![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2J6ZR
Calculation Name: 2PGE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2PGE
Chain ID: A
UniProt ID: Q6ARP5
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 | 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 | 359 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5753981.872492 |
---|---|
FMO2-HF: Nuclear repulsion | 5615266.648737 |
FMO2-HF: Total energy | -138715.223755 |
FMO2-MP2: Total energy | -139122.543826 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030973/ligand_interaction/ligand_F030973.png)
Ligand Interaction
![ligand interaction](./Kdata/F030973/ligand_interaction/ligand_interaction_F030973.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:3:SER)
Summations of interaction energy for
fragment #1(A:3:SER)
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. |
-17.943 | -11.953 | 3.966 | -5 | -4.955 | -0.045 |
Interaction energy analysis for fragmet #1(A:3:SER)
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 | 5 | MET | 0 | -0.081 | -0.041 | 3.797 | -0.939 | 0.468 | -0.011 | -0.802 | -0.593 | 0.001 |
4 | A | 6 | GLU | -1 | -0.825 | -0.878 | 7.218 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | LEU | 0 | 0.001 | 0.001 | 9.805 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | SER | 0 | -0.029 | -0.008 | 12.759 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | TYR | 0 | -0.028 | -0.033 | 15.912 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ARG | 1 | 0.929 | 0.958 | 19.255 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.744 | 0.849 | 22.797 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | SER | 0 | -0.061 | -0.050 | 25.734 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ASP | -1 | -0.745 | -0.837 | 28.687 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | LEU | 0 | 0.018 | 0.036 | 31.733 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ILE | 0 | -0.012 | -0.014 | 34.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | PHE | 0 | 0.022 | 0.008 | 37.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | LYS | 1 | 0.848 | 0.937 | 40.655 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | ARG | 1 | 0.906 | 0.958 | 43.560 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | VAL | 0 | 0.014 | 0.002 | 44.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | LEU | 0 | 0.007 | 0.008 | 39.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | THR | 0 | 0.004 | -0.011 | 39.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | SER | 0 | -0.017 | -0.019 | 34.510 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | LYS | 1 | 0.803 | 0.919 | 31.412 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | PRO | 0 | -0.007 | -0.005 | 30.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | THR | 0 | -0.041 | -0.034 | 28.390 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | TRP | 0 | 0.043 | 0.014 | 22.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | PHE | 0 | -0.022 | 0.004 | 23.824 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | VAL | 0 | -0.001 | -0.015 | 18.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | ARG | 1 | 0.814 | 0.890 | 16.392 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | LEU | 0 | -0.001 | 0.017 | 13.192 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | ASP | -1 | -0.796 | -0.905 | 12.238 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | ILE | 0 | 0.011 | -0.016 | 8.681 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | ASP | -1 | -0.791 | -0.863 | 8.202 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | GLY | 0 | -0.034 | -0.011 | 10.376 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | HIS | 0 | -0.018 | 0.002 | 13.237 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | GLY | 0 | 0.043 | -0.005 | 13.951 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | GLY | 0 | -0.008 | 0.012 | 16.209 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | GLN | 0 | -0.039 | -0.025 | 18.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | GLY | 0 | 0.046 | 0.016 | 21.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | GLU | -1 | -0.758 | -0.860 | 23.376 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | VAL | 0 | 0.001 | 0.002 | 22.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | SER | 0 | -0.017 | 0.006 | 25.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | LEU | 0 | 0.019 | 0.013 | 27.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | ILE | 0 | 0.031 | 0.006 | 31.225 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | PRO | 0 | 0.001 | 0.002 | 34.372 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | GLY | 0 | -0.003 | -0.008 | 35.700 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | LEU | 0 | -0.051 | -0.020 | 36.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | SER | 0 | 0.013 | 0.003 | 31.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | LEU | 0 | 0.006 | 0.005 | 30.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | ASP | -1 | -0.797 | -0.905 | 26.556 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | PRO | 0 | 0.008 | 0.012 | 27.109 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | GLU | -1 | -0.785 | -0.883 | 27.339 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | GLU | -1 | -0.892 | -0.951 | 27.282 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | GLN | 0 | -0.083 | -0.052 | 24.288 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | ILE | 0 | 0.019 | 0.022 | 22.834 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | GLY | 0 | -0.015 | -0.003 | 21.382 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | ARG | 1 | 0.923 | 0.959 | 19.730 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | GLU | -1 | -0.832 | -0.925 | 18.267 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | LEU | 0 | 0.003 | 0.009 | 16.964 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | ASP | -1 | -0.808 | -0.889 | 15.260 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | LEU | 0 | -0.083 | -0.047 | 13.795 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | LEU | 0 | 0.015 | 0.024 | 12.142 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | ALA | 0 | 0.023 | 0.004 | 11.044 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | ARG | 1 | 0.777 | 0.875 | 9.143 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | ARG | 1 | 0.860 | 0.947 | 8.222 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | LEU | 0 | 0.009 | 0.000 | 6.514 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | ARG | 1 | 0.855 | 0.916 | 5.134 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | ALA | 0 | -0.050 | -0.026 | 3.055 | -1.250 | 0.363 | 0.149 | -0.896 | -0.865 | -0.008 |
67 | A | 76 | GLU | -1 | -0.867 | -0.936 | 2.003 | -14.683 | -13.201 | 3.761 | -2.777 | -2.467 | -0.039 |
68 | A | 77 | GLU | -1 | -0.814 | -0.908 | 3.553 | 0.228 | 1.376 | 0.063 | -0.420 | -0.791 | 0.001 |
69 | A | 78 | PRO | 0 | -0.005 | 0.023 | 4.200 | -0.763 | -0.501 | 0.005 | -0.089 | -0.178 | 0.000 |
70 | A | 79 | ILE | 0 | 0.019 | 0.001 | 7.595 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | ARG | 1 | 0.915 | 0.950 | 9.710 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | LEU | 0 | 0.000 | 0.005 | 11.311 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | ARG | 1 | 0.774 | 0.835 | 4.727 | 1.012 | 1.090 | -0.001 | -0.016 | -0.061 | 0.000 |
74 | A | 83 | GLN | 0 | -0.091 | -0.047 | 12.305 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | PHE | 0 | 0.015 | 0.004 | 15.145 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | LEU | 0 | -0.005 | -0.013 | 13.763 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | ALA | 0 | -0.027 | 0.001 | 16.791 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | GLU | -1 | -0.913 | -0.958 | 18.430 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | ARG | 1 | 0.792 | 0.862 | 20.542 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | GLY | 0 | 0.029 | 0.025 | 21.208 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | GLY | 0 | -0.028 | -0.012 | 22.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | ALA | 0 | 0.011 | 0.011 | 25.511 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | ASP | -1 | -0.941 | -0.971 | 27.294 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | PHE | 0 | -0.080 | -0.042 | 29.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | SER | 0 | -0.013 | -0.012 | 26.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | ASP | -1 | -0.899 | -0.930 | 28.797 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | TYR | 0 | 0.103 | 0.033 | 26.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | ARG | 1 | 0.860 | 0.930 | 27.729 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | SER | 0 | 0.004 | 0.013 | 25.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | VAL | 0 | 0.008 | 0.010 | 23.033 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | LEU | 0 | -0.005 | -0.012 | 22.902 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | THR | 0 | -0.026 | -0.018 | 23.647 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | ASP | -1 | -0.830 | -0.890 | 19.992 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | ILE | 0 | -0.008 | 0.004 | 18.995 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | ALA | 0 | -0.017 | -0.006 | 18.950 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | GLY | 0 | 0.063 | 0.027 | 19.550 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | ILE | 0 | -0.039 | -0.013 | 13.688 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | LEU | 0 | 0.035 | 0.017 | 14.993 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | ASP | -1 | -0.825 | -0.894 | 16.929 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | SER | 0 | -0.087 | -0.048 | 13.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | TRP | 0 | -0.023 | -0.026 | 9.998 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | GLN | 0 | -0.036 | -0.014 | 13.558 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | VAL | 0 | 0.037 | 0.024 | 15.819 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | SER | 0 | -0.003 | 0.006 | 18.314 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | THR | 0 | -0.013 | -0.004 | 19.242 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | ASP | -1 | -0.849 | -0.905 | 22.033 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | GLY | 0 | -0.015 | -0.010 | 24.999 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | ARG | 1 | 0.841 | 0.901 | 25.679 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | PHE | 0 | -0.018 | -0.016 | 23.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | PRO | 0 | 0.022 | 0.011 | 24.617 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | ALA | 0 | 0.068 | 0.028 | 26.149 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | LEU | 0 | -0.018 | -0.015 | 19.590 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | ARG | 1 | 0.805 | 0.881 | 20.713 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | PHE | 0 | 0.028 | 0.016 | 22.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | ALA | 0 | -0.013 | -0.006 | 22.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | LEU | 0 | 0.016 | -0.007 | 16.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | GLU | -1 | -0.754 | -0.863 | 19.403 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | MET | 0 | -0.052 | -0.004 | 21.799 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | ALA | 0 | 0.004 | 0.002 | 18.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | LEU | 0 | 0.001 | -0.009 | 15.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | LEU | 0 | -0.026 | -0.009 | 19.033 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | ASP | -1 | -0.767 | -0.886 | 21.846 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LEU | 0 | -0.032 | 0.004 | 14.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | LEU | 0 | -0.048 | -0.012 | 18.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | SER | 0 | -0.041 | -0.020 | 20.379 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | GLY | 0 | 0.047 | 0.019 | 20.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | GLY | 0 | -0.036 | -0.011 | 20.554 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | ARG | 1 | 0.692 | 0.806 | 21.300 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | GLN | 0 | -0.046 | -0.026 | 24.753 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | GLU | -1 | -0.812 | -0.873 | 25.957 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | TRP | 0 | -0.026 | 0.006 | 24.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | PHE | 0 | -0.004 | -0.022 | 26.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | ALA | 0 | 0.045 | 0.034 | 29.120 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | SER | 0 | -0.005 | -0.019 | 30.942 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | ASP | -1 | -0.783 | -0.892 | 34.754 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | PHE | 0 | -0.039 | -0.010 | 35.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | THR | 0 | 0.004 | 0.001 | 31.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | ARG | 1 | 0.801 | 0.874 | 34.562 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | GLY | 0 | -0.004 | 0.002 | 36.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | GLU | -1 | -0.873 | -0.901 | 39.415 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | LYS | 1 | 0.807 | 0.888 | 41.019 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ARG | 1 | 0.802 | 0.869 | 41.298 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | ILE | 0 | -0.014 | 0.001 | 38.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | PRO | 0 | 0.019 | 0.029 | 43.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | VAL | 0 | -0.034 | -0.022 | 42.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | ASN | 0 | -0.032 | -0.018 | 45.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | GLY | 0 | 0.032 | 0.012 | 46.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | LEU | 0 | -0.066 | -0.043 | 44.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ILE | 0 | 0.008 | 0.007 | 49.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | TRP | 0 | -0.030 | -0.028 | 46.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | MET | 0 | 0.027 | 0.013 | 53.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | GLY | 0 | -0.012 | -0.018 | 56.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | GLU | -1 | -0.867 | -0.944 | 59.091 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | ALA | 0 | 0.035 | 0.021 | 61.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | ALA | 0 | 0.030 | 0.014 | 63.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | PHE | 0 | 0.017 | 0.006 | 56.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | MET | 0 | -0.052 | -0.005 | 58.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | GLN | 0 | -0.069 | -0.033 | 59.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | GLU | -1 | -0.912 | -0.951 | 59.532 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | GLN | 0 | -0.035 | -0.025 | 54.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | ILE | 0 | -0.015 | 0.000 | 56.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | GLU | -1 | -0.858 | -0.924 | 57.975 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | ALA | 0 | -0.006 | 0.004 | 55.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | LYS | 1 | 0.810 | 0.880 | 50.107 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | LEU | 0 | -0.020 | -0.010 | 54.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | ALA | 0 | -0.028 | -0.006 | 57.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | GLU | -1 | -0.852 | -0.911 | 51.140 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | GLY | 0 | -0.018 | -0.004 | 52.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | TYR | 0 | -0.052 | -0.033 | 47.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | GLY | 0 | 0.022 | 0.023 | 52.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | CYS | 0 | -0.075 | -0.030 | 50.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | LEU | 0 | -0.005 | 0.019 | 51.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | LYS | 1 | 0.796 | 0.878 | 44.530 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | LEU | 0 | 0.010 | 0.004 | 50.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | LYS | 1 | 0.853 | 0.916 | 47.195 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | ILE | 0 | -0.012 | -0.008 | 51.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | GLY | 0 | 0.018 | 0.000 | 52.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | ALA | 0 | -0.007 | -0.012 | 54.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | ILE | 0 | -0.029 | -0.002 | 56.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | ASP | -1 | -0.868 | -0.964 | 58.135 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | PHE | 0 | 0.013 | 0.018 | 58.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | ASP | -1 | -0.844 | -0.911 | 60.933 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | LYS | 1 | 0.803 | 0.900 | 62.557 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | GLU | -1 | -0.734 | -0.874 | 56.659 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | CYS | 0 | -0.064 | -0.036 | 60.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | ALA | 0 | -0.016 | -0.004 | 63.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | LEU | 0 | 0.021 | 0.004 | 60.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | LEU | 0 | -0.025 | -0.017 | 57.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | ALA | 0 | -0.020 | -0.010 | 62.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | GLY | 0 | 0.060 | 0.040 | 65.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | ILE | 0 | -0.015 | -0.006 | 59.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | ARG | 1 | 0.721 | 0.835 | 58.801 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | GLU | -1 | -0.996 | -0.989 | 64.701 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | SER | 0 | -0.044 | -0.013 | 64.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | PHE | 0 | 0.004 | 0.001 | 61.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | SER | 0 | 0.021 | 0.018 | 63.005 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | PRO | 0 | 0.021 | -0.012 | 60.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | GLN | 0 | -0.076 | -0.033 | 59.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | GLN | 0 | -0.011 | -0.003 | 59.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | LEU | 0 | 0.027 | 0.022 | 55.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | GLU | -1 | -0.745 | -0.861 | 51.507 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | ILE | 0 | 0.021 | 0.000 | 54.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ARG | 1 | 0.796 | 0.893 | 46.501 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | VAL | 0 | 0.022 | 0.005 | 52.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | ASP | -1 | -0.783 | -0.889 | 46.371 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | ALA | 0 | 0.023 | 0.020 | 49.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | ASN | 0 | -0.035 | -0.010 | 44.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | GLY | 0 | 0.010 | 0.009 | 46.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | ALA | 0 | -0.059 | -0.028 | 48.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | PHE | 0 | -0.018 | -0.013 | 51.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | SER | 0 | 0.001 | -0.011 | 52.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | PRO | 0 | 0.078 | 0.014 | 53.048 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | ALA | 0 | -0.004 | 0.011 | 55.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | ASN | 0 | 0.024 | 0.009 | 57.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | ALA | 0 | 0.044 | 0.029 | 55.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | PRO | 0 | 0.040 | 0.018 | 57.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | GLN | 0 | -0.043 | -0.021 | 59.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | ARG | 1 | 0.836 | 0.926 | 56.904 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | LEU | 0 | 0.048 | 0.023 | 54.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | LYS | 1 | 0.906 | 0.963 | 58.632 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | ARG | 1 | 0.897 | 0.958 | 62.187 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | LEU | 0 | 0.043 | 0.008 | 56.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | SER | 0 | -0.052 | -0.023 | 60.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | GLN | 0 | 0.008 | 0.005 | 60.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | PHE | 0 | 0.019 | 0.013 | 60.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | HIS | 0 | -0.022 | -0.001 | 60.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | LEU | 0 | 0.015 | 0.019 | 55.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | HIS | 0 | 0.011 | 0.015 | 49.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | SER | 0 | 0.017 | -0.008 | 50.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | ILE | 0 | -0.052 | -0.022 | 51.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | GLU | -1 | -0.791 | -0.876 | 43.876 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | GLN | 0 | 0.007 | -0.015 | 44.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | PRO | 0 | 0.015 | 0.006 | 47.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ILE | 0 | -0.043 | -0.018 | 49.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | ARG | 1 | 0.983 | 0.983 | 46.151 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | GLN | 0 | 0.066 | 0.055 | 40.483 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | HIS | 0 | -0.033 | -0.030 | 39.239 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | GLN | 0 | -0.080 | -0.032 | 44.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | TRP | 0 | 0.049 | 0.014 | 40.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | SER | 0 | 0.024 | 0.014 | 47.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | GLU | -1 | -0.891 | -0.954 | 50.971 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | MET | 0 | 0.021 | 0.017 | 47.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | ALA | 0 | 0.056 | 0.042 | 50.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | ALA | 0 | -0.020 | 0.000 | 51.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | LEU | 0 | -0.043 | -0.029 | 52.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | CYS | 0 | -0.039 | -0.014 | 50.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | ALA | 0 | 0.008 | 0.019 | 53.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | ASN | 0 | -0.090 | -0.056 | 56.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | SER | 0 | -0.032 | -0.035 | 55.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | PRO | 0 | -0.054 | -0.020 | 57.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | LEU | 0 | -0.007 | 0.005 | 55.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | ALA | 0 | 0.009 | 0.022 | 52.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | ILE | 0 | 0.026 | 0.001 | 48.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ALA | 0 | -0.008 | -0.004 | 46.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | LEU | 0 | -0.017 | -0.010 | 43.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | ASP | -1 | -0.773 | -0.904 | 40.569 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | GLU | -1 | -0.787 | -0.909 | 39.534 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | GLU | -1 | -0.831 | -0.922 | 39.809 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | LEU | 0 | -0.022 | -0.012 | 36.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | ILE | 0 | -0.031 | -0.010 | 34.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | GLY | 0 | 0.005 | -0.001 | 32.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | LEU | 0 | -0.070 | -0.010 | 33.189 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | GLY | 0 | 0.056 | 0.018 | 31.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | ALA | 0 | -0.013 | -0.022 | 30.970 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | GLU | -1 | -0.832 | -0.914 | 32.609 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | GLN | 0 | 0.002 | 0.006 | 35.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | ARG | 1 | 0.839 | 0.922 | 31.483 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | SER | 0 | 0.028 | 0.008 | 37.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | ALA | 0 | -0.007 | -0.003 | 39.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | MET | 0 | 0.002 | 0.020 | 40.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | LEU | 0 | 0.016 | -0.006 | 40.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | ASP | -1 | -0.855 | -0.908 | 43.416 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 282 | ALA | 0 | -0.061 | -0.017 | 45.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 283 | ILE | 0 | -0.062 | -0.048 | 45.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 284 | ARG | 1 | 0.875 | 0.951 | 47.489 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 285 | PRO | 0 | 0.024 | 0.017 | 45.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 286 | GLN | 0 | -0.020 | -0.010 | 48.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 287 | TYR | 0 | -0.045 | -0.038 | 46.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 288 | ILE | 0 | -0.002 | 0.009 | 39.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 289 | ILE | 0 | -0.008 | -0.002 | 40.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 290 | LEU | 0 | -0.020 | -0.003 | 35.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 291 | LYS | 1 | 0.853 | 0.922 | 35.641 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 292 | PRO | 0 | 0.019 | -0.010 | 30.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 293 | SER | 0 | -0.041 | -0.027 | 29.228 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 294 | LEU | 0 | -0.005 | -0.011 | 29.711 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 295 | LEU | 0 | -0.026 | -0.009 | 31.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | GLY | 0 | -0.023 | -0.001 | 27.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | GLY | 0 | 0.015 | 0.002 | 26.113 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | PHE | 0 | -0.012 | -0.031 | 26.933 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | HIS | 0 | 0.014 | 0.013 | 25.423 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | TYR | 0 | -0.041 | -0.018 | 24.824 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | ALA | 0 | 0.024 | 0.012 | 30.123 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | GLY | 0 | 0.031 | 0.018 | 31.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | GLN | 0 | 0.004 | 0.001 | 28.465 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | TRP | 0 | 0.039 | 0.018 | 33.581 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | ILE | 0 | 0.002 | 0.015 | 36.146 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | GLU | -1 | -0.752 | -0.855 | 35.309 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | LEU | 0 | -0.010 | 0.002 | 35.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | ALA | 0 | 0.028 | 0.020 | 39.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | ARG | 1 | 0.847 | 0.898 | 38.969 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | GLU | -1 | -0.913 | -0.950 | 39.190 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | ARG | 1 | 0.719 | 0.822 | 40.955 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | GLY | 0 | -0.040 | -0.006 | 46.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | ILE | 0 | -0.061 | -0.016 | 44.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | GLY | 0 | 0.024 | 0.012 | 45.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | PHE | 0 | -0.008 | -0.029 | 40.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | TRP | 0 | -0.003 | -0.004 | 42.096 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | ILE | 0 | 0.028 | 0.020 | 36.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 318 | THR | 0 | -0.057 | -0.040 | 38.215 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 319 | SER | 0 | -0.032 | -0.001 | 36.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 320 | ALA | 0 | 0.003 | -0.017 | 34.512 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 321 | LEU | 0 | 0.010 | 0.010 | 34.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 322 | GLU | -1 | -0.763 | -0.845 | 31.241 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 323 | SER | 0 | -0.017 | -0.037 | 30.151 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 324 | ASN | 0 | -0.023 | -0.054 | 32.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 325 | LEU | 0 | -0.013 | 0.019 | 25.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 326 | GLY | 0 | 0.064 | 0.016 | 29.250 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 327 | LEU | 0 | -0.012 | -0.001 | 30.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 328 | ALA | 0 | 0.005 | 0.007 | 31.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 329 | ALA | 0 | 0.019 | 0.022 | 28.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 330 | ILE | 0 | 0.008 | -0.006 | 30.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 331 | ALA | 0 | -0.015 | 0.013 | 33.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 332 | GLN | 0 | -0.005 | -0.029 | 30.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 333 | TRP | 0 | 0.020 | 0.008 | 31.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 334 | THR | 0 | -0.026 | -0.040 | 33.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 335 | ALA | 0 | -0.014 | -0.006 | 36.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 336 | LEU | 0 | -0.029 | -0.006 | 31.697 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 337 | TYR | 0 | -0.103 | -0.063 | 34.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 338 | GLN | 0 | -0.043 | -0.004 | 38.820 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 339 | PRO | 0 | -0.003 | 0.018 | 40.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 340 | THR | 0 | 0.027 | -0.003 | 43.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 341 | MET | 0 | -0.025 | 0.013 | 46.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 342 | PRO | 0 | 0.015 | 0.001 | 46.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 343 | GLN | 0 | 0.025 | 0.010 | 41.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 344 | GLY | 0 | 0.060 | 0.026 | 42.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 345 | LEU | 0 | -0.046 | -0.032 | 37.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 346 | GLY | 0 | 0.087 | 0.029 | 39.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 347 | THR | 0 | -0.032 | -0.023 | 39.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 348 | GLY | 0 | 0.041 | 0.029 | 40.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 349 | GLN | 0 | -0.030 | -0.016 | 40.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 350 | LEU | 0 | 0.029 | 0.000 | 39.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 351 | TYR | 0 | -0.029 | -0.022 | 35.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 352 | THR | 0 | -0.057 | -0.047 | 39.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 353 | ASN | 0 | -0.015 | -0.012 | 33.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 354 | ASN | 0 | 0.069 | 0.040 | 34.023 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | LEU | 0 | 0.021 | 0.025 | 28.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 356 | PRO | 0 | -0.013 | -0.011 | 32.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 357 | SER | 0 | -0.011 | -0.004 | 32.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 358 | ASN | 0 | 0.044 | 0.022 | 34.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 359 | LEU | 0 | 0.010 | 0.034 | 34.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 360 | ALA | 0 | 0.010 | 0.010 | 38.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 361 | VAL | 0 | 0.010 | -0.011 | 42.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 362 | ASP | -1 | -0.827 | -0.863 | 44.982 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 363 | GLY | 0 | 0.058 | 0.024 | 48.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 364 | GLY | 0 | 0.001 | 0.018 | 49.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 365 | LEU | 0 | -0.044 | -0.030 | 46.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 366 | LEU | 0 | 0.008 | 0.007 | 38.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 367 | GLY | 0 | 0.009 | -0.012 | 40.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 368 | VAL | 0 | -0.049 | -0.023 | 35.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |