FMODB ID: 63V7Z
Calculation Name: 6LXT-ABC-Xray96
Preferred Name:
Target Type:
Ligand Name: tetraethylene glycol
ligand 3-letter code: PG4
PDB ID: 6LXT
Chain ID: ABC
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2020-04-16
Reference: K. Kato, Y. Handa, Y. Kawashima, K. Fukuzawa et. Al., FMO Calculation for SARS Cov-2 related proteins. To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 355 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4621210.183925 |
---|---|
FMO2-HF: Nuclear repulsion | 4488975.276588 |
FMO2-HF: Total energy | -132234.907337 |
FMO2-MP2: Total energy | -132629.898058 |
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:912:THR )
Summations of interaction energy for
fragment #1(A:912:THR )
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. |
-0.936 | 1.563 | 0.054 | -1.095 | -1.459 | 0.002 |
Interaction energy analysis for fragmet #1(A:912:THR )
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 | 914 | ASN | 0 | 0.008 | 2.909 | -0.595 | 1.789 | 0.055 | -1.086 | -1.353 | 0.002 | |
4 | A | 915 | VAL | 0 | 0.054 | 4.740 | -0.235 | -0.120 | -0.001 | -0.009 | -0.106 | 0.000 | |
5 | A | 916 | LEU | 0 | 0.010 | 6.591 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | A | 917 | TYR | 0 | 0.048 | 7.755 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | A | 918 | GLU | -1 | -0.822 | 8.875 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 | |
8 | A | 919 | ASN | 0 | 0.019 | 10.518 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | A | 920 | GLN | 0 | -0.028 | 12.179 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | A | 921 | LYS | 1 | 0.861 | 12.056 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | A | 922 | LEU | 0 | -0.028 | 14.392 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | A | 923 | ILE | 0 | 0.009 | 15.668 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | A | 924 | ALA | 0 | 0.017 | 18.107 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
14 | A | 925 | ASN | 0 | -0.015 | 18.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | A | 926 | GLN | 0 | -0.024 | 20.443 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | A | 927 | PHE | 0 | 0.016 | 22.393 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | A | 928 | ASN | 0 | 0.028 | 23.414 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | A | 929 | SER | 0 | -0.071 | 25.281 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | A | 930 | ALA | 0 | 0.029 | 26.761 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | A | 931 | ILE | 0 | -0.012 | 27.918 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | A | 932 | GLY | 0 | 0.063 | 29.910 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | A | 933 | LYS | 1 | 0.840 | 29.216 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | A | 934 | ILE | 0 | 0.036 | 31.304 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
24 | A | 935 | GLN | 0 | -0.017 | 33.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
25 | A | 936 | ASP | -1 | -0.839 | 36.054 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
26 | A | 937 | SER | 0 | -0.106 | 37.365 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | A | 938 | LEU | 0 | 0.032 | 37.476 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | A | 939 | SER | 0 | 0.027 | 40.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | A | 940 | SER | 0 | -0.070 | 41.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | A | 941 | THR | 0 | 0.010 | 42.395 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
31 | A | 942 | ALA | 0 | 0.016 | 44.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
32 | A | 943 | SER | 0 | -0.067 | 46.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | A | 944 | ALA | 0 | 0.000 | 47.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
34 | A | 945 | LEU | 0 | 0.017 | 47.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
35 | A | 946 | GLY | 0 | 0.041 | 50.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
36 | A | 947 | LYS | 1 | 0.835 | 50.597 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
37 | A | 948 | LEU | 0 | -0.008 | 52.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
38 | A | 949 | GLN | 0 | -0.008 | 55.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
39 | A | 950 | ASP | -1 | -0.925 | 56.834 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | A | 951 | VAL | 0 | -0.025 | 58.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
41 | A | 952 | VAL | 0 | 0.002 | 58.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | A | 953 | ASN | 0 | 0.020 | 60.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | A | 954 | GLN | 0 | -0.007 | 61.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | A | 955 | ASN | 0 | -0.002 | 63.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | A | 956 | ALA | 0 | 0.022 | 65.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
46 | A | 957 | GLN | 0 | -0.040 | 66.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
47 | A | 958 | ALA | 0 | 0.036 | 68.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
48 | A | 959 | LEU | 0 | 0.044 | 69.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
49 | A | 960 | ASN | 0 | -0.015 | 69.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | A | 961 | THR | 0 | -0.054 | 73.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
51 | A | 962 | LEU | 0 | 0.020 | 74.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | A | 963 | VAL | 0 | 0.002 | 75.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | A | 964 | LYS | 1 | 0.938 | 74.557 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
54 | A | 965 | GLN | 0 | 0.004 | 79.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
55 | A | 966 | LEU | 0 | -0.012 | 78.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | A | 967 | SER | 0 | 0.030 | 81.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | A | 968 | SER | 0 | -0.043 | 83.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | A | 969 | ASN | 0 | -0.019 | 84.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | A | 970 | PHE | 0 | 0.033 | 82.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | A | 971 | GLY | 0 | 0.024 | 87.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | A | 972 | ALA | 0 | 0.007 | 89.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | A | 973 | ILE | 0 | 0.018 | 88.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | A | 974 | SER | 0 | -0.032 | 91.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | A | 975 | SER | 0 | -0.043 | 93.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
65 | A | 976 | VAL | 0 | 0.061 | 95.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | A | 977 | LEU | 0 | -0.001 | 94.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | A | 978 | ASN | 0 | -0.004 | 96.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
68 | A | 979 | ASP | -1 | -0.919 | 99.813 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
69 | A | 980 | ILE | 0 | 0.047 | 99.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
70 | A | 981 | LEU | 0 | -0.023 | 99.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
71 | A | 982 | SER | 0 | -0.062 | 103.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
72 | A | 983 | ARG | 1 | 0.854 | 104.775 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
73 | A | 984 | LEU | 0 | -0.001 | 104.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | A | 985 | ASP | -1 | -0.867 | 107.553 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
75 | A | 986 | LYS | 1 | 0.802 | 109.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
76 | A | 987 | VAL | 0 | -0.005 | 110.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
77 | A | 988 | GLU | -1 | -0.990 | 109.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
78 | A | 1164 | VAL | 1 | 0.799 | 93.927 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
79 | A | 1165 | ASP | -1 | -0.859 | 92.896 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
80 | A | 1166 | LEU | 0 | -0.029 | 88.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | A | 1167 | GLY | 0 | 0.035 | 85.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
82 | A | 1168 | ASP | -1 | -0.781 | 83.439 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | A | 1169 | ILE | 0 | -0.035 | 79.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | A | 1170 | SER | 0 | -0.071 | 78.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | A | 1171 | GLY | 0 | -0.016 | 77.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | A | 1172 | ILE | 0 | -0.081 | 73.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
87 | A | 1173 | ASN | 0 | -0.038 | 70.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | A | 1174 | ALA | 0 | -0.037 | 67.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
89 | A | 1175 | SER | 0 | 0.032 | 65.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | A | 1176 | VAL | 0 | 0.022 | 63.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | A | 1177 | VAL | 0 | 0.015 | 57.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
92 | A | 1178 | ASN | 0 | -0.031 | 57.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
93 | A | 1179 | ILE | 0 | 0.027 | 52.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
94 | A | 1180 | GLN | 0 | 0.024 | 51.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
95 | A | 1181 | LYS | 1 | 0.960 | 50.537 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
96 | A | 1182 | GLU | -1 | -0.749 | 48.354 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | A | 1183 | ILE | 0 | -0.012 | 47.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | A | 1184 | ASP | -1 | -0.951 | 46.954 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | A | 1185 | ARG | 1 | 0.855 | 40.791 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | A | 1186 | LEU | 0 | -0.014 | 42.675 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | A | 1187 | ASN | 0 | -0.017 | 41.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | A | 1188 | GLU | -1 | -0.875 | 41.850 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | A | 1189 | VAL | 0 | -0.047 | 37.406 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
104 | A | 1190 | ALA | 0 | 0.010 | 37.358 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | A | 1191 | LYS | 1 | 0.915 | 36.872 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | A | 1192 | ASN | 0 | 0.030 | 36.566 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | A | 1193 | LEU | 0 | -0.026 | 32.305 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | A | 1194 | ASN | 0 | 0.029 | 31.702 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | A | 1195 | GLU | -1 | -0.918 | 30.945 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 | |
110 | A | 1196 | SER | 0 | -0.074 | 29.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
111 | A | 1197 | LEU | 0 | 0.008 | 26.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | A | 1198 | ILE | 0 | -0.043 | 20.584 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | A | 1199 | ASP | -1 | -0.880 | 22.453 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | A | 1200 | LEU | 0 | -0.052 | 15.029 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | A | 1201 | GLN | 0 | 0.004 | 17.002 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | A | 1202 | GLU | -1 | -1.006 | 11.697 | 1.409 | 1.409 | 0.000 | 0.000 | 0.000 | 0.000 | |
117 | B | 914 | ASN | 0 | 0.048 | 9.393 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | B | 915 | VAL | 0 | 0.030 | 12.253 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | B | 916 | LEU | 0 | 0.001 | 7.932 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | B | 917 | TYR | 0 | 0.036 | 12.537 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | B | 918 | GLU | -1 | -0.860 | 15.082 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | B | 919 | ASN | 0 | -0.012 | 14.076 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | B | 920 | GLN | 0 | -0.023 | 14.638 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | B | 921 | LYS | 1 | 0.918 | 17.467 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 | |
125 | B | 922 | LEU | 0 | -0.005 | 20.376 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | B | 923 | ILE | 0 | 0.032 | 17.152 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | B | 924 | ALA | 0 | 0.005 | 21.379 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
128 | B | 925 | ASN | 0 | -0.012 | 23.152 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | B | 926 | GLN | 0 | -0.039 | 24.616 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | B | 927 | PHE | 0 | -0.010 | 24.515 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | B | 928 | ASN | 0 | 0.011 | 26.492 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | B | 929 | SER | 0 | -0.004 | 28.962 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | B | 930 | ALA | 0 | -0.028 | 29.330 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | B | 931 | ILE | 0 | -0.002 | 29.085 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | B | 932 | GLY | 0 | 0.063 | 32.313 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | B | 933 | LYS | 1 | 0.840 | 33.515 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | B | 934 | ILE | 0 | 0.038 | 32.361 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | B | 935 | GLN | 0 | -0.029 | 35.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | B | 936 | ASP | -1 | -0.791 | 38.143 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | B | 937 | SER | 0 | -0.088 | 38.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | B | 938 | LEU | 0 | 0.042 | 37.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | B | 939 | SER | 0 | -0.052 | 41.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | B | 940 | SER | 0 | -0.004 | 44.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | B | 941 | THR | 0 | 0.004 | 43.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | B | 942 | ALA | 0 | -0.008 | 45.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | B | 943 | SER | 0 | -0.045 | 47.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | B | 944 | ALA | 0 | -0.028 | 49.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | B | 945 | LEU | 0 | 0.026 | 47.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | B | 946 | GLY | 0 | 0.054 | 51.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | B | 947 | LYS | 1 | 0.828 | 53.311 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | B | 948 | LEU | 0 | -0.002 | 52.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | B | 949 | GLN | 0 | 0.005 | 54.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | B | 950 | ASP | -1 | -0.915 | 56.937 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | B | 951 | VAL | 0 | -0.037 | 59.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | B | 952 | VAL | 0 | -0.009 | 58.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | B | 953 | ASN | 0 | 0.029 | 59.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
157 | B | 954 | GLN | 0 | 0.008 | 62.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | B | 955 | ASN | 0 | 0.009 | 64.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | B | 956 | ALA | 0 | 0.023 | 64.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | B | 957 | GLN | 0 | -0.069 | 66.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | B | 958 | ALA | 0 | 0.006 | 69.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | B | 959 | LEU | 0 | 0.026 | 69.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | B | 960 | ASN | 0 | 0.023 | 68.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | B | 961 | THR | 0 | -0.061 | 72.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | B | 962 | LEU | 0 | 0.023 | 74.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | B | 963 | VAL | 0 | 0.030 | 74.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | B | 964 | LYS | 1 | 0.947 | 73.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
168 | B | 965 | GLN | 0 | 0.010 | 78.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
169 | B | 966 | LEU | 0 | -0.004 | 78.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
170 | B | 967 | SER | 0 | 0.007 | 80.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
171 | B | 968 | SER | 0 | -0.044 | 82.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
172 | B | 969 | ASN | 0 | -0.044 | 84.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
173 | B | 970 | PHE | 0 | 0.038 | 82.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
174 | B | 971 | GLY | 0 | 0.033 | 87.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
175 | B | 972 | ALA | 0 | -0.015 | 88.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
176 | B | 973 | ILE | 0 | -0.006 | 88.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
177 | B | 974 | SER | 0 | 0.026 | 90.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
178 | B | 975 | SER | 0 | -0.026 | 92.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
179 | B | 976 | VAL | 0 | 0.009 | 95.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
180 | B | 977 | LEU | 0 | -0.009 | 93.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
181 | B | 978 | ASN | 0 | 0.009 | 94.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
182 | B | 979 | ASP | -1 | -0.924 | 98.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
183 | B | 980 | ILE | 0 | -0.046 | 98.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
184 | B | 981 | LEU | 0 | 0.015 | 98.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
185 | B | 982 | SER | 0 | -0.028 | 102.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
186 | B | 983 | ARG | 1 | 0.807 | 104.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
187 | B | 984 | LEU | 0 | 0.022 | 104.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
188 | B | 985 | ASP | -1 | -0.921 | 106.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
189 | B | 986 | LYS | 1 | 0.866 | 108.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
190 | B | 987 | VAL | 0 | -0.046 | 110.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
191 | B | 988 | GLU | -1 | -0.834 | 107.352 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
192 | B | 989 | SER | 0 | -0.027 | 111.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
193 | B | 990 | GLY | 0 | 0.002 | 109.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
194 | B | 991 | GLY | 0 | -0.042 | 110.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
195 | B | 992 | ARG | 1 | 0.831 | 105.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
196 | B | 993 | GLY | 0 | 0.068 | 106.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
197 | B | 994 | GLY | 0 | 0.002 | 103.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
198 | B | 1162 | PRO | 0 | -0.064 | 100.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
199 | B | 1163 | ASP | -1 | -0.906 | 96.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
200 | B | 1164 | VAL | 0 | -0.058 | 92.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
201 | B | 1165 | ASP | -1 | -0.908 | 90.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
202 | B | 1166 | LEU | 0 | -0.084 | 87.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
203 | B | 1167 | GLY | 0 | 0.035 | 84.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
204 | B | 1168 | ASP | -1 | -0.810 | 81.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
205 | B | 1169 | ILE | 0 | -0.053 | 78.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
206 | B | 1170 | SER | 0 | -0.060 | 78.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
207 | B | 1171 | GLY | 0 | 0.010 | 76.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
208 | B | 1172 | ILE | 0 | -0.073 | 72.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
209 | B | 1173 | ASN | 0 | -0.024 | 68.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
210 | B | 1174 | ALA | 0 | -0.038 | 67.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
211 | B | 1175 | SER | 0 | 0.033 | 63.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
212 | B | 1176 | VAL | 0 | 0.015 | 62.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
213 | B | 1177 | VAL | 0 | -0.002 | 56.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
214 | B | 1178 | ASN | 0 | -0.020 | 55.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
215 | B | 1179 | ILE | 0 | -0.002 | 51.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
216 | B | 1180 | GLN | 0 | -0.001 | 51.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
217 | B | 1181 | LYS | 1 | 0.956 | 48.455 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
218 | B | 1182 | GLU | -1 | -0.812 | 46.912 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
219 | B | 1183 | ILE | 0 | 0.012 | 46.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
220 | B | 1184 | ASP | -1 | -0.849 | 46.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
221 | B | 1185 | ARG | 1 | 0.905 | 41.888 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
222 | B | 1186 | LEU | 0 | -0.028 | 42.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
223 | B | 1187 | ASN | 0 | -0.009 | 42.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
224 | B | 1188 | GLU | -1 | -0.933 | 40.893 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
225 | B | 1189 | VAL | 0 | -0.007 | 36.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
226 | B | 1190 | ALA | 0 | 0.008 | 37.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
227 | B | 1191 | LYS | 1 | 0.876 | 38.470 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
228 | B | 1192 | ASN | 0 | 0.042 | 36.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
229 | B | 1193 | LEU | 0 | -0.008 | 32.625 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
230 | B | 1194 | ASN | 0 | 0.021 | 32.794 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
231 | B | 1195 | GLU | -1 | -0.902 | 32.205 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
232 | B | 1196 | SER | 0 | -0.044 | 29.166 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
233 | B | 1197 | LEU | 0 | 0.004 | 28.092 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
234 | B | 1198 | ILE | 0 | -0.059 | 22.369 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
235 | B | 1199 | ASP | -1 | -0.899 | 25.692 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 | |
236 | B | 1200 | LEU | 0 | -0.049 | 19.163 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
237 | B | 1201 | GLN | 0 | 0.004 | 19.061 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
238 | B | 1202 | GLU | -1 | -0.928 | 19.618 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 | |
239 | C | 912 | THR | 0 | 0.026 | 10.120 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 | |
240 | C | 913 | GLN | 0 | 0.075 | 6.114 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 | |
241 | C | 914 | ASN | 0 | -0.036 | 9.302 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 | |
242 | C | 915 | VAL | 0 | 0.044 | 11.636 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
243 | C | 916 | LEU | 0 | -0.005 | 9.849 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
244 | C | 917 | TYR | 0 | 0.000 | 10.017 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
245 | C | 918 | GLU | -1 | -0.894 | 12.004 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 | |
246 | C | 919 | ASN | 0 | 0.028 | 15.556 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
247 | C | 920 | GLN | 0 | -0.064 | 12.260 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
248 | C | 921 | LYS | 1 | 0.954 | 14.305 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 | |
249 | C | 922 | LEU | 0 | 0.002 | 17.185 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
250 | C | 923 | ILE | 0 | 0.014 | 17.421 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
251 | C | 924 | ALA | 0 | 0.028 | 18.473 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
252 | C | 925 | ASN | 0 | -0.014 | 20.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
253 | C | 926 | GLN | 0 | -0.057 | 22.964 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
254 | C | 927 | PHE | 0 | -0.014 | 23.076 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
255 | C | 928 | ASN | 0 | 0.032 | 22.430 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
256 | C | 929 | SER | 0 | -0.016 | 26.038 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
257 | C | 930 | ALA | 0 | 0.003 | 28.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
258 | C | 931 | ILE | 0 | 0.011 | 27.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
259 | C | 932 | GLY | 0 | 0.039 | 30.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
260 | C | 933 | LYS | 1 | 0.813 | 32.048 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
261 | C | 934 | ILE | 0 | 0.043 | 31.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
262 | C | 935 | GLN | 0 | 0.017 | 32.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
263 | C | 936 | ASP | -1 | -0.896 | 35.632 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
264 | C | 937 | SER | 0 | -0.045 | 37.825 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
265 | C | 938 | LEU | 0 | 0.028 | 36.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
266 | C | 939 | SER | 0 | -0.007 | 39.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
267 | C | 940 | SER | 0 | -0.030 | 41.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
268 | C | 941 | THR | 0 | 0.007 | 42.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
269 | C | 942 | ALA | 0 | -0.002 | 43.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
270 | C | 943 | SER | 0 | -0.045 | 45.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
271 | C | 944 | ALA | 0 | -0.016 | 47.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
272 | C | 945 | LEU | 0 | 0.027 | 46.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
273 | C | 946 | GLY | 0 | 0.035 | 49.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
274 | C | 947 | LYS | 1 | 0.860 | 51.133 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
275 | C | 948 | LEU | 0 | 0.014 | 52.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
276 | C | 949 | GLN | 0 | 0.016 | 53.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
277 | C | 950 | ASP | -1 | -0.918 | 55.711 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
278 | C | 951 | VAL | 0 | -0.037 | 57.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
279 | C | 952 | VAL | 0 | -0.014 | 58.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
280 | C | 953 | ASN | 0 | 0.006 | 58.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
281 | C | 954 | GLN | 0 | 0.018 | 60.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
282 | C | 955 | ASN | 0 | 0.020 | 63.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
283 | C | 956 | ALA | 0 | 0.002 | 64.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
284 | C | 957 | GLN | 0 | -0.021 | 63.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
285 | C | 958 | ALA | 0 | 0.018 | 67.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
286 | C | 959 | LEU | 0 | 0.029 | 69.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
287 | C | 960 | ASN | 0 | -0.001 | 68.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
288 | C | 961 | THR | 0 | -0.049 | 71.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
289 | C | 962 | LEU | 0 | 0.010 | 73.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
290 | C | 963 | VAL | 0 | 0.000 | 74.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
291 | C | 964 | LYS | 1 | 0.958 | 73.663 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
292 | C | 965 | GLN | 0 | 0.021 | 77.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
293 | C | 966 | LEU | 0 | 0.009 | 78.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
294 | C | 967 | SER | 0 | -0.045 | 80.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
295 | C | 968 | SER | 0 | 0.008 | 82.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
296 | C | 969 | ASN | 0 | -0.040 | 83.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
297 | C | 970 | PHE | 0 | 0.009 | 82.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
298 | C | 971 | GLY | 0 | 0.022 | 86.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
299 | C | 972 | ALA | 0 | -0.003 | 88.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
300 | C | 973 | ILE | 0 | -0.008 | 88.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
301 | C | 974 | SER | 0 | 0.023 | 90.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
302 | C | 975 | SER | 0 | 0.032 | 92.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
303 | C | 976 | VAL | 0 | -0.016 | 94.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
304 | C | 977 | LEU | 0 | -0.010 | 93.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
305 | C | 978 | ASN | 0 | -0.042 | 96.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
306 | C | 979 | ASP | -1 | -0.823 | 98.749 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
307 | C | 980 | ILE | 0 | 0.017 | 98.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
308 | C | 981 | LEU | 0 | 0.002 | 99.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
309 | C | 982 | SER | 0 | -0.051 | 103.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
310 | C | 983 | ARG | 1 | 0.762 | 102.440 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
311 | C | 984 | LEU | 0 | 0.006 | 104.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
312 | C | 985 | ASP | -1 | -0.840 | 107.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
313 | C | 986 | LYS | 1 | 0.845 | 108.313 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
314 | C | 987 | VAL | 0 | -0.035 | 110.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
315 | C | 988 | GLU | -1 | -0.964 | 109.450 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
316 | C | 1163 | ASP | -1 | -0.962 | 95.347 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
317 | C | 1164 | VAL | 0 | -0.065 | 95.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
318 | C | 1165 | ASP | -1 | -0.902 | 90.462 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
319 | C | 1166 | LEU | 0 | -0.054 | 87.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
320 | C | 1167 | GLY | 0 | 0.003 | 85.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
321 | C | 1168 | ASP | -1 | -0.805 | 81.763 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
322 | C | 1169 | ILE | 0 | -0.015 | 78.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
323 | C | 1170 | SER | 0 | -0.073 | 77.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
324 | C | 1171 | GLY | 0 | 0.003 | 76.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
325 | C | 1172 | ILE | 0 | -0.069 | 72.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
326 | C | 1173 | ASN | 0 | -0.034 | 68.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
327 | C | 1174 | ALA | 0 | -0.035 | 66.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
328 | C | 1175 | SER | 0 | 0.037 | 63.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
329 | C | 1176 | VAL | 0 | 0.006 | 61.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
330 | C | 1177 | VAL | 0 | 0.002 | 55.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
331 | C | 1178 | ASN | 0 | -0.010 | 54.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
332 | C | 1179 | ILE | 0 | -0.033 | 50.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
333 | C | 1180 | GLN | 0 | 0.011 | 48.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
334 | C | 1181 | LYS | 1 | 0.957 | 46.953 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
335 | C | 1182 | GLU | -1 | -0.794 | 45.599 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
336 | C | 1183 | ILE | 0 | 0.014 | 44.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
337 | C | 1184 | ASP | -1 | -0.835 | 44.475 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
338 | C | 1185 | ARG | 1 | 0.818 | 36.366 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
339 | C | 1186 | LEU | 0 | -0.001 | 40.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
340 | C | 1187 | ASN | 0 | 0.026 | 39.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
341 | C | 1188 | GLU | -1 | -0.837 | 37.611 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
342 | C | 1189 | VAL | 0 | -0.046 | 34.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
343 | C | 1190 | ALA | 0 | -0.012 | 34.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
344 | C | 1191 | LYS | 1 | 0.824 | 34.533 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
345 | C | 1192 | ASN | 0 | 0.027 | 32.694 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
346 | C | 1193 | LEU | 0 | -0.010 | 30.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
347 | C | 1194 | ASN | 0 | 0.000 | 28.853 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
348 | C | 1195 | GLU | -1 | -0.903 | 27.016 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
349 | C | 1196 | SER | 0 | -0.065 | 25.393 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
350 | C | 1197 | LEU | 0 | -0.036 | 24.198 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
351 | C | 1198 | ILE | 0 | -0.022 | 18.382 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
352 | C | 1199 | ASP | -1 | -0.861 | 19.197 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 | |
353 | C | 1200 | LEU | 0 | -0.047 | 18.044 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
354 | C | 1201 | GLN | 0 | -0.021 | 11.834 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
355 | C | 1202 | GLU | -1 | -0.979 | 11.769 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |