.031 | 0.016 | 13.880 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | R | 311 | ILE | 0 | -0.014 | -0.015 | 10.487 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | R | 312 | TYR | 0 | 0.049 | 0.000 | 10.928 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | R | 313 | PRO | 0 | -0.008 | -0.007 | 6.309 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | R | 314 | VAL | 0 | -0.008 | 0.014 | 6.638 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | R | 315 | THR | 0 | -0.034 | -0.011 | 8.507 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |