![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R5N58
Calculation Name: 3LZC-A-Xray317
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LZC
Chain ID: A
UniProt ID: O58832
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 343 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -5318365.560022 |
---|---|
FMO2-HF: Nuclear repulsion | 5185183.606748 |
FMO2-HF: Total energy | -133181.953274 |
FMO2-MP2: Total energy | -133576.2192 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F016044/ligand_interaction/ligand_F016044.png)
Ligand Interaction
![ligand interaction](./Kdata/F016044/ligand_interaction/ligand_interaction_F016044.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:0:ACE )
Summations of interaction energy for
fragment #1(A:0:ACE )
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. |
-0.602 | 0.773 | 0.022 | -0.763 | -0.633 | -0.003 |
Interaction energy analysis for fragmet #1(A:0:ACE )
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 | 2 | LEU | 0 | 0.012 | 0.029 | 3.815 | 0.733 | 1.722 | -0.007 | -0.446 | -0.536 | -0.001 |
4 | A | 3 | HIS | 0 | -0.099 | -0.062 | 5.527 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | GLU | -1 | -0.921 | -0.960 | 3.600 | -0.748 | -0.362 | 0.029 | -0.317 | -0.097 | -0.002 |
6 | A | 5 | ILE | 0 | 0.005 | 0.001 | 6.932 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 6 | PRO | 0 | 0.090 | 0.056 | 6.292 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 7 | LYS | 1 | 0.904 | 0.952 | 7.312 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | SER | 0 | 0.046 | 0.014 | 8.458 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | GLU | -1 | -0.941 | -0.965 | 7.419 | -1.200 | -1.200 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | ILE | 0 | 0.011 | 0.002 | 10.761 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | LEU | 0 | 0.016 | 0.013 | 12.719 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | LYS | 1 | 0.925 | 0.961 | 12.557 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | GLU | -1 | -0.887 | -0.966 | 14.886 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | LEU | 0 | 0.006 | 0.014 | 16.978 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | LYS | 1 | 0.950 | 0.972 | 18.089 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | ARG | 1 | 0.845 | 0.935 | 16.963 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | ILE | 0 | -0.044 | -0.019 | 21.233 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | GLY | 0 | -0.016 | 0.006 | 22.921 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | ALA | 0 | -0.049 | -0.019 | 22.033 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | LYS | 1 | 0.894 | 0.939 | 23.002 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | ARG | 1 | 0.800 | 0.889 | 24.800 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | VAL | 0 | 0.000 | 0.005 | 19.856 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | LEU | 0 | 0.020 | 0.017 | 23.248 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | ILE | 0 | 0.014 | 0.006 | 17.564 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | GLN | 0 | 0.030 | 0.009 | 21.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | SER | 0 | 0.033 | 0.008 | 19.307 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | PRO | 0 | -0.007 | 0.003 | 18.914 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | GLU | -1 | -0.840 | -0.925 | 21.006 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | GLY | 0 | -0.041 | -0.025 | 19.473 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | LEU | 0 | -0.001 | 0.008 | 14.161 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | ARG | 1 | 0.831 | 0.925 | 17.653 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | ARG | 1 | 0.996 | 0.985 | 17.660 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | GLU | -1 | -0.852 | -0.927 | 13.129 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | ALA | 0 | -0.034 | -0.029 | 14.981 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | GLU | -1 | -0.903 | -0.950 | 17.384 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | GLU | -1 | -0.873 | -0.919 | 12.698 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | LEU | 0 | -0.071 | -0.043 | 12.517 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | ALA | 0 | 0.010 | -0.005 | 14.636 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | GLY | 0 | 0.087 | 0.048 | 18.154 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | PHE | 0 | 0.020 | 0.005 | 12.292 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | LEU | 0 | -0.035 | -0.037 | 15.161 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | GLU | -1 | -0.852 | -0.926 | 17.310 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | GLU | -1 | -0.971 | -0.975 | 16.822 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | ASN | 0 | -0.125 | -0.061 | 15.828 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | ASN | 0 | -0.092 | -0.054 | 19.358 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | ILE | 0 | -0.035 | -0.016 | 18.948 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | GLU | -1 | -0.861 | -0.916 | 22.161 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | VAL | 0 | -0.006 | -0.003 | 19.748 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | PHE | 0 | -0.005 | 0.012 | 23.000 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | LEU | 0 | 0.035 | 0.009 | 20.627 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | HIS | 0 | -0.013 | -0.024 | 23.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | GLY | 0 | 0.028 | 0.010 | 25.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | GLU | -1 | -0.933 | -0.957 | 27.907 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | ILE | 0 | -0.007 | 0.004 | 25.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | ASN | 0 | -0.001 | -0.002 | 23.449 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | TYR | 0 | -0.027 | -0.045 | 24.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | GLY | 0 | -0.025 | -0.026 | 24.070 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | ALA | 0 | 0.052 | 0.036 | 22.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | CYS | 0 | -0.092 | -0.039 | 24.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | ASP | -1 | -0.896 | -0.961 | 27.038 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | PRO | 0 | -0.001 | 0.031 | 25.578 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | ALA | 0 | 0.033 | 0.024 | 25.910 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | ASP | -1 | -0.714 | -0.851 | 27.182 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | ARG | 1 | 0.908 | 0.950 | 28.387 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | GLU | -1 | -0.873 | -0.943 | 29.727 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | ALA | 0 | 0.010 | 0.007 | 26.931 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | LYS | 1 | 0.955 | 0.976 | 28.791 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | LEU | 0 | -0.069 | -0.035 | 31.684 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | VAL | 0 | -0.016 | 0.001 | 29.678 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | GLY | 0 | 0.013 | 0.001 | 31.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | CYS | 0 | -0.090 | -0.015 | 26.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | ASP | -1 | -0.790 | -0.880 | 25.303 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | ALA | 0 | -0.030 | -0.027 | 22.294 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | LEU | 0 | -0.050 | -0.016 | 22.477 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | ILE | 0 | 0.026 | 0.012 | 16.222 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | HIS | 0 | -0.032 | -0.018 | 18.823 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | LEU | 0 | 0.041 | 0.014 | 14.141 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | GLY | 0 | 0.011 | 0.007 | 15.670 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | HIS | 1 | 0.771 | 0.877 | 16.953 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | SER | 0 | 0.048 | 0.012 | 18.128 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | TYR | 0 | -0.002 | 0.011 | 19.365 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | MET | 0 | -0.007 | 0.024 | 22.209 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | LYS | 1 | 0.973 | 0.975 | 25.790 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | LEU | 0 | -0.040 | -0.017 | 27.878 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | PRO | 0 | -0.013 | 0.009 | 29.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | LEU | 0 | 0.003 | -0.018 | 25.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | GLU | -1 | -0.982 | -1.017 | 29.412 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | VAL | 0 | 0.053 | 0.047 | 25.783 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | PRO | 0 | 0.037 | 0.020 | 23.733 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | THR | 0 | -0.041 | -0.017 | 21.158 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | ILE | 0 | 0.029 | 0.017 | 15.409 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | PHE | 0 | -0.053 | -0.031 | 17.591 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | VAL | 0 | 0.036 | 0.010 | 11.733 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | PRO | 0 | -0.027 | -0.005 | 13.983 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | ALA | 0 | 0.028 | 0.025 | 12.712 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | PHE | 0 | 0.007 | -0.006 | 10.789 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | ALA | 0 | -0.005 | 0.008 | 11.457 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | ARG | 1 | 0.974 | 0.962 | 5.815 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | VAL | 0 | -0.043 | -0.003 | 11.973 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | SER | 0 | -0.013 | -0.005 | 15.351 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | VAL | 0 | 0.037 | -0.005 | 16.449 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | VAL | 0 | 0.026 | 0.011 | 19.631 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | GLU | -1 | -0.845 | -0.915 | 19.245 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | ALA | 0 | 0.007 | -0.002 | 22.625 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | LEU | 0 | -0.046 | -0.016 | 23.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | LYS | 1 | 0.934 | 0.958 | 23.520 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | GLU | -1 | -0.966 | -0.976 | 27.036 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | ASN | 0 | -0.030 | -0.017 | 28.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | ILE | 0 | 0.041 | 0.026 | 29.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | GLY | 0 | 0.000 | -0.007 | 31.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | GLU | -1 | -0.808 | -0.921 | 33.566 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | ILE | 0 | 0.006 | -0.004 | 28.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | LYS | 1 | 0.989 | 0.997 | 33.355 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | LYS | 1 | 0.822 | 0.936 | 36.209 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | LEU | 0 | -0.021 | -0.009 | 33.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | GLY | 0 | -0.009 | 0.017 | 37.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | ARG | 1 | 0.928 | 0.955 | 36.908 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | LYS | 1 | 0.896 | 0.950 | 35.598 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | ILE | 0 | -0.004 | -0.001 | 30.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | ILE | 0 | -0.023 | 0.001 | 31.188 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | VAL | 0 | 0.015 | 0.022 | 25.523 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | THR | 0 | -0.051 | -0.030 | 26.282 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | THR | 0 | 0.026 | -0.007 | 20.896 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | THR | 0 | -0.010 | -0.005 | 21.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | ALA | 0 | 0.034 | -0.007 | 18.828 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | GLN | 0 | 0.011 | 0.022 | 16.223 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | HIS | 0 | 0.061 | 0.025 | 15.637 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | ILE | 0 | -0.004 | 0.015 | 16.536 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | HIS | 0 | -0.021 | -0.025 | 12.106 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | GLN | 0 | 0.105 | 0.067 | 13.680 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | LEU | 0 | -0.045 | -0.011 | 16.869 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | LYS | 1 | 0.832 | 0.929 | 16.623 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | GLU | -1 | -0.819 | -0.915 | 15.640 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | ALA | 0 | -0.026 | -0.007 | 19.818 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | LYS | 1 | 0.898 | 0.944 | 22.520 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | GLU | -1 | -0.903 | -0.953 | 22.569 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | PHE | 0 | 0.038 | 0.017 | 23.575 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | LEU | 0 | -0.024 | -0.012 | 25.228 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | GLU | -1 | -0.884 | -0.948 | 27.815 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | SER | 0 | -0.064 | -0.013 | 27.502 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | GLU | -1 | -0.944 | -0.977 | 29.450 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | GLY | 0 | -0.066 | -0.037 | 31.664 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | PHE | 0 | -0.108 | -0.048 | 31.334 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | GLU | -1 | -0.860 | -0.918 | 32.650 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | VAL | 0 | 0.019 | 0.002 | 27.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | SER | 0 | -0.075 | -0.036 | 30.444 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | ILE | 0 | 0.030 | 0.008 | 24.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | GLY | 0 | 0.002 | 0.010 | 28.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | ARG | 1 | 0.904 | 0.934 | 27.153 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | GLY | 0 | 0.053 | 0.028 | 27.743 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | ASP | -1 | -0.783 | -0.879 | 30.014 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | SER | 0 | -0.059 | -0.043 | 29.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | ARG | 1 | 0.858 | 0.905 | 28.559 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | ILE | 0 | -0.095 | -0.025 | 25.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | SER | 0 | 0.024 | 0.008 | 21.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | TRP | 0 | -0.012 | -0.013 | 16.832 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | PRO | 0 | 0.007 | -0.002 | 22.648 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | GLY | 0 | 0.049 | 0.022 | 23.425 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | GLN | 0 | 0.015 | 0.014 | 22.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | VAL | 0 | -0.018 | -0.005 | 24.293 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | LEU | 0 | -0.005 | -0.013 | 24.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | GLY | 0 | 0.001 | 0.003 | 27.602 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | CYS | 0 | -0.052 | -0.023 | 30.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | ASN | 0 | -0.015 | -0.018 | 30.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | TYR | 0 | 0.099 | 0.048 | 30.211 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | SER | 0 | 0.021 | 0.002 | 31.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | VAL | 0 | -0.049 | -0.006 | 26.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ALA | 0 | 0.037 | 0.010 | 30.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | LYS | 1 | 0.827 | 0.937 | 32.625 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | VAL | 0 | 0.035 | 0.020 | 32.759 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | ARG | 1 | 0.938 | 0.966 | 35.883 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | GLY | 0 | 0.022 | -0.016 | 36.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | GLU | -1 | -0.880 | -0.924 | 37.281 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | GLY | 0 | 0.045 | 0.016 | 36.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | ILE | 0 | -0.029 | -0.004 | 31.429 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | LEU | 0 | 0.055 | 0.024 | 27.090 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | PHE | 0 | -0.026 | -0.021 | 25.734 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | ILE | 0 | 0.041 | 0.026 | 21.997 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | GLY | 0 | 0.002 | 0.005 | 22.890 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | SER | 0 | 0.020 | 0.011 | 23.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | GLY | 0 | -0.030 | -0.011 | 25.424 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | ILE | 0 | 0.037 | 0.011 | 28.481 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | PHE | 0 | -0.002 | -0.020 | 30.682 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | HIS | 0 | 0.054 | 0.027 | 26.098 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | PRO | 0 | 0.039 | 0.038 | 29.304 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | LEU | 0 | 0.012 | 0.004 | 31.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | GLY | 0 | 0.011 | -0.003 | 33.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | LEU | 0 | -0.005 | -0.004 | 30.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | ALA | 0 | 0.028 | 0.034 | 34.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | VAL | 0 | -0.029 | -0.011 | 37.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | ALA | 0 | -0.035 | -0.006 | 36.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | THR | 0 | -0.079 | -0.067 | 35.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | ARG | 1 | 0.844 | 0.925 | 38.779 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | LYS | 1 | 0.864 | 0.944 | 37.726 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | LYS | 1 | 0.865 | 0.924 | 38.424 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | VAL | 0 | -0.018 | -0.007 | 32.748 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | LEU | 0 | -0.001 | 0.020 | 31.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | ALA | 0 | -0.042 | -0.030 | 29.678 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | ILE | 0 | 0.035 | 0.005 | 25.768 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | ASP | -1 | -0.817 | -0.896 | 24.237 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | PRO | 0 | -0.001 | -0.018 | 20.076 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | TYR | 0 | -0.033 | -0.018 | 17.360 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | THR | 0 | -0.012 | -0.021 | 22.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | LYS | 1 | 0.959 | 0.991 | 23.690 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | ALA | 0 | 0.018 | 0.036 | 26.494 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | PHE | 0 | 0.011 | -0.005 | 28.892 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | SER | 0 | -0.030 | -0.020 | 31.466 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | TRP | 0 | -0.008 | 0.002 | 33.944 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | ILE | 0 | -0.039 | -0.019 | 33.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | ASP | -1 | -0.778 | -0.886 | 37.154 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | PRO | 0 | -0.009 | -0.014 | 39.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | GLU | -1 | -0.772 | -0.852 | 41.170 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | ARG | 1 | 0.869 | 0.909 | 39.600 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | PHE | 0 | -0.049 | -0.023 | 39.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | ILE | 0 | 0.064 | 0.015 | 42.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | ARG | 1 | 0.914 | 0.936 | 44.924 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | LYS | 1 | 0.919 | 0.963 | 41.478 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | ARG | 1 | 0.788 | 0.874 | 42.334 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | TRP | 0 | 0.067 | 0.035 | 46.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | ALA | 0 | 0.000 | 0.008 | 49.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | GLN | 0 | -0.044 | -0.025 | 46.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | ILE | 0 | 0.029 | 0.010 | 48.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | ALA | 0 | -0.007 | -0.001 | 51.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | LYS | 1 | 0.931 | 0.961 | 50.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | ALA | 0 | -0.018 | 0.000 | 51.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | MET | 0 | -0.047 | -0.031 | 53.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | ASP | -1 | -0.898 | -0.943 | 56.842 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | ALA | 0 | -0.039 | 0.005 | 55.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | LYS | 1 | 0.939 | 0.959 | 57.094 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | LYS | 1 | 0.870 | 0.962 | 56.109 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | PHE | 0 | 0.050 | 0.016 | 50.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | GLY | 0 | -0.003 | 0.003 | 49.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | VAL | 0 | -0.044 | -0.032 | 46.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | ILE | 0 | 0.025 | 0.011 | 41.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | VAL | 0 | -0.017 | -0.005 | 41.121 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | SER | 0 | 0.008 | -0.010 | 36.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | ILE | 0 | -0.007 | -0.023 | 36.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | LYS | 1 | 0.839 | 0.933 | 31.298 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | LYS | 1 | 0.840 | 0.896 | 30.892 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | GLY | 0 | 0.022 | 0.020 | 30.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | GLN | 0 | -0.059 | -0.061 | 31.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | LEU | 0 | 0.008 | 0.028 | 34.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | ARG | 1 | 0.834 | 0.901 | 37.730 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | LEU | 0 | 0.038 | 0.016 | 40.545 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | ALA | 0 | -0.007 | -0.013 | 43.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | GLU | -1 | -0.820 | -0.926 | 43.134 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | ALA | 0 | 0.029 | 0.030 | 44.418 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | LYS | 1 | 0.969 | 0.956 | 46.160 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ARG | 1 | 0.868 | 0.956 | 47.576 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | ILE | 0 | 0.051 | 0.030 | 46.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | VAL | 0 | -0.007 | 0.002 | 49.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | LYS | 1 | 0.929 | 0.961 | 52.211 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | LEU | 0 | -0.006 | -0.003 | 52.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | LEU | 0 | 0.034 | 0.010 | 51.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | LYS | 1 | 0.941 | 0.978 | 55.381 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | LYS | 1 | 0.853 | 0.949 | 57.895 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | HIS | 0 | 0.030 | 0.012 | 57.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | GLY | 0 | 0.037 | 0.026 | 59.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | ARG | 1 | 0.933 | 0.984 | 56.596 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | GLU | -1 | -0.967 | -0.994 | 57.949 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | ALA | 0 | -0.005 | -0.006 | 52.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | ARG | 1 | 0.916 | 0.957 | 51.031 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | LEU | 0 | -0.028 | -0.003 | 45.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | ILE | 0 | -0.024 | -0.011 | 45.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | VAL | 0 | 0.016 | 0.010 | 42.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | MET | 0 | 0.001 | 0.014 | 40.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | ASN | 0 | 0.085 | 0.047 | 33.833 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | ASP | -1 | -0.814 | -0.893 | 33.319 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | VAL | 0 | -0.017 | -0.028 | 36.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | ASN | 0 | -0.010 | -0.025 | 37.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | TYR | 0 | 0.105 | 0.041 | 40.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | HIS | 0 | 0.023 | 0.018 | 42.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | LYS | 1 | 0.910 | 0.956 | 38.306 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | LEU | 0 | -0.067 | -0.052 | 44.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | GLU | -1 | -0.907 | -0.933 | 46.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | GLY | 0 | 0.023 | 0.022 | 49.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | PHE | 0 | -0.061 | -0.031 | 47.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | PRO | 0 | -0.008 | -0.024 | 52.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | PHE | 0 | -0.068 | -0.023 | 50.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | GLU | -1 | -0.762 | -0.903 | 53.105 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | ALA | 0 | 0.028 | 0.012 | 50.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | TYR | 0 | -0.006 | -0.008 | 46.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 283 | VAL | 0 | 0.009 | 0.011 | 45.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 284 | VAL | 0 | 0.002 | 0.009 | 39.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 285 | VAL | 0 | -0.002 | -0.002 | 41.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 286 | ALA | 0 | 0.026 | 0.000 | 36.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 287 | CYS | 0 | 0.002 | 0.016 | 32.082 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 288 | PRO | 0 | 0.058 | 0.026 | 34.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 289 | ARG | 1 | 0.926 | 0.950 | 29.178 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 290 | VAL | 0 | -0.017 | -0.005 | 34.919 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 291 | PRO | 0 | -0.008 | -0.002 | 37.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 292 | LEU | 0 | -0.069 | -0.036 | 37.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 293 | ASP | -1 | -0.877 | -0.943 | 33.470 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 294 | ASP | -1 | -0.803 | -0.903 | 36.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 295 | TYR | 0 | -0.037 | -0.020 | 33.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 296 | GLY | 0 | -0.030 | -0.008 | 39.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 297 | ALA | 0 | -0.047 | -0.017 | 40.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 298 | TRP | 0 | -0.055 | -0.027 | 40.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 299 | ARG | 1 | 0.935 | 0.975 | 44.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 300 | LYS | 1 | 0.885 | 0.962 | 47.805 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 301 | PRO | 0 | 0.004 | 0.005 | 47.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 302 | VAL | 0 | 0.014 | 0.020 | 43.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 303 | LEU | 0 | -0.015 | -0.019 | 45.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 304 | THR | 0 | 0.010 | 0.008 | 41.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 305 | PRO | 0 | 0.035 | -0.010 | 42.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 306 | LYS | 1 | 0.877 | 0.945 | 42.319 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 307 | GLU | -1 | -0.688 | -0.818 | 44.447 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 308 | VAL | 0 | -0.011 | 0.009 | 47.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 309 | GLU | -1 | -0.856 | -0.931 | 48.362 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 310 | ILE | 0 | 0.013 | 0.017 | 48.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 311 | LEU | 0 | -0.001 | 0.027 | 52.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 312 | LEU | 0 | -0.128 | -0.069 | 53.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 313 | GLY | 0 | 0.036 | 0.021 | 55.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 314 | LEU | 0 | -0.071 | -0.050 | 53.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 315 | ARG | 1 | 0.816 | 0.905 | 47.040 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 316 | GLU | -1 | -0.891 | -0.938 | 52.424 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 317 | GLU | -1 | -0.890 | -0.942 | 48.916 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 318 | TYR | 0 | -0.080 | -0.069 | 41.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 319 | GLU | -1 | -0.844 | -0.925 | 43.493 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 320 | PHE | 0 | 0.008 | -0.002 | 35.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 321 | ASP | -1 | -0.843 | -0.913 | 39.848 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 322 | GLU | -1 | -0.843 | -0.931 | 35.117 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 323 | ILE | 0 | -0.048 | -0.026 | 33.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 324 | LEU | 0 | -0.001 | -0.002 | 33.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 325 | GLY | 0 | -0.013 | -0.008 | 33.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 326 | GLY | 0 | -0.008 | 0.000 | 34.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 327 | PRO | 0 | 0.039 | -0.002 | 33.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 328 | ARG | 1 | 0.785 | 0.881 | 25.722 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 329 | GLU | -1 | -0.931 | -0.964 | 30.034 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 330 | SER | 0 | 0.004 | 0.002 | 24.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 331 | ASP | -1 | -0.844 | -0.917 | 22.200 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 332 | GLU | -1 | -0.799 | -0.895 | 19.091 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 333 | PRO | 0 | 0.023 | 0.013 | 15.190 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 334 | PHE | 0 | 0.002 | -0.014 | 13.286 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 335 | GLY | 0 | 0.077 | 0.026 | 11.210 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 336 | ILE | 0 | -0.022 | 0.003 | 10.965 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 337 | SER | 0 | -0.018 | 0.001 | 13.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 338 | ILE | 0 | 0.045 | 0.018 | 17.132 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 339 | HIS | 1 | 0.775 | 0.887 | 19.684 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 340 | SER | 0 | 0.080 | 0.026 | 23.351 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 341 | THR | 0 | -0.107 | -0.035 | 26.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 342 | ARG | 0 | 0.094 | 0.053 | 29.514 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |