![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 7GQ8K
Calculation Name: 3LZC-A-Xray372
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: 2023-06-19
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 | OptAll |
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 | 342 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5325092.639429 |
---|---|
FMO2-HF: Nuclear repulsion | 5192059.363711 |
FMO2-HF: Total energy | -133033.275717 |
FMO2-MP2: Total energy | -133427.198079 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021179/ligand_interaction/ligand_F021179.png)
Ligand Interaction
![ligand interaction](./Kdata/F021179/ligand_interaction/ligand_interaction_F021179.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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-10.262 | -11.162 | 10.502 | -5.04 | -4.562 | -0.048 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | HIS | 0 | -0.072 | -0.060 | 3.136 | -0.876 | 1.834 | -0.011 | -1.314 | -1.386 | -0.001 |
4 | A | 4 | GLU | -1 | -0.760 | -0.867 | 1.840 | -8.962 | -12.800 | 10.517 | -3.702 | -2.977 | -0.047 |
5 | A | 5 | ILE | 0 | 0.027 | 0.016 | 5.278 | -0.379 | -0.424 | -0.001 | -0.004 | 0.050 | 0.000 |
6 | A | 6 | PRO | 0 | 0.028 | 0.021 | 4.320 | 0.038 | 0.183 | -0.001 | -0.018 | -0.125 | 0.000 |
7 | A | 7 | LYS | 1 | 0.837 | 0.892 | 5.923 | 1.414 | 1.414 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | SER | 0 | 0.056 | 0.017 | 8.058 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLU | -1 | -0.889 | -0.939 | 4.789 | -1.567 | -1.487 | -0.001 | -0.001 | -0.078 | 0.000 |
10 | A | 10 | ILE | 0 | -0.017 | -0.013 | 8.904 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | 0.019 | 0.023 | 11.243 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LYS | 1 | 0.812 | 0.905 | 8.609 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLU | -1 | -0.791 | -0.865 | 11.468 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LEU | 0 | 0.000 | 0.002 | 14.299 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.880 | 0.932 | 16.615 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.796 | 0.875 | 13.181 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ILE | 0 | -0.058 | -0.032 | 18.289 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | 0.011 | 0.021 | 20.660 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ALA | 0 | -0.074 | -0.034 | 20.135 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LYS | 1 | 0.888 | 0.934 | 21.713 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ARG | 1 | 0.784 | 0.858 | 23.979 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | VAL | 0 | -0.012 | -0.007 | 18.782 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | 0.004 | 0.014 | 22.001 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | 0.030 | 0.010 | 16.611 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLN | 0 | -0.004 | -0.006 | 19.397 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | SER | 0 | 0.059 | 0.019 | 17.411 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PRO | 0 | 0.000 | 0.016 | 17.104 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.835 | -0.920 | 19.300 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLY | 0 | -0.031 | -0.013 | 17.648 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.010 | 0.001 | 12.474 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ARG | 1 | 0.794 | 0.884 | 16.159 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.983 | 1.001 | 17.264 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.835 | -0.931 | 12.706 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ALA | 0 | -0.005 | -0.015 | 14.166 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLU | -1 | -0.875 | -0.932 | 16.524 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.843 | -0.896 | 12.772 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.081 | -0.038 | 11.735 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.024 | 0.000 | 14.466 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLY | 0 | 0.060 | 0.033 | 18.133 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PHE | 0 | 0.030 | 0.016 | 12.489 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.042 | -0.025 | 14.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLU | -1 | -0.822 | -0.906 | 17.406 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLU | -1 | -0.939 | -0.969 | 17.761 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ASN | 0 | -0.084 | -0.043 | 15.961 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.061 | -0.032 | 19.122 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ILE | 0 | -0.079 | -0.045 | 17.756 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.783 | -0.848 | 21.292 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.018 | -0.020 | 19.270 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PHE | 0 | -0.013 | 0.005 | 22.444 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | 0.040 | 0.010 | 19.978 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | HIS | 0 | -0.014 | -0.024 | 22.860 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.062 | 0.029 | 24.448 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | GLU | -1 | -0.937 | -0.963 | 26.740 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ILE | 0 | 0.005 | 0.018 | 23.369 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ASN | 0 | -0.034 | -0.019 | 21.148 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | TYR | 0 | -0.001 | -0.039 | 21.687 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | -0.029 | -0.025 | 20.906 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.059 | 0.040 | 18.858 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | CYS | 0 | -0.040 | -0.019 | 20.947 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ASP | -1 | -0.884 | -0.942 | 23.901 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | 0.011 | 0.031 | 22.314 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ALA | 0 | 0.039 | 0.027 | 23.767 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASP | -1 | -0.714 | -0.851 | 24.002 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ARG | 1 | 0.814 | 0.881 | 25.635 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLU | -1 | -0.796 | -0.900 | 27.980 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ALA | 0 | 0.047 | 0.019 | 24.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LYS | 1 | 0.840 | 0.910 | 26.897 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | -0.050 | -0.025 | 29.432 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | -0.008 | 0.011 | 28.112 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLY | 0 | 0.003 | 0.003 | 29.906 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | CYS | 0 | -0.066 | -0.009 | 24.283 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.785 | -0.881 | 23.461 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | -0.055 | -0.038 | 20.026 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LEU | 0 | -0.043 | -0.021 | 20.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | 0.022 | 0.017 | 14.450 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | HIS | 0 | -0.034 | -0.019 | 16.282 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | 0.032 | 0.015 | 12.720 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.025 | 0.006 | 13.604 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | HIS | 1 | 0.775 | 0.887 | 14.845 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | SER | 0 | 0.042 | 0.015 | 13.479 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | TYR | 0 | -0.013 | -0.016 | 14.702 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.033 | 0.003 | 17.393 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.832 | 0.892 | 20.790 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.024 | 0.002 | 23.343 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | 0.018 | 0.028 | 24.257 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LEU | 0 | -0.026 | -0.009 | 21.115 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLU | -1 | -0.782 | -0.867 | 25.570 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | VAL | 0 | -0.004 | 0.010 | 23.314 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | PRO | 0 | 0.009 | 0.002 | 20.320 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | THR | 0 | -0.013 | 0.001 | 18.149 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.018 | 0.013 | 12.676 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | -0.056 | -0.032 | 13.924 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | VAL | 0 | 0.037 | 0.013 | 9.314 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PRO | 0 | -0.036 | -0.015 | 9.433 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ALA | 0 | 0.017 | 0.013 | 9.766 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | 0.008 | -0.001 | 7.453 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | 0.008 | 0.016 | 9.264 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.855 | 0.899 | 4.650 | -0.533 | -0.485 | -0.001 | -0.001 | -0.046 | 0.000 |
99 | A | 99 | VAL | 0 | -0.034 | 0.002 | 10.501 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | SER | 0 | -0.017 | -0.025 | 13.793 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | VAL | 0 | 0.012 | -0.016 | 15.282 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | 0.022 | 0.003 | 16.732 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLU | -1 | -0.787 | -0.866 | 18.329 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ALA | 0 | 0.019 | 0.019 | 20.957 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.036 | -0.013 | 21.057 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.865 | 0.922 | 20.619 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLU | -1 | -0.823 | -0.885 | 25.492 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | -0.050 | -0.038 | 26.322 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ILE | 0 | 0.021 | 0.022 | 26.892 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLY | 0 | 0.015 | 0.004 | 29.459 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.772 | -0.867 | 31.357 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.005 | -0.005 | 26.238 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LYS | 1 | 0.860 | 0.925 | 30.569 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | LYS | 1 | 0.795 | 0.895 | 33.306 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | -0.034 | -0.019 | 29.686 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLY | 0 | -0.018 | 0.005 | 33.759 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ARG | 1 | 0.889 | 0.942 | 32.405 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LYS | 1 | 0.815 | 0.908 | 29.960 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ILE | 0 | 0.023 | 0.026 | 26.754 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ILE | 0 | -0.053 | -0.020 | 26.198 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | VAL | 0 | 0.026 | 0.024 | 21.623 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | THR | 0 | -0.036 | -0.026 | 21.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | THR | 0 | 0.024 | -0.001 | 17.241 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | THR | 0 | -0.012 | -0.014 | 18.553 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.024 | -0.006 | 14.441 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLN | 0 | 0.037 | 0.039 | 13.202 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | HIS | 0 | 0.053 | 0.019 | 13.227 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | -0.027 | 0.004 | 12.156 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | HIS | 0 | 0.003 | 0.003 | 9.003 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLN | 0 | 0.100 | 0.034 | 10.909 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LEU | 0 | -0.053 | -0.012 | 13.443 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LYS | 1 | 0.799 | 0.915 | 11.532 | -1.129 | -1.129 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.753 | -0.875 | 12.026 | 1.188 | 1.188 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.027 | -0.010 | 16.240 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LYS | 1 | 0.784 | 0.870 | 18.842 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLU | -1 | -0.926 | -0.960 | 18.513 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PHE | 0 | 0.071 | 0.036 | 20.083 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.007 | 0.003 | 21.960 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLU | -1 | -0.802 | -0.900 | 23.476 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | SER | 0 | -0.051 | -0.026 | 23.905 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLU | -1 | -0.870 | -0.928 | 25.863 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLY | 0 | -0.025 | -0.010 | 28.232 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | -0.073 | -0.039 | 27.465 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLU | -1 | -0.785 | -0.863 | 28.017 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | VAL | 0 | -0.039 | -0.018 | 22.733 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | SER | 0 | -0.042 | -0.034 | 24.855 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | 0.032 | 0.006 | 19.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLY | 0 | 0.010 | 0.021 | 23.758 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ARG | 1 | 0.843 | 0.874 | 20.285 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | GLY | 0 | 0.035 | 0.023 | 21.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.776 | -0.882 | 24.541 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | SER | 0 | -0.062 | -0.051 | 23.202 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ARG | 1 | 0.842 | 0.904 | 22.969 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | -0.088 | -0.027 | 19.948 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | 0.022 | 0.010 | 15.791 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TRP | 0 | -0.009 | -0.011 | 10.959 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | 0.027 | 0.001 | 16.736 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.046 | 0.024 | 18.214 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | 0.020 | 0.017 | 16.961 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.034 | -0.012 | 19.515 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | 0.000 | -0.009 | 19.925 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.014 | 0.007 | 23.482 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | CYS | 0 | -0.013 | -0.005 | 26.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASN | 0 | -0.080 | -0.044 | 25.424 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | TYR | 0 | 0.096 | 0.041 | 25.586 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | SER | 0 | 0.020 | 0.003 | 25.818 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | VAL | 0 | -0.035 | -0.008 | 21.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.034 | 0.019 | 25.158 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 0.750 | 0.881 | 27.939 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | VAL | 0 | 0.018 | 0.004 | 27.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.965 | 0.972 | 30.854 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLY | 0 | 0.027 | 0.006 | 31.333 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLU | -1 | -0.840 | -0.927 | 32.351 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.034 | 0.014 | 32.618 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ILE | 0 | -0.084 | -0.031 | 27.293 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.093 | 0.055 | 24.128 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | -0.035 | -0.027 | 23.033 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | 0.055 | 0.027 | 19.221 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.000 | -0.009 | 20.431 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | 0.003 | -0.009 | 21.216 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLY | 0 | -0.023 | -0.009 | 23.180 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.028 | 0.007 | 26.430 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | PHE | 0 | -0.004 | -0.004 | 28.152 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | HIS | 0 | 0.041 | 0.016 | 23.594 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PRO | 0 | 0.045 | 0.032 | 26.375 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | LEU | 0 | 0.023 | 0.019 | 28.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.012 | 0.003 | 30.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.009 | -0.007 | 25.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.026 | 0.036 | 30.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | VAL | 0 | -0.024 | -0.020 | 33.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | -0.039 | -0.019 | 31.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.092 | -0.072 | 31.162 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ARG | 1 | 0.803 | 0.876 | 34.376 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | LYS | 1 | 0.853 | 0.955 | 32.281 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LYS | 1 | 0.879 | 0.927 | 35.190 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | -0.023 | -0.015 | 29.706 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.009 | 0.022 | 29.243 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.018 | -0.013 | 27.178 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | 0.038 | 0.005 | 24.133 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASP | -1 | -0.753 | -0.835 | 22.304 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PRO | 0 | -0.033 | -0.022 | 18.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | -0.046 | -0.028 | 15.753 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | THR | 0 | -0.030 | -0.052 | 20.551 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LYS | 1 | 0.841 | 0.912 | 23.676 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.022 | 0.039 | 25.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PHE | 0 | 0.009 | -0.003 | 27.102 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | SER | 0 | -0.030 | -0.021 | 29.590 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | -0.010 | -0.007 | 31.708 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ILE | 0 | -0.068 | -0.030 | 30.786 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.746 | -0.852 | 34.575 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | PRO | 0 | 0.018 | -0.005 | 36.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLU | -1 | -0.789 | -0.866 | 38.227 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ARG | 1 | 0.860 | 0.897 | 38.580 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PHE | 0 | -0.063 | -0.029 | 36.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ILE | 0 | 0.066 | 0.018 | 39.912 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ARG | 1 | 0.897 | 0.939 | 42.011 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.898 | 0.949 | 39.956 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ARG | 1 | 0.778 | 0.872 | 39.282 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | TRP | 0 | 0.054 | 0.024 | 43.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ALA | 0 | -0.004 | 0.000 | 46.637 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLN | 0 | -0.032 | -0.024 | 42.615 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ILE | 0 | 0.016 | -0.003 | 44.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.011 | 0.006 | 47.672 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.916 | 0.960 | 47.726 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ALA | 0 | 0.008 | 0.010 | 48.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.001 | -0.003 | 50.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASP | -1 | -0.862 | -0.929 | 53.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | -0.053 | -0.005 | 52.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LYS | 1 | 0.804 | 0.860 | 54.298 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.823 | 0.906 | 53.477 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PHE | 0 | 0.029 | 0.011 | 47.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLY | 0 | 0.005 | 0.005 | 46.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | VAL | 0 | -0.043 | -0.027 | 42.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | 0.008 | 0.001 | 38.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | VAL | 0 | -0.005 | 0.000 | 37.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | SER | 0 | -0.010 | -0.025 | 32.671 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | 0.017 | -0.011 | 33.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.790 | 0.902 | 28.676 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.824 | 0.878 | 26.870 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.020 | 0.020 | 26.906 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLN | 0 | -0.016 | -0.030 | 27.896 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | 0.039 | 0.043 | 31.104 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.816 | 0.876 | 33.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | 0.010 | -0.005 | 36.061 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ALA | 0 | 0.005 | -0.009 | 39.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLU | -1 | -0.769 | -0.857 | 38.853 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | 0.023 | 0.017 | 40.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LYS | 1 | 0.947 | 0.965 | 42.199 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.729 | 0.837 | 42.029 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | 0.049 | 0.017 | 42.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | VAL | 0 | -0.010 | -0.012 | 45.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.937 | 0.965 | 48.119 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | LEU | 0 | 0.002 | 0.008 | 47.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LEU | 0 | 0.046 | 0.009 | 47.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.891 | 0.975 | 51.314 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.851 | 0.937 | 53.652 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | HIS | 0 | 0.012 | 0.011 | 53.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLY | 0 | 0.035 | 0.019 | 55.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.831 | 0.929 | 52.647 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLU | -1 | -0.820 | -0.889 | 54.072 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | 0.013 | 0.002 | 49.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.917 | 0.956 | 48.219 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | 0.004 | 0.009 | 42.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.007 | 0.003 | 42.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | VAL | 0 | 0.012 | 0.002 | 38.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | -0.001 | 0.026 | 37.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | 0.100 | 0.067 | 31.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASP | -1 | -0.803 | -0.905 | 31.911 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | VAL | 0 | 0.013 | 0.002 | 33.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ASN | 0 | 0.003 | -0.010 | 35.737 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | TYR | 0 | 0.048 | 0.005 | 37.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | HIS | 0 | 0.017 | 0.002 | 40.439 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.832 | 0.904 | 35.550 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | -0.045 | -0.032 | 41.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLU | -1 | -0.787 | -0.864 | 44.843 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | 0.024 | 0.011 | 47.237 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | PHE | 0 | -0.044 | -0.006 | 45.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | PRO | 0 | -0.005 | -0.010 | 50.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.055 | -0.034 | 48.375 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | GLU | -1 | -0.674 | -0.826 | 50.670 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ALA | 0 | 0.020 | 0.012 | 47.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | TYR | 0 | -0.029 | -0.026 | 43.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | VAL | 0 | 0.004 | 0.005 | 41.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | VAL | 0 | 0.004 | 0.006 | 36.113 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.025 | -0.018 | 37.647 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | 0.043 | 0.008 | 33.703 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | CYS | 0 | -0.021 | 0.004 | 28.963 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | PRO | 0 | 0.027 | 0.023 | 30.625 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ARG | 1 | 0.880 | 0.911 | 26.103 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | VAL | 0 | -0.002 | 0.002 | 31.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | PRO | 0 | 0.004 | -0.004 | 34.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.077 | -0.030 | 34.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | ASP | -1 | -0.830 | -0.912 | 30.487 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASP | -1 | -0.790 | -0.867 | 33.984 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | TYR | 0 | -0.023 | -0.010 | 30.528 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLY | 0 | -0.019 | -0.006 | 37.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | -0.030 | -0.014 | 38.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | -0.057 | -0.047 | 37.632 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ARG | 1 | 0.875 | 0.940 | 42.216 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | LYS | 1 | 0.861 | 0.955 | 45.492 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PRO | 0 | 0.010 | 0.010 | 45.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.008 | 0.009 | 40.325 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | LEU | 0 | -0.008 | -0.004 | 41.770 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | THR | 0 | 0.010 | -0.007 | 37.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | PRO | 0 | 0.002 | -0.021 | 38.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.852 | 0.928 | 37.133 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | GLU | -1 | -0.682 | -0.789 | 40.895 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | 0.003 | 0.007 | 43.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.781 | -0.869 | 43.271 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | ILE | 0 | -0.009 | 0.011 | 43.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | -0.039 | -0.010 | 47.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.077 | -0.040 | 49.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | GLY | 0 | 0.017 | 0.011 | 51.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | LEU | 0 | -0.058 | -0.035 | 48.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ARG | 1 | 0.728 | 0.834 | 41.332 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | GLU | -1 | -0.880 | -0.928 | 48.249 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | GLU | -1 | -0.839 | -0.890 | 44.423 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TYR | 0 | -0.053 | -0.060 | 38.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | GLU | -1 | -0.759 | -0.853 | 38.221 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | PHE | 0 | 0.045 | 0.015 | 31.456 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ASP | -1 | -0.787 | -0.880 | 35.542 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.813 | -0.901 | 30.220 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ILE | 0 | -0.062 | -0.025 | 29.427 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | LEU | 0 | 0.023 | 0.008 | 28.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLY | 0 | 0.005 | -0.002 | 28.009 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLY | 0 | 0.009 | 0.021 | 28.912 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.044 | 0.012 | 27.352 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ARG | 1 | 0.802 | 0.883 | 19.514 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.781 | -0.865 | 23.334 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | SER | 0 | 0.019 | 0.015 | 18.417 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ASP | -1 | -0.822 | -0.889 | 16.102 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLU | -1 | -0.756 | -0.850 | 13.014 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PRO | 0 | 0.029 | 0.024 | 8.660 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PHE | 0 | -0.001 | -0.015 | 7.618 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLY | 0 | 0.061 | 0.021 | 5.621 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ILE | 0 | -0.020 | 0.001 | 6.229 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.048 | -0.043 | 8.672 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ILE | 0 | 0.037 | 0.018 | 11.906 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | HIS | 1 | 0.806 | 0.900 | 15.264 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | SER | 0 | 0.071 | 0.031 | 18.804 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | THR | 0 | -0.037 | -0.024 | 22.439 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ARG | 1 | 0.881 | 0.931 | 26.075 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |