![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: GNV71
Calculation Name: 3GLD-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3GLD
Chain ID: A
UniProt ID: Q9A1S2
Base Structure: X-ray
Registration Date: 2023-03-14
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 | 294 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3514260.625879 |
---|---|
FMO2-HF: Nuclear repulsion | 3402192.375347 |
FMO2-HF: Total energy | -112068.250532 |
FMO2-MP2: Total energy | -112400.036876 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F019397/ligand_interaction/ligand_F019397.png)
Ligand Interaction
![ligand interaction](./Kdata/F019397/ligand_interaction/ligand_interaction_F019397.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:14:GLY)
Summations of interaction energy for
fragment #1(A:14:GLY)
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. |
-0.892 | -0.255 | 8.975 | -5.656 | -3.955 | -0.027 |
Interaction energy analysis for fragmet #1(A:14:GLY)
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 | GLY | 0 | 0.033 | 0.003 | 3.802 | 0.973 | 2.139 | -0.006 | -0.547 | -0.612 | 0.003 |
4 | A | 17 | SER | 0 | -0.011 | -0.017 | 5.258 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 18 | ALA | 0 | -0.028 | 0.007 | 4.141 | 0.663 | 0.813 | -0.001 | -0.048 | -0.102 | 0.000 |
6 | A | 19 | THR | 0 | -0.011 | -0.007 | 2.578 | -3.342 | -2.205 | 1.715 | -1.771 | -1.081 | -0.016 |
7 | A | 20 | THR | 0 | 0.034 | 0.006 | 2.070 | 1.342 | -0.478 | 7.262 | -3.268 | -2.173 | -0.014 |
8 | A | 21 | VAL | 0 | -0.033 | -0.012 | 4.056 | -0.262 | -0.258 | 0.005 | -0.022 | 0.013 | 0.000 |
9 | A | 22 | HIS | 0 | 0.028 | -0.001 | 6.963 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 23 | GLY | 0 | -0.039 | -0.001 | 10.150 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 24 | GLU | -1 | -0.927 | -0.967 | 13.174 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 25 | THR | 0 | -0.034 | -0.022 | 15.866 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 26 | VAL | 0 | 0.040 | 0.031 | 19.010 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 27 | VAL | 0 | -0.011 | -0.006 | 22.169 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 28 | ASN | 0 | 0.027 | -0.005 | 24.792 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 29 | GLY | 0 | 0.037 | 0.027 | 28.103 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 30 | ALA | 0 | 0.002 | -0.001 | 29.498 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 31 | LYS | 1 | 0.877 | 0.945 | 31.966 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 32 | LEU | 0 | -0.007 | 0.016 | 32.106 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 33 | THR | 0 | 0.019 | 0.012 | 32.030 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 34 | VAL | 0 | -0.043 | -0.015 | 34.018 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 35 | THR | 0 | 0.012 | -0.005 | 34.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | LYS | 1 | 0.804 | 0.922 | 36.799 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 37 | ASN | 0 | 0.074 | 0.070 | 36.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 38 | LEU | 0 | -0.030 | -0.020 | 40.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 39 | ASP | -1 | -0.873 | -0.935 | 43.264 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 40 | LEU | 0 | -0.023 | -0.014 | 45.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 41 | VAL | 0 | 0.030 | 0.030 | 47.935 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 42 | ASN | 0 | 0.017 | 0.025 | 50.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 43 | SER | 0 | 0.030 | 0.003 | 46.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 44 | ASN | 0 | -0.006 | -0.005 | 47.978 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 45 | ALA | 0 | -0.009 | 0.002 | 50.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 46 | LEU | 0 | -0.006 | -0.002 | 50.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 47 | ILE | 0 | 0.005 | 0.007 | 46.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 48 | PRO | 0 | -0.011 | 0.009 | 49.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 49 | ASN | 0 | -0.043 | -0.025 | 50.318 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 50 | THR | 0 | -0.017 | -0.015 | 49.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 51 | ASP | -1 | -0.790 | -0.853 | 47.930 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 52 | PHE | 0 | -0.022 | -0.025 | 45.623 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 53 | THR | 0 | 0.052 | 0.021 | 45.817 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 54 | PHE | 0 | -0.018 | -0.007 | 42.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 55 | LYS | 1 | 0.980 | 1.001 | 45.034 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 56 | ILE | 0 | -0.040 | -0.011 | 40.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 57 | GLU | -1 | -0.939 | -0.973 | 44.063 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 58 | PRO | 0 | -0.005 | -0.006 | 44.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | ASP | -1 | -0.846 | -0.902 | 44.054 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | THR | 0 | -0.003 | -0.015 | 45.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | THR | 0 | -0.131 | -0.095 | 47.070 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 62 | VAL | 0 | -0.008 | 0.007 | 43.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | ASN | 0 | -0.055 | -0.035 | 45.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | GLU | -1 | -0.867 | -0.926 | 45.180 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | ASP | -1 | -0.816 | -0.897 | 42.783 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 66 | GLY | 0 | -0.069 | -0.033 | 42.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 67 | ASN | 0 | -0.076 | -0.037 | 37.046 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 68 | LYS | 1 | 0.939 | 0.974 | 38.774 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 69 | PHE | 0 | 0.048 | 0.020 | 39.729 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 70 | LYS | 1 | 0.934 | 0.958 | 42.325 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 71 | GLY | 0 | -0.005 | 0.005 | 41.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 72 | VAL | 0 | 0.017 | 0.012 | 42.109 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 73 | ALA | 0 | 0.002 | 0.001 | 43.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 74 | LEU | 0 | 0.005 | 0.006 | 40.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 75 | ASN | 0 | 0.052 | 0.020 | 44.040 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 76 | THR | 0 | -0.031 | -0.007 | 43.834 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 77 | PRO | 0 | 0.012 | 0.012 | 43.934 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 78 | MET | 0 | -0.027 | -0.014 | 45.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 79 | THR | 0 | 0.024 | 0.021 | 40.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 80 | LYS | 1 | 0.873 | 0.924 | 43.320 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 81 | VAL | 0 | -0.013 | 0.007 | 40.581 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 82 | THR | 0 | -0.014 | -0.038 | 43.304 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 83 | TYR | 0 | -0.085 | -0.056 | 42.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 84 | THR | 0 | -0.001 | -0.014 | 46.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 85 | ASN | 0 | 0.023 | -0.020 | 48.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 86 | SER | 0 | -0.037 | -0.015 | 47.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 87 | ASP | -1 | -0.802 | -0.886 | 43.673 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 88 | LYS | 1 | 0.931 | 0.963 | 44.354 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 89 | GLY | 0 | -0.016 | -0.002 | 44.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 90 | GLY | 0 | -0.003 | 0.011 | 40.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 91 | SER | 0 | -0.011 | -0.018 | 36.857 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 92 | ASN | 0 | 0.026 | 0.011 | 39.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 93 | THR | 0 | -0.016 | -0.037 | 35.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | LYS | 1 | 0.825 | 0.912 | 38.001 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | THR | 0 | -0.009 | -0.009 | 33.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | ALA | 0 | 0.022 | 0.021 | 36.986 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 97 | GLU | -1 | -0.913 | -0.964 | 32.632 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 98 | PHE | 0 | -0.031 | -0.016 | 37.060 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 99 | ASP | -1 | -0.810 | -0.894 | 36.621 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 100 | PHE | 0 | 0.023 | -0.016 | 35.716 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 101 | SER | 0 | -0.083 | -0.061 | 35.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 102 | GLU | -1 | -0.934 | -0.968 | 36.393 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 103 | VAL | 0 | -0.059 | -0.020 | 39.024 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 104 | THR | 0 | -0.027 | -0.006 | 39.083 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 105 | PHE | 0 | -0.003 | -0.012 | 36.676 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 106 | GLU | -1 | -0.903 | -0.962 | 39.128 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 107 | LYS | 1 | 0.914 | 0.966 | 38.733 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 108 | PRO | 0 | 0.009 | 0.011 | 34.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 109 | GLY | 0 | 0.021 | 0.019 | 35.321 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 110 | VAL | 0 | -0.042 | -0.018 | 34.544 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 111 | TYR | 0 | 0.008 | -0.013 | 36.908 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 112 | TYR | 0 | -0.041 | -0.020 | 38.535 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 113 | TYR | 0 | -0.001 | -0.029 | 39.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 114 | LYS | 1 | 0.950 | 0.979 | 41.757 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 115 | VAL | 0 | 0.014 | 0.011 | 39.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 116 | THR | 0 | -0.030 | -0.024 | 42.947 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 117 | ALA | 0 | 0.032 | 0.023 | 45.285 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 118 | GLU | -1 | -0.920 | -0.974 | 46.639 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 119 | LYS | 1 | 0.880 | 0.931 | 49.949 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 120 | ILE | 0 | 0.002 | 0.011 | 52.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 121 | ASP | -1 | -0.883 | -0.937 | 54.921 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 122 | LYS | 1 | 0.856 | 0.921 | 54.940 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 123 | VAL | 0 | 0.045 | 0.028 | 52.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 124 | PRO | 0 | 0.007 | -0.007 | 55.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 125 | GLY | 0 | 0.064 | 0.030 | 55.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 126 | VAL | 0 | -0.050 | -0.002 | 50.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 127 | SER | 0 | -0.040 | -0.005 | 51.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 128 | TYR | 0 | -0.012 | -0.032 | 49.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 129 | ASP | -1 | -0.763 | -0.852 | 43.751 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 130 | THR | 0 | -0.048 | -0.029 | 47.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 131 | THR | 0 | -0.067 | -0.064 | 41.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 132 | SER | 0 | -0.012 | -0.006 | 44.807 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 133 | TYR | 0 | -0.050 | -0.051 | 37.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 134 | THR | 0 | -0.022 | -0.002 | 39.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 135 | VAL | 0 | -0.012 | -0.021 | 36.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 136 | GLN | 0 | -0.010 | -0.003 | 34.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 137 | VAL | 0 | 0.048 | 0.015 | 33.989 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 138 | HIS | 0 | -0.023 | -0.014 | 30.748 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 139 | VAL | 0 | 0.017 | 0.021 | 31.590 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 140 | LEU | 0 | 0.014 | 0.001 | 27.248 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 141 | TRP | 0 | 0.003 | 0.019 | 30.510 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 142 | ASN | 0 | -0.016 | -0.013 | 26.243 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 143 | GLU | -1 | -0.863 | -0.952 | 25.831 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 144 | GLU | -1 | -0.940 | -0.956 | 24.418 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 145 | GLN | 0 | -0.055 | -0.037 | 27.492 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 146 | GLN | 0 | -0.085 | -0.039 | 30.340 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 147 | LYS | 1 | 0.987 | 0.989 | 32.454 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 148 | PRO | 0 | -0.006 | 0.010 | 32.669 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 149 | VAL | 0 | 0.018 | 0.003 | 29.685 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 150 | ALA | 0 | -0.018 | 0.013 | 31.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 151 | THR | 0 | -0.028 | -0.034 | 26.536 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 152 | TYR | 0 | 0.002 | -0.004 | 26.854 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 153 | ILE | 0 | 0.011 | 0.018 | 28.939 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 154 | VAL | 0 | -0.037 | -0.017 | 30.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 155 | GLY | 0 | 0.046 | 0.026 | 32.451 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 156 | TYR | 0 | -0.016 | -0.023 | 34.645 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 157 | LYS | 1 | 0.993 | 1.011 | 37.067 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 158 | GLU | -1 | -0.940 | -0.993 | 38.929 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 159 | GLY | 0 | -0.008 | 0.011 | 37.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 160 | SER | 0 | 0.001 | 0.008 | 34.505 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 161 | LYS | 1 | 0.845 | 0.931 | 31.159 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 162 | VAL | 0 | -0.021 | -0.010 | 31.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 163 | PRO | 0 | 0.027 | 0.014 | 30.479 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 164 | ILE | 0 | 0.014 | 0.028 | 33.018 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 165 | GLN | 0 | -0.005 | -0.003 | 33.567 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 166 | PHE | 0 | 0.009 | 0.029 | 37.855 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 167 | LYS | 1 | 0.896 | 0.945 | 40.960 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 168 | ASN | 0 | -0.014 | 0.019 | 43.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 169 | SER | 0 | 0.003 | 0.002 | 46.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 170 | LEU | 0 | -0.022 | -0.014 | 48.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 171 | ASP | -1 | -0.814 | -0.916 | 50.729 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 172 | SER | 0 | -0.176 | -0.102 | 53.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 173 | THR | 0 | 0.071 | 0.037 | 56.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 174 | THR | 0 | -0.081 | -0.071 | 59.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 175 | LEU | 0 | -0.007 | 0.008 | 61.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 176 | THR | 0 | -0.022 | -0.007 | 65.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 177 | VAL | 0 | 0.002 | 0.006 | 67.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 178 | LYS | 1 | 0.957 | 0.969 | 70.400 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 179 | LYS | 1 | 0.875 | 0.966 | 72.932 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 180 | LYS | 1 | 0.945 | 0.974 | 76.266 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 181 | VAL | 0 | -0.006 | -0.003 | 79.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 182 | SER | 0 | -0.057 | -0.034 | 82.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 183 | GLY | 0 | 0.029 | 0.000 | 85.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 184 | THR | 0 | 0.013 | 0.000 | 88.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 185 | GLY | 0 | 0.043 | 0.030 | 91.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 186 | GLY | 0 | -0.047 | -0.013 | 86.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 187 | ASP | -1 | -0.788 | -0.903 | 84.798 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 188 | ARG | 1 | 0.853 | 0.894 | 81.662 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 189 | SER | 0 | -0.066 | -0.037 | 80.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 190 | LYS | 1 | 0.867 | 0.949 | 80.520 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 191 | ASP | -1 | -0.830 | -0.917 | 75.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 192 | PHE | 0 | -0.073 | -0.037 | 77.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 193 | ASN | 0 | 0.038 | 0.001 | 76.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 194 | PHE | 0 | -0.003 | -0.010 | 73.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 195 | GLY | 0 | 0.035 | 0.022 | 72.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 196 | LEU | 0 | -0.016 | -0.003 | 65.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 197 | THR | 0 | 0.008 | -0.003 | 67.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 198 | LEU | 0 | 0.046 | 0.014 | 62.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 199 | LYS | 1 | 0.870 | 0.947 | 65.078 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 200 | ALA | 0 | 0.015 | 0.011 | 61.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 201 | ASN | 0 | 0.024 | 0.008 | 59.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 202 | GLN | 0 | -0.046 | -0.036 | 57.644 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 203 | TYR | 0 | 0.041 | 0.024 | 54.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 204 | TYR | 0 | 0.045 | 0.018 | 53.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 205 | LYS | 1 | 0.961 | 0.993 | 55.762 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 206 | ALA | 0 | 0.085 | 0.026 | 57.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 207 | SER | 0 | -0.066 | -0.040 | 58.248 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 208 | GLU | -1 | -0.932 | -0.953 | 53.306 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 209 | LYS | 1 | 0.904 | 0.953 | 55.419 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 210 | VAL | 0 | -0.019 | -0.007 | 55.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 211 | MET | 0 | -0.009 | -0.012 | 53.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 212 | ILE | 0 | -0.016 | -0.009 | 58.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 213 | GLU | -1 | -0.866 | -0.915 | 58.421 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 214 | LYS | 1 | 0.880 | 0.927 | 62.367 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 215 | THR | 0 | -0.024 | -0.014 | 65.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 216 | THR | 0 | 0.033 | 0.007 | 67.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 217 | LYS | 1 | 0.926 | 0.955 | 69.774 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 218 | GLY | 0 | -0.020 | -0.010 | 71.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 219 | GLY | 0 | -0.001 | -0.008 | 68.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 220 | GLN | 0 | -0.029 | -0.005 | 66.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 221 | ALA | 0 | 0.034 | 0.026 | 61.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 222 | PRO | 0 | 0.003 | -0.007 | 61.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 223 | VAL | 0 | -0.005 | 0.006 | 61.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 224 | GLN | 0 | -0.037 | -0.030 | 57.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 225 | THR | 0 | -0.054 | -0.010 | 60.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 226 | GLU | -1 | -0.917 | -0.964 | 55.336 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 227 | ALA | 0 | -0.021 | 0.000 | 60.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 228 | SER | 0 | -0.005 | -0.006 | 60.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 229 | ILE | 0 | 0.000 | 0.010 | 58.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 230 | ASP | -1 | -0.841 | -0.945 | 61.926 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 231 | GLN | 0 | -0.087 | -0.027 | 64.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 232 | LEU | 0 | -0.065 | -0.012 | 66.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 233 | TYR | 0 | -0.002 | -0.023 | 64.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 234 | HIS | 0 | 0.021 | 0.003 | 67.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 235 | PHE | 0 | -0.011 | -0.011 | 69.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 236 | THR | 0 | 0.015 | 0.015 | 71.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 237 | LEU | 0 | -0.047 | -0.002 | 70.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 238 | LYS | 1 | 0.916 | 0.961 | 74.414 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 239 | ASP | -1 | -0.863 | -0.954 | 75.980 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 240 | GLY | 0 | -0.105 | -0.053 | 75.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | GLU | -1 | -0.869 | -0.912 | 71.848 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | SER | 0 | -0.048 | -0.044 | 68.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | ILE | 0 | 0.030 | 0.027 | 66.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | LYS | 1 | 0.974 | 0.980 | 61.439 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | VAL | 0 | 0.008 | 0.013 | 60.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | THR | 0 | 0.004 | -0.012 | 57.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | ASN | 0 | 0.026 | 0.007 | 53.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | LEU | 0 | 0.024 | 0.021 | 56.744 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | PRO | 0 | 0.034 | 0.022 | 56.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | VAL | 0 | 0.033 | 0.030 | 57.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | GLY | 0 | -0.024 | -0.014 | 58.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | VAL | 0 | -0.070 | -0.025 | 60.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | ASP | -1 | -0.795 | -0.877 | 62.807 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | TYR | 0 | -0.027 | -0.045 | 65.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | VAL | 0 | -0.012 | 0.005 | 68.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | VAL | 0 | 0.001 | -0.005 | 70.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | THR | 0 | 0.013 | -0.001 | 72.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | GLU | -1 | -0.806 | -0.902 | 75.519 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | ASP | -1 | -0.855 | -0.935 | 77.892 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | ASP | -1 | -0.921 | -0.969 | 80.471 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | TYR | 0 | 0.070 | 0.042 | 80.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | LYS | 1 | 0.972 | 0.981 | 85.972 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | SER | 0 | -0.013 | 0.003 | 89.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | GLU | -1 | -0.855 | -0.927 | 86.525 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | LYS | 1 | 0.861 | 0.916 | 90.023 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | TYR | 0 | 0.041 | 0.027 | 85.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | THR | 0 | -0.061 | -0.030 | 87.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | THR | 0 | -0.008 | -0.049 | 81.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | ASN | 0 | -0.041 | -0.024 | 82.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | VAL | 0 | 0.030 | 0.024 | 76.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | GLU | -1 | -0.954 | -0.972 | 75.967 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | VAL | 0 | 0.008 | -0.016 | 72.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | SER | 0 | 0.011 | 0.002 | 72.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | PRO | 0 | 0.048 | 0.021 | 68.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLN | 0 | 0.020 | 0.009 | 63.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | ASP | -1 | -0.921 | -0.958 | 65.433 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | GLY | 0 | -0.027 | -0.022 | 68.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | ALA | 0 | -0.042 | -0.022 | 71.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | VAL | 0 | 0.005 | 0.013 | 74.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | LYS | 1 | 0.867 | 0.928 | 74.134 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | ASN | 0 | -0.026 | -0.018 | 77.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | ILE | 0 | 0.029 | 0.022 | 78.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | ALA | 0 | -0.004 | 0.017 | 81.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | GLY | 0 | -0.041 | -0.032 | 83.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | ASN | 0 | -0.010 | -0.025 | 80.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | SER | 0 | 0.051 | 0.005 | 77.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | THR | 0 | -0.017 | 0.017 | 73.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | GLU | -1 | -0.899 | -0.937 | 75.767 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | GLN | 0 | -0.028 | -0.019 | 70.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | GLU | -1 | -0.840 | -0.901 | 69.361 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | THR | 0 | 0.005 | -0.023 | 65.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | SER | 0 | -0.071 | -0.046 | 61.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | THR | 0 | 0.015 | -0.001 | 62.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | ASP | -1 | -0.858 | -0.954 | 59.078 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | LYS | 1 | 0.848 | 0.948 | 60.649 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | ASP | -1 | -0.811 | -0.850 | 61.431 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | MET | 0 | -0.026 | -0.008 | 63.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | THR | 0 | -0.051 | -0.036 | 67.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | ILE | 0 | 0.015 | 0.010 | 69.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | THR | 0 | -0.050 | -0.023 | 72.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | PHE | 0 | 0.023 | 0.028 | 74.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | THR | 0 | -0.028 | -0.023 | 77.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | ASN | 0 | -0.050 | 0.016 | 81.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | LYS | 1 | 0.911 | 0.965 | 83.592 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | LYS | 1 | 0.931 | 0.984 | 86.987 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | VAL | 0 | -0.051 | -0.033 | 89.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | PHE | 0 | 0.031 | 0.027 | 93.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |