![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2JL9R
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 371 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6410371.933861 |
---|---|
FMO2-HF: Nuclear repulsion | 6259481.435874 |
FMO2-HF: Total energy | -150890.497987 |
FMO2-MP2: Total energy | -151324.352011 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026238/ligand_interaction/ligand_F026238.png)
Ligand Interaction
![ligand interaction](./Kdata/F026238/ligand_interaction/ligand_interaction_F026238.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. |
-8.667 | 0.057000000000003 | 5.214 | -4.13 | -9.808 | -0.014 |
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 | -0.017 | -0.014 | 2.757 | -2.638 | 1.634 | 0.385 | -1.854 | -2.802 | 0.002 |
4 | A | 2016 | PRO | 0 | 0.023 | 0.008 | 5.122 | -0.006 | 0.041 | -0.001 | -0.005 | -0.042 | 0.000 |
5 | A | 2017 | ASP | -1 | -0.879 | -0.935 | 8.762 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 2018 | ASN | 0 | -0.065 | -0.045 | 11.515 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 2019 | LEU | 0 | 0.021 | 0.023 | 6.699 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 2020 | SER | 0 | 0.057 | 0.013 | 10.432 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 2021 | GLU | -1 | -0.915 | -0.953 | 13.199 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 2022 | LEU | 0 | 0.042 | 0.019 | 10.501 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 2023 | GLN | 0 | 0.011 | 0.005 | 10.072 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 2024 | LYS | 1 | 0.883 | 0.961 | 13.910 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 2025 | ILE | 0 | -0.028 | -0.005 | 16.465 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 2026 | VAL | 0 | 0.031 | 0.018 | 14.179 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 2027 | MET | 0 | 0.020 | 0.018 | 17.214 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 2028 | SER | 0 | -0.042 | -0.040 | 18.742 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 2029 | ARG | 1 | 0.906 | 0.936 | 20.777 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 2030 | TYR | 0 | -0.011 | 0.002 | 19.784 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 2031 | ASN | 0 | -0.041 | -0.035 | 21.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 2032 | LEU | 0 | -0.045 | -0.007 | 24.780 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 2033 | GLY | 0 | -0.015 | 0.011 | 26.217 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 2034 | ILE | 0 | -0.014 | -0.015 | 27.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 2035 | LEU | 0 | -0.006 | -0.001 | 29.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 2036 | GLU | -1 | -0.876 | -0.944 | 32.717 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 2037 | ASP | -1 | -0.916 | -0.961 | 35.248 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 2038 | SER | 0 | -0.027 | 0.004 | 30.344 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 2039 | LEU | 0 | -0.022 | -0.028 | 31.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 2040 | SER | 0 | -0.024 | -0.010 | 33.421 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 2041 | HIS | 0 | -0.001 | -0.013 | 33.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 2042 | ARG | 1 | 0.836 | 0.902 | 29.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 2043 | PRO | 0 | -0.039 | -0.029 | 32.709 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 2044 | LEU | 0 | 0.014 | 0.018 | 29.638 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 2045 | GLY | 0 | 0.031 | 0.035 | 32.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 2046 | ASN | 0 | -0.022 | -0.008 | 33.722 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 2047 | THR | 0 | 0.041 | 0.000 | 28.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 2048 | LEU | 0 | 0.007 | 0.015 | 25.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 2049 | LEU | 0 | -0.020 | -0.013 | 24.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 2050 | THR | 0 | 0.037 | 0.013 | 21.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 2051 | GLY | 0 | -0.014 | -0.017 | 22.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 2052 | ALA | 0 | 0.052 | 0.026 | 23.637 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 2053 | THR | 0 | -0.012 | -0.005 | 26.240 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 2054 | GLY | 0 | -0.020 | -0.007 | 24.709 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 2055 | PHE | 0 | 0.013 | 0.003 | 24.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 2056 | LEU | 0 | 0.057 | 0.009 | 21.623 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 2057 | GLY | 0 | 0.018 | 0.013 | 25.112 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 2058 | ALA | 0 | 0.008 | 0.017 | 26.461 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 2059 | TYR | 0 | 0.068 | 0.010 | 28.450 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 2060 | LEU | 0 | -0.027 | -0.001 | 23.861 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 2061 | ILE | 0 | 0.013 | 0.004 | 28.561 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 2062 | GLU | -1 | -0.927 | -0.963 | 31.493 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 2063 | ALA | 0 | -0.009 | -0.010 | 30.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 2064 | LEU | 0 | -0.015 | -0.005 | 28.858 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 2065 | GLN | 0 | -0.017 | -0.015 | 32.863 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 2066 | GLY | 0 | -0.005 | 0.009 | 36.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 2067 | TYR | 0 | -0.050 | -0.020 | 34.188 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 2068 | SER | 0 | -0.040 | -0.020 | 32.518 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 2069 | HIS | 0 | -0.087 | -0.029 | 34.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 2070 | ARG | 1 | 0.869 | 0.918 | 35.782 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 2071 | ILE | 0 | -0.002 | -0.003 | 30.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 2072 | TYR | 0 | 0.042 | 0.015 | 31.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 2073 | CYS | 0 | -0.044 | -0.026 | 29.164 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 2074 | PHE | 0 | 0.027 | 0.025 | 23.560 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 2075 | ILE | 0 | -0.048 | -0.035 | 26.476 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 2076 | ARG | 1 | 0.813 | 0.910 | 21.149 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 2077 | ALA | 0 | -0.033 | -0.033 | 27.138 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 2078 | ASP | -1 | -0.901 | -0.945 | 30.299 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 2079 | ASN | 0 | -0.015 | -0.017 | 32.839 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 2080 | GLU | -1 | -0.802 | -0.916 | 34.713 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 2081 | GLU | -1 | -0.928 | -0.936 | 36.270 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 2082 | ILE | 0 | -0.038 | -0.032 | 32.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 2083 | ALA | 0 | -0.019 | -0.005 | 32.188 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 2084 | TRP | 0 | 0.046 | 0.007 | 33.266 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 2085 | TYR | 0 | 0.011 | 0.018 | 35.404 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 2086 | LYS | 1 | 0.893 | 0.954 | 29.572 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 2087 | LEU | 0 | 0.019 | 0.007 | 30.858 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 2088 | MET | 0 | 0.034 | 0.011 | 32.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 2089 | THR | 0 | -0.019 | -0.016 | 34.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 2090 | ASN | 0 | -0.095 | -0.060 | 28.925 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 2091 | LEU | 0 | 0.019 | 0.007 | 32.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 2092 | ASN | 0 | 0.052 | 0.017 | 34.670 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 2093 | ASP | -1 | -0.798 | -0.865 | 34.125 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 2094 | TYR | 0 | -0.103 | -0.043 | 29.302 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 2095 | PHE | 0 | 0.018 | 0.012 | 32.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 2096 | SER | 0 | -0.049 | -0.038 | 38.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 2097 | GLU | -1 | -0.868 | -0.952 | 41.487 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 2098 | GLU | -1 | -0.925 | -0.949 | 43.384 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 2099 | THR | 0 | 0.001 | 0.002 | 39.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 2100 | VAL | 0 | 0.020 | -0.002 | 37.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 2101 | GLU | -1 | -0.945 | -0.968 | 39.902 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 2102 | MET | 0 | -0.020 | -0.011 | 41.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 2103 | MET | 0 | -0.039 | -0.002 | 35.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 2104 | LEU | 0 | 0.002 | 0.003 | 37.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 2105 | SER | 0 | -0.076 | -0.026 | 39.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 2106 | ASN | 0 | -0.045 | -0.028 | 37.910 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 2107 | ILE | 0 | -0.063 | -0.037 | 33.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 2108 | GLU | -1 | -0.822 | -0.887 | 34.873 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 2109 | VAL | 0 | -0.024 | -0.002 | 31.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 2110 | ILE | 0 | 0.005 | -0.005 | 30.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 2111 | VAL | 0 | -0.004 | 0.001 | 30.047 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 2112 | GLY | 0 | 0.046 | 0.027 | 27.440 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 2113 | ASP | -1 | -0.874 | -0.938 | 27.432 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 2114 | PHE | 0 | -0.040 | -0.039 | 22.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 2115 | GLU | -1 | -0.852 | -0.925 | 21.827 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 2116 | CYS | 0 | -0.058 | -0.021 | 24.547 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 2117 | MET | 0 | -0.025 | -0.014 | 19.287 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 2118 | ASP | -1 | -0.847 | -0.940 | 22.642 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 2119 | ASP | -1 | -0.960 | -0.938 | 24.455 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 2120 | VAL | 0 | -0.045 | -0.018 | 26.876 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 2121 | VAL | 0 | -0.028 | -0.018 | 29.195 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 2122 | LEU | 0 | -0.011 | -0.019 | 28.376 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 2123 | PRO | 0 | -0.032 | -0.014 | 32.665 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 2124 | GLU | -1 | -0.919 | -0.948 | 34.707 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 2125 | ASN | 0 | -0.037 | -0.024 | 32.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 2126 | MET | 0 | -0.038 | -0.025 | 29.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 2127 | ASP | -1 | -0.819 | -0.892 | 30.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 2128 | THR | 0 | -0.039 | -0.040 | 26.932 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 2129 | ILE | 0 | 0.000 | 0.020 | 23.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 2130 | ILE | 0 | 0.013 | 0.011 | 22.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 2131 | HIS | 0 | 0.000 | -0.018 | 17.353 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 2132 | ALA | 0 | 0.037 | 0.018 | 18.920 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 2133 | GLY | 0 | -0.029 | -0.016 | 19.542 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 2134 | ALA | 0 | -0.005 | 0.010 | 15.777 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 2135 | ARG | 1 | 0.912 | 0.945 | 17.461 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 2136 | THR | 0 | 0.005 | -0.001 | 17.512 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 2144 | GLU | -1 | -0.846 | -0.923 | 10.156 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 2145 | PHE | 0 | 0.006 | -0.005 | 12.954 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 2146 | GLU | -1 | -0.799 | -0.886 | 6.587 | 1.593 | 1.593 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 2147 | LYS | 1 | 0.894 | 0.936 | 10.292 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 2148 | VAL | 0 | 0.024 | 0.013 | 12.120 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 2149 | ASN | 0 | 0.014 | 0.008 | 12.636 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 2150 | VAL | 0 | -0.006 | 0.010 | 8.686 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 2151 | GLN | 0 | -0.033 | -0.028 | 12.060 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 2152 | GLY | 0 | 0.037 | 0.030 | 15.311 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 2153 | THR | 0 | 0.010 | 0.002 | 13.558 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 2154 | VAL | 0 | -0.037 | -0.018 | 14.082 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 2155 | ASP | -1 | -0.796 | -0.881 | 16.720 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 2156 | VAL | 0 | 0.010 | 0.003 | 18.961 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 2157 | ILE | 0 | -0.036 | -0.011 | 15.428 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 2158 | ARG | 1 | 0.863 | 0.930 | 19.739 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 2159 | LEU | 0 | 0.004 | 0.002 | 22.175 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 2160 | ALA | 0 | 0.032 | 0.006 | 22.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 2161 | GLN | 0 | -0.032 | -0.021 | 20.371 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 2162 | GLN | 0 | -0.068 | -0.033 | 24.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 2163 | HIS | 0 | 0.009 | 0.020 | 27.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 2164 | HIS | 0 | -0.062 | -0.012 | 27.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 2165 | ALA | 0 | 0.011 | 0.022 | 26.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 2166 | ARG | 1 | 0.743 | 0.853 | 24.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 2167 | LEU | 0 | -0.010 | -0.003 | 18.722 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 2168 | ILE | 0 | -0.019 | -0.015 | 21.013 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 2169 | TYR | 0 | 0.010 | 0.002 | 12.824 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 2170 | VAL | 0 | 0.000 | 0.007 | 17.453 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 2171 | SER | 0 | -0.008 | -0.044 | 11.757 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 2172 | THR | 0 | -0.005 | 0.012 | 11.803 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 2173 | ILE | 0 | 0.073 | 0.024 | 12.245 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 2174 | SER | 0 | -0.022 | -0.025 | 12.071 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 2175 | VAL | 0 | -0.080 | -0.035 | 7.602 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 2176 | GLY | 0 | 0.024 | 0.002 | 7.582 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 2177 | THR | 0 | -0.012 | 0.005 | 10.070 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 2178 | TYR | 0 | 0.006 | 0.011 | 10.450 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 2179 | PHE | 0 | 0.023 | 0.018 | 9.452 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 2180 | ASP | -1 | -0.808 | -0.902 | 10.324 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 2181 | ILE | 0 | -0.023 | -0.020 | 12.014 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 2182 | ASP | -1 | -0.917 | -0.945 | 14.071 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 2183 | THR | 0 | -0.102 | -0.053 | 10.808 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 2184 | GLU | -1 | -0.915 | -0.954 | 14.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 2185 | ASP | -1 | -0.869 | -0.937 | 14.541 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 2186 | VAL | 0 | 0.024 | 0.015 | 13.339 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 2187 | THR | 0 | -0.031 | -0.012 | 14.680 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 2188 | PHE | 0 | -0.009 | -0.010 | 9.989 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 2189 | SER | 0 | 0.004 | -0.003 | 14.760 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 2190 | GLU | -1 | -0.793 | -0.890 | 15.265 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 2191 | ALA | 0 | -0.014 | -0.010 | 16.827 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 2192 | ASP | -1 | -0.835 | -0.886 | 11.844 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 2193 | VAL | 0 | -0.002 | -0.017 | 8.208 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 2194 | TYR | 0 | -0.019 | -0.025 | 2.352 | -1.601 | -0.461 | 1.335 | -0.680 | -1.795 | -0.006 |
176 | A | 2195 | LYS | 1 | 0.811 | 0.896 | 7.184 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 2196 | GLY | 0 | 0.030 | 0.023 | 5.820 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 2197 | GLN | 0 | -0.042 | -0.004 | 5.776 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 2198 | LEU | 0 | 0.005 | 0.006 | 4.802 | -0.100 | 0.026 | -0.001 | -0.003 | -0.122 | 0.000 |
180 | A | 2199 | LEU | 0 | -0.038 | -0.018 | 2.267 | -0.818 | -0.339 | 0.894 | -0.296 | -1.078 | -0.002 |
181 | A | 2200 | THR | 0 | 0.037 | 0.020 | 5.247 | 0.962 | 0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 2201 | SER | 0 | 0.015 | 0.012 | 7.663 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 2202 | PRO | 0 | 0.059 | 0.023 | 7.947 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 2203 | TYR | 0 | -0.011 | -0.005 | 8.993 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 2204 | THR | 0 | 0.053 | 0.015 | 8.426 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 2205 | ARG | 1 | 0.833 | 0.896 | 3.176 | -3.572 | -2.997 | 0.040 | -0.120 | -0.495 | 0.000 |
187 | A | 2206 | SER | 0 | 0.001 | -0.009 | 5.677 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 2207 | LYS | 1 | 0.816 | 0.915 | 8.326 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 2208 | PHE | 0 | 0.061 | 0.034 | 2.659 | -1.131 | -0.332 | 0.560 | -0.317 | -1.041 | -0.001 |
190 | A | 2209 | TYR | 0 | 0.015 | -0.003 | 2.441 | -1.581 | -0.295 | 2.002 | -0.855 | -2.433 | -0.007 |
191 | A | 2210 | SER | 0 | -0.028 | -0.028 | 6.974 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 2211 | GLU | -1 | -0.748 | -0.834 | 9.151 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 2212 | LEU | 0 | -0.012 | -0.007 | 5.039 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 2213 | LYS | 1 | 0.909 | 0.969 | 9.424 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 2214 | VAL | 0 | 0.050 | 0.019 | 12.044 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 2215 | LEU | 0 | -0.014 | -0.006 | 11.034 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 2216 | GLU | -1 | -0.799 | -0.895 | 12.903 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 2217 | ALA | 0 | -0.014 | 0.000 | 14.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 2218 | VAL | 0 | -0.032 | -0.011 | 17.185 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 2219 | ASN | 0 | -0.132 | -0.056 | 16.614 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 2220 | ASN | 0 | -0.083 | -0.052 | 17.920 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 2221 | GLY | 0 | -0.038 | -0.019 | 20.913 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 2222 | LEU | 0 | -0.044 | -0.012 | 19.582 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 2223 | ASP | -1 | -0.771 | -0.864 | 22.028 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 2224 | GLY | 0 | 0.018 | 0.004 | 19.915 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 2225 | ARG | 1 | 0.774 | 0.874 | 19.521 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 2226 | ILE | 0 | 0.009 | 0.008 | 13.148 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 2227 | VAL | 0 | 0.008 | -0.006 | 16.990 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 2228 | ARG | 1 | 0.751 | 0.861 | 11.161 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 2229 | VAL | 0 | 0.005 | -0.007 | 16.304 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 2230 | GLY | 0 | 0.021 | 0.000 | 17.164 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 2231 | ASN | 0 | -0.064 | -0.030 | 19.247 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 2232 | LEU | 0 | -0.020 | -0.012 | 20.962 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 2233 | THR | 0 | -0.009 | -0.002 | 23.305 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 2234 | SER | 0 | -0.040 | -0.033 | 26.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 2235 | PRO | 0 | -0.001 | 0.010 | 30.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 2236 | TYR | 0 | -0.056 | -0.026 | 31.736 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 2237 | ASN | 0 | -0.054 | -0.043 | 33.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 2238 | GLY | 0 | 0.063 | 0.026 | 35.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 2239 | ARG | 1 | 0.805 | 0.910 | 35.832 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 2240 | TRP | 0 | 0.015 | -0.006 | 33.747 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 2241 | HIS | 0 | -0.059 | -0.028 | 32.679 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 2242 | MET | 0 | 0.042 | 0.034 | 26.237 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 2243 | ARG | 1 | 0.862 | 0.925 | 29.112 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 2244 | ASN | 0 | -0.033 | -0.033 | 25.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 2245 | ILE | 0 | 0.072 | 0.046 | 26.211 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 2246 | LYS | 1 | 0.863 | 0.941 | 27.267 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 2247 | THR | 0 | 0.017 | 0.013 | 23.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 2248 | ASN | 0 | 0.011 | 0.016 | 22.534 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 2249 | ARG | 1 | 0.982 | 0.989 | 16.400 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 2250 | PHE | 0 | 0.066 | 0.044 | 22.082 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 2251 | SER | 0 | 0.033 | -0.009 | 23.415 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 2252 | MET | 0 | -0.050 | -0.014 | 22.816 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 2253 | VAL | 0 | 0.058 | 0.035 | 22.785 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 2254 | MET | 0 | -0.018 | -0.002 | 25.921 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 2255 | ASN | 0 | -0.024 | -0.014 | 28.750 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 2256 | ASP | -1 | -0.787 | -0.882 | 28.034 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 2257 | LEU | 0 | -0.002 | -0.017 | 27.136 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 2258 | LEU | 0 | -0.040 | -0.018 | 31.144 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 2259 | GLN | 0 | -0.085 | -0.051 | 34.028 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 2260 | LEU | 0 | 0.003 | 0.029 | 31.536 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 2261 | ASP | -1 | -0.861 | -0.923 | 35.511 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 2262 | CYS | 0 | -0.079 | -0.046 | 35.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 2263 | ILE | 0 | -0.001 | -0.002 | 28.811 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 2264 | GLY | 0 | 0.074 | 0.046 | 29.594 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 2265 | VAL | 0 | -0.031 | -0.039 | 28.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 2266 | SER | 0 | 0.054 | 0.035 | 24.187 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 2267 | MET | 0 | -0.038 | -0.004 | 22.526 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 2268 | ALA | 0 | -0.033 | -0.024 | 26.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 2269 | GLU | -1 | -0.909 | -0.974 | 25.923 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 2270 | MET | 0 | 0.004 | 0.030 | 20.482 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 2271 | PRO | 0 | -0.022 | -0.005 | 21.261 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 2272 | VAL | 0 | 0.029 | 0.003 | 22.643 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 2273 | ASP | -1 | -0.823 | -0.909 | 21.229 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 2274 | PHE | 0 | 0.039 | 0.008 | 24.330 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 2275 | SER | 0 | 0.003 | -0.016 | 23.005 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 2276 | PHE | 0 | 0.003 | -0.002 | 25.225 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 2277 | VAL | 0 | 0.016 | 0.031 | 25.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 2278 | ASP | -1 | -0.685 | -0.841 | 27.133 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 2279 | THR | 0 | -0.054 | -0.046 | 28.110 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 2280 | THR | 0 | -0.055 | -0.046 | 22.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 2281 | ALA | 0 | -0.026 | -0.010 | 25.843 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 2282 | ARG | 0 | 0.000 | 0.004 | 27.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 2283 | GLN | 0 | 0.058 | 0.013 | 26.361 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 2284 | ILE | 0 | -0.021 | -0.021 | 22.175 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 2285 | VAL | 0 | 0.003 | -0.002 | 25.391 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 2286 | ALA | 0 | 0.024 | 0.024 | 28.570 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 2287 | LEU | 0 | -0.041 | -0.022 | 22.850 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 2288 | ALA | 0 | -0.037 | -0.022 | 26.075 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 2289 | GLN | 0 | -0.003 | 0.003 | 27.163 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 2290 | VAL | 0 | 0.015 | 0.041 | 28.304 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 2291 | ASN | 0 | -0.010 | -0.001 | 28.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 2292 | THR | 0 | 0.029 | 0.018 | 25.594 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 2293 | PRO | 0 | 0.016 | 0.010 | 25.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 2294 | GLN | 0 | -0.021 | -0.009 | 21.420 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 2295 | ILE | 0 | 0.037 | 0.030 | 16.759 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 2296 | ILE | 0 | -0.014 | -0.005 | 13.337 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 2297 | TYR | 0 | 0.010 | 0.005 | 17.575 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 2298 | HIS | 0 | -0.037 | -0.037 | 15.771 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 2299 | VAL | 0 | -0.010 | 0.004 | 19.480 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 2300 | LEU | 0 | -0.009 | -0.014 | 18.353 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 2301 | SER | 0 | 0.046 | 0.021 | 22.260 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 2302 | PRO | 0 | -0.044 | -0.016 | 24.159 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 2303 | ASN | 0 | -0.038 | -0.019 | 25.826 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 2304 | LYS | 1 | 0.889 | 0.960 | 20.235 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 2305 | MET | 0 | -0.014 | -0.005 | 26.009 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 2306 | PRO | 0 | 0.033 | 0.019 | 26.983 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 2307 | VAL | 0 | 0.041 | 0.016 | 25.964 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 2308 | LYS | 1 | 0.836 | 0.916 | 28.687 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 2309 | SER | 0 | -0.035 | -0.008 | 31.536 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 2310 | LEU | 0 | 0.015 | 0.003 | 29.411 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 2311 | LEU | 0 | 0.032 | 0.000 | 32.121 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 2312 | GLU | -1 | -0.816 | -0.884 | 34.106 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 2313 | CYS | 0 | -0.034 | 0.002 | 35.581 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 2314 | VAL | 0 | -0.049 | -0.022 | 34.957 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 2315 | LYS | 1 | 0.865 | 0.952 | 36.548 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 2316 | ARG | 1 | 0.724 | 0.851 | 39.724 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 2317 | LYS | 1 | 0.864 | 0.911 | 41.007 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 2318 | GLU | -1 | -0.804 | -0.883 | 38.603 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 2319 | ILE | 0 | -0.074 | -0.007 | 34.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 2320 | GLU | -1 | -0.841 | -0.937 | 37.736 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 2321 | LEU | 0 | -0.054 | -0.022 | 31.908 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 2322 | VAL | 0 | 0.024 | 0.019 | 33.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 2323 | SER | 0 | 0.002 | -0.021 | 32.434 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 2324 | ASP | -1 | -0.807 | -0.912 | 25.832 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 2325 | GLU | -1 | -0.900 | -0.949 | 28.950 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 2326 | SER | 0 | -0.039 | -0.026 | 30.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 2327 | PHE | 0 | 0.062 | 0.021 | 27.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 2328 | ASN | 0 | 0.028 | 0.017 | 26.932 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 2329 | GLU | -1 | -0.835 | -0.894 | 29.231 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 2330 | ILE | 0 | -0.046 | -0.033 | 32.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 2331 | LEU | 0 | 0.001 | -0.003 | 26.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 2332 | GLN | 0 | -0.021 | -0.017 | 28.262 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 2333 | LYS | 1 | 0.766 | 0.875 | 30.636 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 2334 | GLN | 0 | -0.091 | -0.059 | 33.343 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 2335 | ASP | -1 | -0.850 | -0.902 | 31.024 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 2336 | MET | 0 | -0.061 | 0.004 | 28.790 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 2337 | TYR | 0 | -0.036 | -0.046 | 24.761 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 2338 | GLU | -1 | -0.923 | -0.966 | 23.445 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 2339 | THR | 0 | -0.027 | -0.054 | 22.885 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 2340 | ILE | 0 | 0.017 | 0.039 | 23.307 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 2341 | GLY | 0 | 0.015 | 0.008 | 20.161 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 2342 | LEU | 0 | -0.061 | -0.050 | 18.305 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 2343 | THR | 0 | 0.021 | -0.005 | 19.568 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 2344 | SER | 0 | -0.039 | -0.024 | 18.884 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 2345 | VAL | 0 | -0.113 | -0.047 | 14.158 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 2346 | ASP | -1 | -0.849 | -0.936 | 15.842 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 2347 | ARG | 1 | 0.783 | 0.896 | 18.515 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 2348 | GLU | -1 | -0.837 | -0.915 | 15.580 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 2349 | GLN | 0 | -0.101 | -0.053 | 11.091 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 2350 | GLN | 0 | 0.001 | 0.002 | 13.903 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 2351 | LEU | 0 | -0.060 | -0.039 | 14.280 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 2352 | ALA | 0 | 0.002 | 0.014 | 13.382 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 2353 | MET | 0 | -0.053 | -0.015 | 15.465 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 2354 | ILE | 0 | -0.039 | -0.034 | 14.978 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 2355 | ASP | -1 | -0.851 | -0.910 | 18.172 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 2356 | THR | 0 | 0.034 | -0.002 | 19.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 2357 | THR | 0 | -0.027 | -0.031 | 22.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 2358 | LEU | 0 | -0.022 | -0.002 | 22.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 2359 | THR | 0 | 0.025 | -0.030 | 21.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 2360 | LEU | 0 | -0.028 | 0.003 | 24.186 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 2361 | LYS | 1 | 0.874 | 0.947 | 27.045 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 2362 | ILE | 0 | 0.029 | -0.003 | 25.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 2363 | MET | 0 | 0.005 | 0.019 | 25.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 2364 | ASN | 0 | -0.034 | -0.025 | 29.535 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 2365 | HIS | 0 | -0.029 | -0.017 | 31.953 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 2366 | ILE | 0 | 0.002 | 0.018 | 29.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 2367 | SER | 0 | -0.029 | -0.008 | 33.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 2368 | GLU | -1 | -0.808 | -0.877 | 30.800 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 2369 | LYS | 1 | 0.831 | 0.891 | 31.681 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 2370 | TRP | 0 | 0.017 | 0.010 | 24.822 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 2371 | PRO | 0 | -0.001 | 0.028 | 30.900 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 2372 | THR | 0 | 0.001 | -0.009 | 32.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 2373 | ILE | 0 | 0.032 | 0.024 | 31.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 2374 | THR | 0 | 0.009 | -0.002 | 34.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 2375 | ASN | 0 | 0.013 | -0.023 | 36.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 2376 | ASN | 0 | 0.005 | 0.002 | 38.994 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 2377 | TRP | 0 | -0.011 | 0.001 | 30.628 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 2378 | LEU | 0 | 0.070 | 0.018 | 32.149 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 2379 | TYR | 0 | 0.003 | 0.012 | 35.626 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 2380 | HIS | 0 | -0.034 | -0.036 | 38.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 2381 | TRP | 0 | 0.023 | 0.032 | 29.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 2382 | ALA | 0 | 0.037 | 0.009 | 34.332 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 2383 | GLN | 0 | -0.014 | -0.013 | 35.332 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 2384 | TYR | 0 | 0.014 | 0.029 | 31.882 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 2385 | ILE | 0 | 0.000 | 0.012 | 29.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 2386 | LYS | 1 | 0.906 | 0.954 | 33.808 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 2387 | THR | 0 | -0.033 | -0.038 | 36.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 2388 | ILE | 0 | -0.070 | -0.015 | 32.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 2389 | PHE | 0 | -0.022 | -0.033 | 28.559 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 2390 | ASN | 0 | -0.033 | 0.005 | 34.708 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |