![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QY95Y
Calculation Name: 4Z9P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4Z9P
Chain ID: A
UniProt ID: P18272
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 307 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4321184.907775 |
---|---|
FMO2-HF: Nuclear repulsion | 4201796.240628 |
FMO2-HF: Total energy | -119388.667146 |
FMO2-MP2: Total energy | -119738.336462 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031569/ligand_interaction/ligand_F031569.png)
Ligand Interaction
![ligand interaction](./Kdata/F031569/ligand_interaction/ligand_interaction_F031569.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:35:ALA)
Summations of interaction energy for
fragment #1(A:35:ALA)
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. |
-3.89 | -2.377 | -0.004 | -0.629 | -0.88 | 0.002 |
Interaction energy analysis for fragmet #1(A:35:ALA)
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 | 37 | ARG | 1 | 0.943 | 0.977 | 3.813 | -3.894 | -2.563 | -0.005 | -0.574 | -0.752 | 0.002 |
4 | A | 38 | GLN | 0 | 0.009 | 0.002 | 4.007 | -0.678 | -0.496 | 0.001 | -0.055 | -0.128 | 0.000 |
5 | A | 39 | ARG | 1 | 0.933 | 0.969 | 6.572 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 40 | VAL | 0 | -0.017 | -0.015 | 8.553 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | ILE | 0 | 0.007 | 0.003 | 12.020 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | PRO | 0 | -0.009 | 0.000 | 14.968 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | VAL | 0 | 0.034 | 0.023 | 18.500 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | TYR | 0 | 0.001 | -0.018 | 20.917 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | GLN | 0 | 0.001 | -0.004 | 24.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | VAL | 0 | 0.024 | 0.022 | 27.168 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | ASN | 0 | -0.041 | -0.028 | 30.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | ASN | 0 | 0.006 | -0.035 | 32.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | LEU | 0 | 0.008 | 0.027 | 27.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 50 | GLU | -1 | -0.847 | -0.915 | 31.545 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | GLU | -1 | -0.664 | -0.796 | 33.881 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | ILE | 0 | -0.010 | -0.022 | 29.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | CYS | 0 | -0.091 | -0.057 | 29.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 54 | GLN | 0 | 0.004 | 0.003 | 30.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | LEU | 0 | 0.051 | 0.042 | 31.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | ILE | 0 | -0.086 | -0.045 | 26.126 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 57 | ILE | 0 | -0.039 | -0.021 | 29.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | GLN | 0 | 0.041 | 0.033 | 30.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | ALA | 0 | -0.001 | -0.003 | 29.226 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | PHE | 0 | -0.046 | -0.052 | 22.971 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | GLU | -1 | -0.866 | -0.910 | 28.684 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | ALA | 0 | -0.029 | -0.006 | 32.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | GLY | 0 | -0.048 | -0.020 | 28.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | VAL | 0 | -0.047 | -0.018 | 27.060 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | ASP | -1 | -0.860 | -0.914 | 22.755 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | PHE | 0 | 0.004 | -0.023 | 22.482 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | GLN | 0 | -0.065 | -0.045 | 19.812 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.882 | -0.918 | 16.096 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | SER | 0 | -0.035 | -0.017 | 17.263 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | ALA | 0 | 0.007 | 0.005 | 19.005 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ASP | -1 | -0.848 | -0.922 | 14.435 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | SER | 0 | -0.018 | -0.029 | 17.809 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | PHE | 0 | 0.018 | 0.005 | 19.825 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | LEU | 0 | 0.011 | 0.006 | 19.763 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | -0.009 | 0.002 | 17.848 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | MET | 0 | -0.008 | 0.010 | 21.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | LEU | 0 | 0.042 | 0.029 | 24.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | CYS | 0 | -0.053 | -0.030 | 22.437 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | LEU | 0 | -0.028 | -0.011 | 23.997 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | HIS | 0 | 0.050 | 0.005 | 25.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | HIS | 0 | -0.071 | -0.034 | 27.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | ALA | 0 | -0.016 | -0.009 | 25.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | TYR | 0 | -0.030 | -0.035 | 21.262 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | GLN | 0 | -0.017 | 0.008 | 27.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLY | 0 | 0.026 | 0.014 | 29.100 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | ASP | -1 | -0.878 | -0.926 | 28.857 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | TYR | 0 | 0.014 | -0.026 | 24.771 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | LYS | 1 | 0.842 | 0.913 | 24.496 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | LEU | 0 | 0.023 | 0.004 | 24.686 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | PHE | 0 | 0.008 | 0.000 | 18.829 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | -0.035 | -0.011 | 19.765 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLU | -1 | -0.871 | -0.904 | 19.767 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | SER | 0 | 0.027 | 0.014 | 20.357 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | GLY | 0 | 0.010 | -0.011 | 18.980 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | ALA | 0 | -0.001 | 0.007 | 17.119 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | VAL | 0 | 0.029 | 0.017 | 15.347 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | LYS | 1 | 0.929 | 0.971 | 14.323 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | TYR | 0 | -0.008 | 0.008 | 11.146 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | LEU | 0 | -0.005 | -0.002 | 10.724 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 100 | GLU | -1 | -0.914 | -0.965 | 9.557 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 101 | GLY | 0 | -0.038 | 0.004 | 9.733 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | HIS | 1 | 0.740 | 0.845 | 6.324 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLY | 0 | 0.039 | 0.030 | 5.175 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | PHE | 0 | -0.024 | -0.005 | 5.720 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | ARG | 1 | 0.886 | 0.924 | 9.384 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | PHE | 0 | 0.045 | 0.031 | 12.040 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | GLU | -1 | -0.818 | -0.883 | 15.593 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | VAL | 0 | 0.029 | 0.023 | 18.146 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | LYS | 1 | 0.846 | 0.915 | 19.110 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | LYS | 1 | 0.857 | 0.911 | 24.064 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | ARG | 1 | 0.877 | 0.943 | 25.092 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ASP | -1 | -0.781 | -0.876 | 29.575 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | GLY | 0 | -0.007 | -0.010 | 33.335 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.058 | -0.012 | 30.146 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | LYS | 1 | 0.857 | 0.902 | 33.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.836 | 0.906 | 33.802 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | LEU | 0 | 0.047 | 0.026 | 27.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLU | -1 | -0.823 | -0.911 | 28.725 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | GLU | -1 | -0.849 | -0.917 | 29.504 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | LEU | 0 | -0.055 | -0.040 | 25.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | LEU | 0 | -0.039 | -0.013 | 24.493 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | PRO | 0 | -0.049 | 0.000 | 20.669 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | ALA | 0 | -0.003 | -0.016 | 23.521 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | VAL | 0 | -0.021 | -0.010 | 20.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | SER | 0 | 0.012 | -0.011 | 21.841 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | SER | 0 | -0.017 | -0.023 | 20.111 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | GLY | 0 | 0.057 | 0.014 | 22.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | LYS | 1 | 0.877 | 0.948 | 25.723 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ASN | 0 | 0.049 | 0.002 | 29.034 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | ILE | 0 | 0.084 | 0.069 | 24.023 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | LYS | 1 | 0.987 | 0.994 | 28.071 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | ARG | 1 | 0.903 | 0.955 | 30.796 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | THR | 0 | -0.008 | -0.015 | 31.037 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | LEU | 0 | 0.008 | -0.001 | 28.156 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | ALA | 0 | -0.004 | 0.005 | 32.665 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | ALA | 0 | -0.088 | -0.039 | 35.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | MET | 0 | -0.065 | -0.018 | 32.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | PRO | 0 | 0.000 | 0.021 | 36.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 139 | GLU | -1 | -0.878 | -0.956 | 38.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | GLU | -1 | -0.948 | -0.960 | 37.530 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | GLU | -1 | -0.885 | -0.955 | 38.169 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 142 | THR | 0 | -0.101 | -0.055 | 37.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | -0.019 | -0.026 | 36.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLU | -1 | -0.903 | -0.944 | 38.139 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | ALA | 0 | -0.036 | -0.016 | 35.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | ASN | 0 | 0.064 | 0.041 | 34.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | ALA | 0 | 0.070 | 0.020 | 29.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | GLY | 0 | 0.070 | 0.034 | 29.935 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | GLN | 0 | -0.019 | -0.013 | 31.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | PHE | 0 | 0.010 | 0.005 | 25.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | LEU | 0 | -0.026 | -0.016 | 24.772 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | SER | 0 | 0.019 | 0.005 | 27.551 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | PHE | 0 | 0.014 | 0.013 | 29.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | ALA | 0 | 0.035 | 0.002 | 25.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | 0.004 | -0.012 | 25.707 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | LEU | 0 | -0.031 | -0.001 | 26.764 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | PHE | 0 | -0.018 | -0.024 | 26.219 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | -0.030 | -0.013 | 21.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | PRO | 0 | -0.013 | -0.007 | 24.533 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | LYS | 1 | 0.900 | 0.947 | 26.735 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | LEU | 0 | 0.029 | 0.039 | 20.926 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | VAL | 0 | -0.056 | -0.045 | 20.153 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | -0.043 | -0.012 | 23.201 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | GLY | 0 | 0.026 | 0.021 | 26.413 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | GLU | -1 | -0.777 | -0.867 | 27.593 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | LYS | 1 | 1.008 | 1.000 | 29.558 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | ALA | 0 | -0.011 | -0.010 | 30.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | CYS | 0 | -0.014 | 0.006 | 28.146 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LEU | 0 | 0.026 | 0.006 | 30.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLU | -1 | -0.816 | -0.882 | 32.969 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | LYS | 1 | 0.797 | 0.880 | 30.986 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | VAL | 0 | 0.037 | 0.015 | 30.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLN | 0 | 0.020 | 0.007 | 33.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | ARG | 1 | 0.875 | 0.921 | 35.787 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | GLN | 0 | 0.008 | 0.016 | 33.130 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | ILE | 0 | 0.022 | 0.007 | 35.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | GLN | 0 | -0.028 | -0.019 | 37.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | VAL | 0 | -0.026 | -0.008 | 38.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | HIS | 0 | 0.018 | -0.012 | 33.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ALA | 0 | 0.020 | 0.015 | 39.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | GLU | -1 | -0.898 | -0.933 | 42.139 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | GLN | 0 | -0.116 | -0.049 | 40.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | GLY | 0 | 0.009 | 0.018 | 43.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | LEU | 0 | -0.086 | -0.028 | 36.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | ILE | 0 | -0.036 | -0.037 | 35.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | GLN | 0 | 0.016 | 0.016 | 39.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | TYR | 0 | -0.015 | -0.031 | 33.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | PRO | 0 | 0.083 | 0.045 | 37.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | THR | 0 | 0.017 | -0.006 | 39.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ALA | 0 | 0.057 | 0.039 | 38.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | TRP | 0 | -0.048 | -0.054 | 33.276 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | GLN | 0 | -0.045 | -0.033 | 36.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | SER | 0 | 0.002 | 0.021 | 38.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | VAL | 0 | 0.039 | -0.008 | 36.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | GLY | 0 | 0.006 | -0.003 | 34.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | HIS | 0 | 0.079 | 0.068 | 32.816 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | MET | 0 | -0.031 | -0.015 | 31.963 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | MET | 0 | -0.032 | -0.015 | 30.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | VAL | 0 | 0.019 | 0.028 | 28.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | ILE | 0 | 0.032 | 0.018 | 27.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | PHE | 0 | -0.013 | -0.010 | 25.861 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | ARG | 1 | 0.818 | 0.875 | 24.429 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | LEU | 0 | 0.031 | 0.047 | 21.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | MET | 0 | 0.028 | 0.014 | 21.183 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ARG | 1 | 0.881 | 0.951 | 18.348 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | THR | 0 | -0.053 | -0.046 | 18.114 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | ASN | 0 | 0.033 | 0.020 | 16.624 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | PHE | 0 | -0.030 | -0.010 | 11.107 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | LEU | 0 | 0.053 | 0.033 | 14.336 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | ILE | 0 | 0.051 | 0.023 | 15.799 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | LYS | 1 | 0.820 | 0.902 | 16.884 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | PHE | 0 | 0.002 | -0.006 | 13.774 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | 0.011 | -0.003 | 16.632 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | LEU | 0 | 0.024 | 0.023 | 19.145 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | ILE | 0 | -0.007 | -0.017 | 18.460 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | HIS | 0 | 0.007 | 0.002 | 18.190 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | GLN | 0 | 0.006 | -0.013 | 20.189 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | GLY | 0 | -0.024 | -0.017 | 23.561 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | MET | 0 | -0.111 | -0.048 | 19.543 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 1 | 0.712 | 0.835 | 20.421 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | MET | 0 | 0.050 | 0.059 | 25.180 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | VAL | 0 | 0.025 | 0.019 | 28.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | -0.012 | -0.022 | 30.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLY | 0 | -0.006 | -0.004 | 34.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | HIS | 0 | -0.020 | 0.007 | 32.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | ASP | -1 | -0.713 | -0.866 | 33.458 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.040 | 0.022 | 34.704 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | ASN | 0 | -0.010 | -0.030 | 31.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ASP | -1 | -0.763 | -0.875 | 29.239 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | ALA | 0 | -0.010 | 0.010 | 30.571 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | VAL | 0 | 0.000 | 0.011 | 31.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | ILE | 0 | 0.007 | 0.018 | 25.908 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | SER | 0 | 0.019 | -0.012 | 27.502 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASN | 0 | -0.037 | -0.003 | 28.629 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | SER | 0 | -0.014 | -0.026 | 27.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | VAL | 0 | -0.003 | 0.002 | 23.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ALA | 0 | -0.017 | -0.012 | 25.286 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | GLN | 0 | -0.037 | -0.017 | 27.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | ALA | 0 | -0.034 | -0.003 | 23.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | ARG | 1 | 0.933 | 0.985 | 23.342 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | PHE | 0 | -0.005 | -0.025 | 21.936 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | SER | 0 | -0.027 | -0.001 | 23.159 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | GLY | 0 | -0.013 | -0.022 | 21.681 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | LEU | 0 | -0.033 | -0.023 | 18.423 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | LEU | 0 | 0.030 | 0.018 | 22.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | ILE | 0 | 0.017 | 0.027 | 23.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | VAL | 0 | 0.012 | -0.001 | 20.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LYS | 1 | 0.940 | 0.978 | 24.386 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | THR | 0 | 0.043 | 0.005 | 27.019 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | VAL | 0 | -0.006 | 0.007 | 27.100 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | LEU | 0 | -0.060 | -0.049 | 24.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ASP | -1 | -0.916 | -0.941 | 28.814 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | HIS | 0 | -0.014 | -0.014 | 31.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | ILE | 0 | -0.052 | -0.028 | 31.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | LEU | 0 | -0.034 | -0.008 | 29.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | GLN | 0 | 0.067 | 0.022 | 32.705 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LYS | 1 | 0.883 | 0.952 | 36.047 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | THR | 0 | -0.038 | -0.007 | 38.341 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLU | -1 | -0.762 | -0.840 | 41.532 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ARG | 1 | 0.842 | 0.894 | 40.441 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | GLY | 0 | 0.051 | 0.014 | 37.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | VAL | 0 | -0.004 | -0.007 | 32.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.827 | 0.903 | 34.892 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | LEU | 0 | 0.023 | 0.017 | 30.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | HIS | 0 | 0.114 | 0.068 | 34.525 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | PRO | 0 | 0.008 | -0.007 | 36.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | LEU | 0 | 0.019 | 0.007 | 37.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | ALA | 0 | -0.047 | -0.021 | 32.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | ARG | 1 | 0.886 | 0.931 | 33.829 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | THR | 0 | -0.008 | 0.008 | 36.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | ALA | 0 | 0.062 | 0.012 | 35.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.910 | 0.969 | 34.632 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | VAL | 0 | 0.066 | 0.046 | 31.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | LYS | 1 | 0.976 | 0.982 | 30.893 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ASN | 0 | 0.018 | 0.007 | 28.253 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | GLU | -1 | -0.736 | -0.861 | 26.639 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | VAL | 0 | 0.021 | 0.017 | 26.238 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | ASN | 0 | -0.042 | -0.026 | 25.457 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | SER | 0 | -0.007 | -0.014 | 22.416 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | PHE | 0 | 0.031 | 0.020 | 21.365 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LYS | 1 | 0.969 | 0.987 | 21.697 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | ALA | 0 | -0.030 | -0.012 | 18.983 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | ALA | 0 | 0.026 | 0.011 | 17.182 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | LEU | 0 | 0.026 | 0.012 | 17.157 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | SER | 0 | -0.020 | -0.006 | 17.970 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | SER | 0 | -0.039 | -0.029 | 12.538 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | LEU | 0 | -0.013 | 0.008 | 13.624 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ALA | 0 | 0.030 | 0.008 | 15.502 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LYS | 1 | 0.854 | 0.930 | 12.020 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | HIS | 0 | -0.037 | -0.012 | 9.332 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | GLY | 0 | 0.035 | 0.019 | 13.443 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | GLU | -1 | -0.829 | -0.901 | 16.672 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | TYR | 0 | 0.017 | -0.009 | 14.435 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | ALA | 0 | -0.010 | 0.009 | 16.208 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | PRO | 0 | -0.035 | -0.023 | 17.124 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | PHE | 0 | 0.032 | 0.008 | 17.614 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | ALA | 0 | 0.034 | 0.020 | 14.519 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 0.888 | 0.957 | 14.713 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LEU | 0 | 0.022 | 0.005 | 16.928 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | LEU | 0 | -0.026 | -0.006 | 13.409 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | ASN | 0 | -0.061 | -0.031 | 12.223 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | LEU | 0 | 0.037 | 0.035 | 10.008 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | SER | 0 | 0.051 | 0.007 | 7.016 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | GLY | 0 | -0.004 | -0.003 | 9.134 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | VAL | 0 | 0.027 | 0.016 | 12.066 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | ASN | 0 | -0.005 | -0.013 | 13.964 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | ASN | 0 | -0.023 | -0.005 | 14.128 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | LEU | 0 | -0.033 | -0.021 | 17.288 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | GLU | -1 | -0.896 | -0.936 | 19.668 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | HIS | 0 | 0.055 | 0.027 | 21.437 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | GLY | 0 | 0.027 | 0.008 | 25.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LEU | 0 | -0.059 | -0.020 | 20.383 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | PHE | 0 | -0.072 | -0.034 | 21.682 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | PRO | 0 | 0.039 | 0.029 | 27.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | GLN | 0 | -0.027 | -0.037 | 30.869 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | LEU | 0 | -0.025 | -0.020 | 27.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | SER | 0 | -0.007 | -0.015 | 29.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | ALA | 0 | 0.013 | 0.010 | 31.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ILE | 0 | -0.029 | -0.017 | 34.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | ALA | 0 | 0.003 | -0.004 | 32.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | LEU | 0 | -0.006 | 0.010 | 34.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | GLY | 0 | 0.009 | 0.012 | 36.502 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | VAL | 0 | -0.093 | -0.043 | 36.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | ALA | 0 | -0.038 | -0.011 | 36.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | THR | 0 | -0.059 | -0.023 | 38.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 335 | ASN | 0 | 0.009 | -0.016 | 21.433 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 336 | VAL | 0 | 0.024 | 0.000 | 19.528 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 337 | GLY | 0 | 0.009 | 0.000 | 20.640 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 338 | GLU | -1 | -0.858 | -0.918 | 21.237 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 339 | GLN | 0 | 0.058 | 0.024 | 24.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 340 | TYR | 0 | -0.007 | -0.001 | 21.571 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 341 | GLN | 0 | 0.015 | 0.007 | 22.508 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 342 | GLN | 0 | 0.055 | 0.029 | 25.767 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 343 | LEU | 0 | 0.017 | 0.019 | 24.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 344 | ARG | 1 | 0.860 | 0.909 | 24.319 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 345 | GLU | -1 | -0.937 | -0.944 | 27.088 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 346 | ALA | 0 | 0.028 | 0.012 | 30.639 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 347 | ALA | 0 | -0.055 | -0.040 | 28.615 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 348 | THR | 0 | -0.094 | -0.063 | 29.590 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 349 | GLU | -1 | -0.859 | -0.915 | 31.669 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 350 | ALA | 0 | -0.047 | -0.011 | 33.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |