![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 72MQK
Calculation Name: 4F6C-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4F6C
Chain ID: A
UniProt ID: A0A0H3
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 371 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6409917.902246 |
---|---|
FMO2-HF: Nuclear repulsion | 6259028.981311 |
FMO2-HF: Total energy | -150888.920934 |
FMO2-MP2: Total energy | -151322.836044 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026239/ligand_interaction/ligand_F026239.png)
Ligand Interaction
![ligand interaction](./Kdata/F026239/ligand_interaction/ligand_interaction_F026239.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:2013:VAL)
Summations of interaction energy for
fragment #1(A:2013:VAL)
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. |
-7.052 | -1.47 | 9.926 | -4.757 | -10.75 | -0.01 |
Interaction energy analysis for fragmet #1(A:2013:VAL)
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 | 2015 | LEU | 0 | -0.020 | -0.017 | 2.673 | -2.718 | 1.402 | 0.461 | -1.878 | -2.703 | 0.002 |
4 | A | 2016 | PRO | 0 | 0.021 | 0.012 | 5.008 | -0.003 | 0.050 | -0.001 | -0.006 | -0.045 | 0.000 |
5 | A | 2017 | ASP | -1 | -0.868 | -0.933 | 8.664 | -0.800 | -0.800 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 2018 | ASN | 0 | -0.043 | -0.018 | 11.677 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 2019 | LEU | 0 | 0.023 | 0.020 | 6.597 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 2020 | SER | 0 | 0.054 | 0.011 | 10.445 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 2021 | GLU | -1 | -0.932 | -0.976 | 13.365 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 2022 | LEU | 0 | 0.024 | 0.002 | 10.392 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 2023 | GLN | 0 | 0.015 | 0.007 | 9.741 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 2024 | LYS | 1 | 0.885 | 0.966 | 13.884 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 2025 | ILE | 0 | -0.022 | 0.006 | 16.295 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 2026 | VAL | 0 | 0.035 | 0.019 | 14.087 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 2027 | MET | 0 | 0.018 | 0.017 | 17.123 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 2028 | SER | 0 | -0.032 | -0.045 | 18.685 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 2029 | ARG | 1 | 0.887 | 0.910 | 20.720 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 2030 | TYR | 0 | -0.009 | 0.007 | 19.626 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 2031 | ASN | 0 | -0.032 | -0.033 | 21.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 2032 | LEU | 0 | -0.051 | -0.003 | 24.669 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 2033 | GLY | 0 | -0.020 | 0.010 | 26.064 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 2034 | ILE | 0 | -0.012 | -0.010 | 27.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 2035 | LEU | 0 | 0.000 | -0.001 | 29.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 2036 | GLU | -1 | -0.878 | -0.941 | 32.577 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 2037 | ASP | -1 | -0.902 | -0.956 | 35.119 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 2038 | SER | 0 | -0.029 | 0.002 | 30.308 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 2039 | LEU | 0 | -0.025 | -0.031 | 31.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 2040 | SER | 0 | -0.018 | -0.009 | 33.329 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 2041 | HIS | 0 | -0.001 | -0.008 | 33.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 2042 | ARG | 1 | 0.841 | 0.900 | 29.210 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 2043 | PRO | 0 | -0.039 | -0.026 | 32.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 2044 | LEU | 0 | 0.033 | 0.022 | 29.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 2045 | GLY | 0 | 0.037 | 0.027 | 32.053 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 2046 | ASN | 0 | -0.017 | -0.004 | 33.594 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 2047 | THR | 0 | 0.012 | -0.003 | 28.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 2048 | LEU | 0 | 0.015 | 0.027 | 25.613 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 2049 | LEU | 0 | -0.014 | -0.008 | 24.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 2050 | THR | 0 | 0.029 | 0.019 | 21.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 2051 | GLY | 0 | -0.005 | -0.014 | 22.740 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 2052 | ALA | 0 | 0.061 | 0.026 | 23.528 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 2053 | THR | 0 | -0.058 | -0.022 | 26.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 2054 | GLY | 0 | 0.018 | 0.011 | 24.622 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 2055 | PHE | 0 | 0.003 | -0.003 | 24.740 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 2056 | LEU | 0 | 0.058 | 0.009 | 21.652 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 2057 | GLY | 0 | 0.014 | 0.013 | 25.023 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 2058 | ALA | 0 | 0.014 | 0.019 | 26.323 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 2059 | TYR | 0 | 0.076 | 0.009 | 28.512 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 2060 | LEU | 0 | -0.023 | 0.000 | 23.935 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 2061 | ILE | 0 | -0.005 | -0.005 | 28.561 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 2062 | GLU | -1 | -0.947 | -0.977 | 31.369 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 2063 | ALA | 0 | 0.013 | 0.001 | 30.318 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 2064 | LEU | 0 | -0.013 | -0.005 | 28.977 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 2065 | GLN | 0 | -0.015 | -0.009 | 32.905 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 2066 | GLY | 0 | -0.004 | 0.010 | 36.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 2067 | TYR | 0 | -0.062 | -0.025 | 34.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 2068 | SER | 0 | -0.049 | -0.035 | 32.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 2069 | HIS | 0 | -0.057 | -0.007 | 34.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 2070 | ARG | 1 | 0.867 | 0.929 | 35.573 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 2071 | ILE | 0 | 0.001 | -0.001 | 30.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 2072 | TYR | 0 | 0.046 | 0.016 | 30.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 2073 | CYS | 0 | -0.038 | -0.028 | 29.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 2074 | PHE | 0 | 0.029 | 0.034 | 24.008 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 2075 | ILE | 0 | -0.053 | -0.037 | 26.381 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 2076 | ARG | 1 | 0.854 | 0.940 | 20.973 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 2077 | ALA | 0 | -0.040 | -0.037 | 27.106 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 2078 | ASP | -1 | -0.899 | -0.944 | 30.287 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 2079 | ASN | 0 | -0.013 | -0.010 | 32.849 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 2080 | GLU | -1 | -0.831 | -0.928 | 34.685 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 2081 | GLU | -1 | -0.932 | -0.942 | 36.225 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 2082 | ILE | 0 | -0.039 | -0.035 | 32.620 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 2083 | ALA | 0 | -0.001 | -0.002 | 32.071 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 2084 | TRP | 0 | 0.077 | 0.030 | 33.205 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 2085 | TYR | 0 | -0.003 | 0.012 | 35.391 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 2086 | LYS | 1 | 0.890 | 0.943 | 29.593 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 2087 | LEU | 0 | 0.026 | 0.013 | 30.937 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 2088 | MET | 0 | 0.033 | 0.011 | 32.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 2089 | THR | 0 | -0.020 | -0.010 | 34.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 2090 | ASN | 0 | -0.091 | -0.058 | 28.775 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 2091 | LEU | 0 | 0.016 | 0.000 | 32.647 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 2092 | ASN | 0 | 0.049 | 0.016 | 34.567 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 2093 | ASP | -1 | -0.841 | -0.896 | 34.043 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 2094 | TYR | 0 | -0.137 | -0.056 | 29.182 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 2095 | PHE | 0 | 0.030 | 0.016 | 32.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 2096 | SER | 0 | -0.023 | 0.003 | 37.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 2097 | GLU | -1 | -0.858 | -0.948 | 41.363 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 2098 | GLU | -1 | -0.939 | -0.959 | 43.273 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 2099 | THR | 0 | -0.015 | -0.025 | 39.013 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 2100 | VAL | 0 | 0.006 | -0.009 | 37.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 2101 | GLU | -1 | -0.946 | -0.965 | 39.773 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 2102 | MET | 0 | -0.028 | -0.018 | 41.563 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 2103 | MET | 0 | -0.032 | 0.000 | 34.508 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 2104 | LEU | 0 | -0.006 | -0.005 | 38.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 2105 | SER | 0 | -0.076 | -0.023 | 39.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 2106 | ASN | 0 | -0.038 | -0.026 | 37.564 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 2107 | ILE | 0 | -0.076 | -0.042 | 33.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 2108 | GLU | -1 | -0.846 | -0.912 | 34.782 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 2109 | VAL | 0 | -0.025 | -0.004 | 31.829 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 2110 | ILE | 0 | 0.006 | -0.002 | 29.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 2111 | VAL | 0 | -0.002 | -0.001 | 29.966 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 2112 | GLY | 0 | 0.030 | 0.023 | 27.393 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 2113 | ASP | -1 | -0.876 | -0.959 | 27.411 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 2114 | PHE | 0 | -0.058 | -0.039 | 23.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 2115 | GLU | -1 | -0.867 | -0.929 | 21.924 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 2116 | CYS | 0 | -0.022 | 0.003 | 24.653 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 2117 | MET | 0 | -0.044 | -0.022 | 19.322 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 2118 | ASP | -1 | -0.850 | -0.952 | 22.675 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 2119 | ASP | -1 | -0.967 | -0.936 | 24.405 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 2120 | VAL | 0 | -0.043 | -0.023 | 26.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 2121 | VAL | 0 | -0.028 | -0.018 | 29.101 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 2122 | LEU | 0 | -0.021 | -0.029 | 28.076 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 2123 | PRO | 0 | -0.024 | -0.011 | 32.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 2124 | GLU | -1 | -0.922 | -0.946 | 34.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 2125 | ASN | 0 | 0.012 | -0.006 | 32.527 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 2126 | MET | 0 | -0.076 | -0.040 | 29.215 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 2127 | ASP | -1 | -0.816 | -0.906 | 30.438 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 2128 | THR | 0 | -0.024 | -0.010 | 26.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 2129 | ILE | 0 | -0.004 | 0.020 | 22.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 2130 | ILE | 0 | 0.017 | 0.009 | 22.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 2131 | HIS | 0 | -0.020 | -0.032 | 16.719 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 2132 | ALA | 0 | 0.044 | 0.021 | 18.741 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 2133 | GLY | 0 | -0.045 | -0.024 | 19.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 2134 | ALA | 0 | 0.028 | 0.020 | 15.490 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 2135 | ARG | 1 | 0.883 | 0.939 | 17.388 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 2136 | THR | 0 | -0.005 | -0.007 | 17.520 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 2144 | GLU | -1 | -0.850 | -0.923 | 10.197 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 2145 | PHE | 0 | 0.007 | -0.008 | 12.960 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 2146 | GLU | -1 | -0.810 | -0.888 | 6.509 | 1.312 | 1.312 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 2147 | LYS | 1 | 0.894 | 0.934 | 10.359 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 2148 | VAL | 0 | 0.036 | 0.016 | 12.186 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 2149 | ASN | 0 | 0.028 | 0.015 | 12.489 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 2150 | VAL | 0 | -0.022 | 0.007 | 8.684 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 2151 | GLN | 0 | -0.035 | -0.029 | 11.995 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 2152 | GLY | 0 | 0.016 | 0.020 | 15.269 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 2153 | THR | 0 | -0.002 | -0.057 | 12.902 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 2154 | VAL | 0 | -0.046 | -0.026 | 13.990 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 2155 | ASP | -1 | -0.780 | -0.883 | 16.598 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 2156 | VAL | 0 | 0.009 | 0.003 | 18.823 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 2157 | ILE | 0 | -0.050 | -0.017 | 15.396 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 2158 | ARG | 1 | 0.863 | 0.930 | 19.746 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 2159 | LEU | 0 | 0.015 | 0.009 | 22.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 2160 | ALA | 0 | 0.021 | -0.005 | 22.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 2161 | GLN | 0 | -0.029 | -0.018 | 20.537 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 2162 | GLN | 0 | -0.079 | -0.034 | 24.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 2163 | HIS | 0 | 0.014 | 0.023 | 27.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 2164 | HIS | 0 | -0.066 | -0.013 | 27.735 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 2165 | ALA | 0 | 0.003 | 0.015 | 26.429 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 2166 | ARG | 1 | 0.748 | 0.855 | 24.799 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 2167 | LEU | 0 | -0.005 | 0.000 | 18.399 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 2168 | ILE | 0 | -0.021 | -0.017 | 20.996 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 2169 | TYR | 0 | 0.031 | 0.004 | 12.842 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 2170 | VAL | 0 | -0.003 | 0.003 | 17.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 2171 | SER | 0 | -0.029 | -0.050 | 11.776 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 2172 | THR | 0 | -0.022 | 0.009 | 11.797 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 2173 | ILE | 0 | 0.079 | 0.025 | 12.275 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 2174 | SER | 0 | -0.024 | -0.038 | 12.124 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 2175 | VAL | 0 | -0.088 | -0.036 | 7.667 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 2176 | GLY | 0 | 0.034 | 0.003 | 7.558 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 2177 | THR | 0 | -0.021 | -0.002 | 10.028 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 2178 | TYR | 0 | 0.024 | 0.020 | 10.161 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 2179 | PHE | 0 | 0.026 | 0.021 | 9.044 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 2180 | ASP | -1 | -0.795 | -0.890 | 10.189 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 2181 | ILE | 0 | -0.043 | -0.028 | 11.579 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 2182 | ASP | -1 | -0.915 | -0.941 | 13.919 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 2183 | THR | 0 | -0.113 | -0.053 | 10.520 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 2184 | GLU | -1 | -0.887 | -0.949 | 13.851 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 2185 | ASP | -1 | -0.921 | -0.973 | 14.315 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 2186 | VAL | 0 | 0.011 | 0.009 | 13.166 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 2187 | THR | 0 | -0.023 | -0.009 | 14.564 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 2188 | PHE | 0 | 0.017 | 0.001 | 9.662 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 2189 | SER | 0 | 0.027 | 0.028 | 14.791 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 2190 | GLU | -1 | -0.823 | -0.918 | 15.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 2191 | ALA | 0 | -0.020 | -0.014 | 16.662 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 2192 | ASP | -1 | -0.849 | -0.916 | 11.884 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 2193 | VAL | 0 | -0.020 | -0.031 | 8.033 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 2194 | TYR | 0 | -0.022 | -0.025 | 2.060 | -0.558 | -1.924 | 5.232 | -1.319 | -2.547 | 0.000 |
176 | A | 2195 | LYS | 1 | 0.844 | 0.919 | 7.509 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 2196 | GLY | 0 | 0.020 | -0.008 | 5.891 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 2197 | GLN | 0 | -0.049 | 0.022 | 5.817 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 2198 | LEU | 0 | -0.002 | 0.005 | 4.442 | 0.016 | 0.179 | -0.001 | -0.010 | -0.152 | 0.000 |
180 | A | 2199 | LEU | 0 | -0.043 | -0.018 | 2.931 | -1.129 | -0.312 | 0.164 | -0.168 | -0.812 | 0.000 |
181 | A | 2200 | THR | 0 | 0.039 | 0.019 | 5.110 | 0.726 | 0.830 | -0.001 | -0.002 | -0.100 | 0.000 |
182 | A | 2201 | SER | 0 | 0.024 | 0.022 | 7.576 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 2202 | PRO | 0 | 0.063 | 0.025 | 8.006 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 2203 | TYR | 0 | -0.006 | -0.008 | 9.028 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 2204 | THR | 0 | 0.069 | 0.020 | 7.613 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 2205 | ARG | 1 | 0.800 | 0.883 | 3.116 | -3.281 | -2.653 | 0.044 | -0.131 | -0.542 | 0.000 |
187 | A | 2206 | SER | 0 | 0.020 | 0.000 | 5.633 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 2207 | LYS | 1 | 0.846 | 0.943 | 8.265 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 2208 | PHE | 0 | 0.059 | 0.037 | 2.715 | -1.125 | -0.260 | 0.549 | -0.335 | -1.079 | -0.002 |
190 | A | 2209 | TYR | 0 | 0.024 | 0.009 | 2.453 | -0.915 | -0.717 | 3.479 | -0.908 | -2.770 | -0.010 |
191 | A | 2210 | SER | 0 | -0.016 | 0.027 | 6.790 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 2211 | GLU | -1 | -0.719 | -0.811 | 9.083 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 2212 | LEU | 0 | 0.014 | 0.002 | 5.231 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 2213 | LYS | 1 | 0.908 | 0.967 | 9.398 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 2214 | VAL | 0 | 0.036 | 0.025 | 12.042 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 2215 | LEU | 0 | -0.019 | -0.016 | 11.031 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 2216 | GLU | -1 | -0.830 | -0.920 | 12.947 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 2217 | ALA | 0 | -0.020 | -0.011 | 14.544 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 2218 | VAL | 0 | -0.027 | -0.011 | 17.146 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 2219 | ASN | 0 | -0.096 | -0.031 | 16.780 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 2220 | ASN | 0 | -0.060 | -0.022 | 18.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 2221 | GLY | 0 | -0.044 | -0.029 | 20.853 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 2222 | LEU | 0 | -0.044 | -0.012 | 20.033 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 2223 | ASP | -1 | -0.767 | -0.850 | 21.991 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 2224 | GLY | 0 | 0.020 | 0.006 | 19.898 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 2225 | ARG | 1 | 0.786 | 0.879 | 19.486 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 2226 | ILE | 0 | 0.015 | 0.009 | 13.151 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 2227 | VAL | 0 | 0.009 | -0.002 | 16.951 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 2228 | ARG | 1 | 0.745 | 0.851 | 10.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 2229 | VAL | 0 | 0.006 | -0.007 | 16.301 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 2230 | GLY | 0 | 0.011 | -0.003 | 17.207 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 2231 | ASN | 0 | -0.054 | -0.020 | 19.320 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 2232 | LEU | 0 | -0.031 | -0.017 | 21.042 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 2233 | THR | 0 | -0.008 | -0.001 | 23.396 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 2234 | SER | 0 | -0.057 | -0.044 | 26.900 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 2235 | PRO | 0 | 0.025 | 0.022 | 30.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 2236 | TYR | 0 | -0.046 | -0.023 | 31.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 2237 | ASN | 0 | -0.038 | -0.043 | 33.508 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 2238 | GLY | 0 | 0.063 | 0.035 | 35.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 2239 | ARG | 1 | 0.855 | 0.945 | 35.956 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 2240 | TRP | 0 | 0.022 | -0.001 | 33.591 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 2241 | HIS | 0 | -0.004 | 0.004 | 32.726 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 2242 | MET | 0 | 0.047 | 0.039 | 26.146 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 2243 | ARG | 1 | 0.852 | 0.910 | 29.034 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 2244 | ASN | 0 | -0.028 | -0.028 | 25.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 2245 | ILE | 0 | 0.083 | 0.045 | 26.201 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 2246 | LYS | 1 | 0.896 | 0.943 | 27.259 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 2247 | THR | 0 | -0.039 | -0.005 | 23.766 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 2248 | ASN | 0 | 0.050 | 0.029 | 22.521 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 2249 | ARG | 1 | 0.980 | 0.986 | 16.064 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 2250 | PHE | 0 | 0.065 | 0.046 | 22.065 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 2251 | SER | 0 | 0.024 | -0.014 | 23.550 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 2252 | MET | 0 | -0.054 | -0.013 | 22.867 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 2253 | VAL | 0 | 0.052 | 0.032 | 22.736 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 2254 | MET | 0 | -0.004 | 0.003 | 26.007 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 2255 | ASN | 0 | 0.004 | -0.004 | 28.708 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 2256 | ASP | -1 | -0.787 | -0.883 | 28.185 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 2257 | LEU | 0 | 0.003 | -0.018 | 27.243 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 2258 | LEU | 0 | -0.042 | -0.023 | 31.092 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 2259 | GLN | 0 | -0.112 | -0.058 | 33.950 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 2260 | LEU | 0 | -0.005 | 0.021 | 31.601 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 2261 | ASP | -1 | -0.850 | -0.923 | 35.467 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 2262 | CYS | 0 | -0.120 | -0.066 | 35.723 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 2263 | ILE | 0 | -0.014 | -0.001 | 28.744 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 2264 | GLY | 0 | 0.071 | 0.044 | 29.633 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 2265 | VAL | 0 | -0.021 | -0.030 | 28.277 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 2266 | SER | 0 | 0.052 | 0.036 | 24.033 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 2267 | MET | 0 | -0.038 | -0.001 | 22.680 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 2268 | ALA | 0 | -0.022 | -0.026 | 26.207 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 2269 | GLU | -1 | -0.924 | -0.973 | 25.509 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 2270 | MET | 0 | 0.009 | 0.031 | 20.589 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 2271 | PRO | 0 | -0.030 | -0.008 | 21.155 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 2272 | VAL | 0 | 0.035 | 0.007 | 22.693 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 2273 | ASP | -1 | -0.842 | -0.937 | 21.529 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 2274 | PHE | 0 | 0.034 | -0.002 | 24.393 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 2275 | SER | 0 | -0.001 | 0.003 | 22.985 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 2276 | PHE | 0 | 0.007 | 0.003 | 25.275 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 2277 | VAL | 0 | 0.009 | 0.024 | 25.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 2278 | ASP | -1 | -0.738 | -0.874 | 27.209 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 2279 | THR | 0 | -0.006 | 0.001 | 28.688 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 2280 | THR | 0 | -0.019 | -0.025 | 22.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 2281 | ALA | 0 | -0.033 | -0.010 | 25.877 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 2282 | ARG | 0 | -0.032 | -0.041 | 27.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 2283 | GLN | 0 | 0.035 | 0.007 | 26.298 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 2284 | ILE | 0 | -0.027 | -0.021 | 22.125 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 2285 | VAL | 0 | 0.009 | 0.000 | 25.395 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 2286 | ALA | 0 | 0.025 | 0.026 | 28.576 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 2287 | LEU | 0 | -0.041 | -0.026 | 22.813 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 2288 | ALA | 0 | -0.055 | -0.033 | 25.999 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 2289 | GLN | 0 | -0.006 | 0.002 | 27.137 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 2290 | VAL | 0 | 0.017 | 0.044 | 28.195 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 2291 | ASN | 0 | -0.046 | -0.025 | 28.923 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 2292 | THR | 0 | 0.002 | -0.010 | 25.259 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 2293 | PRO | 0 | 0.029 | 0.017 | 25.482 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 2294 | GLN | 0 | -0.020 | -0.003 | 21.291 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 2295 | ILE | 0 | 0.031 | 0.023 | 16.676 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 2296 | ILE | 0 | -0.007 | -0.005 | 13.295 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 2297 | TYR | 0 | 0.021 | 0.037 | 17.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 2298 | HIS | 0 | -0.036 | -0.036 | 15.707 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 2299 | VAL | 0 | -0.008 | 0.005 | 19.432 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 2300 | LEU | 0 | -0.013 | -0.016 | 18.387 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 2301 | SER | 0 | 0.026 | 0.008 | 22.263 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 2302 | PRO | 0 | -0.053 | -0.011 | 24.154 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 2303 | ASN | 0 | -0.039 | -0.023 | 25.799 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 2304 | LYS | 1 | 0.962 | 0.991 | 20.256 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 2305 | MET | 0 | -0.023 | -0.008 | 26.017 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 2306 | PRO | 0 | 0.035 | 0.021 | 26.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 2307 | VAL | 0 | 0.052 | 0.019 | 25.941 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 2308 | LYS | 1 | 0.841 | 0.922 | 28.629 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 2309 | SER | 0 | -0.015 | -0.012 | 31.342 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 2310 | LEU | 0 | 0.014 | 0.009 | 29.505 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 2311 | LEU | 0 | 0.016 | -0.013 | 31.681 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 2312 | GLU | -1 | -0.828 | -0.883 | 34.188 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 2313 | CYS | 0 | -0.007 | 0.002 | 35.776 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 2314 | VAL | 0 | -0.055 | -0.023 | 35.054 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 2315 | LYS | 1 | 0.868 | 0.954 | 36.010 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 2316 | ARG | 1 | 0.735 | 0.860 | 39.801 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 2317 | LYS | 1 | 0.879 | 0.921 | 41.023 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 2318 | GLU | -1 | -0.813 | -0.881 | 38.454 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 2319 | ILE | 0 | -0.067 | -0.007 | 34.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 2320 | GLU | -1 | -0.845 | -0.940 | 37.611 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 2321 | LEU | 0 | -0.046 | -0.020 | 31.640 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 2322 | VAL | 0 | 0.021 | 0.015 | 33.301 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 2323 | SER | 0 | 0.001 | -0.025 | 32.499 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 2324 | ASP | -1 | -0.809 | -0.915 | 25.890 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 2325 | GLU | -1 | -0.919 | -0.951 | 28.995 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 2326 | SER | 0 | -0.034 | -0.030 | 30.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 2327 | PHE | 0 | 0.055 | 0.019 | 27.451 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 2328 | ASN | 0 | 0.059 | 0.030 | 26.634 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 2329 | GLU | -1 | -0.850 | -0.900 | 29.240 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 2330 | ILE | 0 | -0.043 | -0.036 | 32.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 2331 | LEU | 0 | 0.004 | 0.000 | 26.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 2332 | GLN | 0 | -0.025 | -0.017 | 28.305 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 2333 | LYS | 1 | 0.772 | 0.878 | 30.591 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 2334 | GLN | 0 | -0.081 | -0.049 | 33.316 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 2335 | ASP | -1 | -0.850 | -0.902 | 30.977 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 2336 | MET | 0 | -0.067 | -0.007 | 28.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 2337 | TYR | 0 | -0.042 | -0.048 | 24.689 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 2338 | GLU | -1 | -0.915 | -0.962 | 23.344 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 2339 | THR | 0 | -0.038 | -0.054 | 22.796 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 2340 | ILE | 0 | 0.013 | 0.038 | 23.296 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 2341 | GLY | 0 | 0.018 | 0.009 | 20.102 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 2342 | LEU | 0 | -0.060 | -0.054 | 18.161 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 2343 | THR | 0 | 0.026 | 0.001 | 19.566 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 2344 | SER | 0 | -0.037 | -0.024 | 18.883 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 2345 | VAL | 0 | -0.111 | -0.048 | 14.154 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 2346 | ASP | -1 | -0.872 | -0.937 | 15.890 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 2347 | ARG | 1 | 0.779 | 0.893 | 18.535 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 2348 | GLU | -1 | -0.842 | -0.913 | 15.582 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 2349 | GLN | 0 | -0.095 | -0.062 | 11.162 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 2350 | GLN | 0 | 0.013 | 0.001 | 13.426 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 2351 | LEU | 0 | -0.044 | -0.033 | 13.870 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 2352 | ALA | 0 | -0.010 | 0.009 | 13.125 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 2353 | MET | 0 | -0.052 | -0.012 | 15.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 2354 | ILE | 0 | -0.052 | -0.040 | 14.961 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 2355 | ASP | -1 | -0.873 | -0.938 | 18.102 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 2356 | THR | 0 | 0.029 | -0.009 | 19.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 2357 | THR | 0 | -0.013 | -0.005 | 22.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 2358 | LEU | 0 | -0.014 | 0.000 | 22.242 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 2359 | THR | 0 | 0.031 | -0.009 | 21.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 2360 | LEU | 0 | -0.022 | 0.005 | 24.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 2361 | LYS | 1 | 0.930 | 0.981 | 26.969 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 2362 | ILE | 0 | 0.021 | -0.002 | 25.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 2363 | MET | 0 | -0.009 | 0.017 | 25.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 2364 | ASN | 0 | -0.022 | -0.026 | 29.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 2365 | HIS | 0 | -0.065 | -0.037 | 31.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 2366 | ILE | 0 | 0.008 | 0.022 | 29.759 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 2367 | SER | 0 | -0.043 | -0.016 | 33.596 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 2368 | GLU | -1 | -0.782 | -0.863 | 30.758 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 2369 | LYS | 1 | 0.812 | 0.889 | 31.655 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 2370 | TRP | 0 | 0.023 | 0.015 | 24.821 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 2371 | PRO | 0 | 0.003 | 0.027 | 30.840 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 2372 | THR | 0 | -0.023 | -0.024 | 32.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 2373 | ILE | 0 | 0.043 | 0.025 | 31.455 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 2374 | THR | 0 | 0.006 | -0.002 | 34.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 2375 | ASN | 0 | 0.008 | -0.022 | 37.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 2376 | ASN | 0 | 0.010 | 0.000 | 39.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 2377 | TRP | 0 | -0.010 | 0.002 | 30.812 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 2378 | LEU | 0 | 0.072 | 0.021 | 32.072 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 2379 | TYR | 0 | -0.007 | 0.013 | 35.704 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 2380 | HIS | 0 | -0.035 | -0.032 | 38.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 2381 | TRP | 0 | 0.021 | 0.033 | 29.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 2382 | ALA | 0 | 0.041 | 0.010 | 34.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 2383 | GLN | 0 | -0.006 | -0.007 | 35.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 2384 | TYR | 0 | 0.018 | 0.032 | 31.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 2385 | ILE | 0 | -0.003 | 0.009 | 30.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 2386 | LYS | 1 | 0.916 | 0.961 | 33.888 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 2387 | THR | 0 | -0.047 | -0.052 | 36.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 2388 | ILE | 0 | -0.082 | -0.020 | 32.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 2389 | PHE | 0 | -0.034 | -0.026 | 28.639 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 2390 | ASN | 0 | -0.029 | 0.005 | 34.724 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |