![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 39ZLL
Calculation Name: 3FFS-C-Xray372
Preferred Name: Inosine-5'-monophosphate dehydrogenase, probable
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3FFS
Chain ID: C
ChEMBL ID: CHEMBL6145
UniProt ID: Q8T6T2
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 | 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 | 299 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4070812.083722 |
---|---|
FMO2-HF: Nuclear repulsion | 3958052.287737 |
FMO2-HF: Total energy | -112759.795985 |
FMO2-MP2: Total energy | -113086.936542 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027043/ligand_interaction/ligand_F027043.png)
Ligand Interaction
![ligand interaction](./Kdata/F027043/ligand_interaction/ligand_interaction_F027043.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(C:3:THR)
Summations of interaction energy for
fragment #1(C:3:THR)
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. |
-3.646 | -0.731 | -0.008 | -1.394 | -1.512 | 0 |
Interaction energy analysis for fragmet #1(C:3:THR)
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 | C | 5 | ASN | 0 | 0.002 | 0.003 | 3.813 | -2.072 | 0.624 | -0.009 | -1.307 | -1.379 | 0.000 |
4 | C | 6 | ILE | 0 | 0.012 | -0.004 | 3.972 | -1.607 | -1.388 | 0.001 | -0.087 | -0.133 | 0.000 |
5 | C | 7 | GLY | 0 | 0.023 | 0.027 | 6.250 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 8 | LYS | 1 | 0.772 | 0.870 | 8.514 | 0.791 | 0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 9 | GLY | 0 | 0.026 | 0.021 | 12.065 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 10 | LEU | 0 | 0.003 | -0.004 | 14.546 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 11 | THR | 0 | -0.059 | -0.062 | 18.294 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 12 | PHE | 0 | 0.055 | -0.001 | 21.645 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 13 | GLU | -1 | -0.796 | -0.881 | 24.666 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 14 | ASP | -1 | -0.836 | -0.863 | 19.507 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 15 | ILE | 0 | 0.004 | 0.007 | 21.707 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 16 | LEU | 0 | -0.035 | -0.008 | 24.306 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 17 | LEU | 0 | 0.005 | -0.005 | 26.631 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 18 | VAL | 0 | -0.019 | -0.011 | 27.536 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 19 | PRO | 0 | -0.044 | -0.030 | 30.070 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 20 | ASN | 0 | -0.057 | -0.031 | 31.380 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 21 | TYR | 0 | -0.096 | -0.069 | 34.740 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 22 | SER | 0 | -0.037 | -0.032 | 37.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 23 | GLU | -1 | -0.833 | -0.888 | 39.754 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 24 | VAL | 0 | -0.036 | -0.012 | 40.134 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 25 | LEU | 0 | 0.033 | 0.023 | 42.628 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 26 | PRO | 0 | 0.045 | 0.006 | 42.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 27 | ARG | 1 | 0.881 | 0.913 | 43.093 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 28 | GLU | -1 | -0.908 | -0.948 | 44.874 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 29 | VAL | 0 | -0.025 | 0.016 | 39.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 30 | SER | 0 | -0.004 | -0.008 | 40.409 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 31 | LEU | 0 | -0.029 | -0.030 | 38.348 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 32 | GLU | -1 | -0.889 | -0.949 | 38.572 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 33 | THR | 0 | -0.039 | -0.026 | 33.952 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 34 | LYS | 1 | 0.773 | 0.878 | 34.041 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 35 | LEU | 0 | 0.001 | 0.014 | 33.825 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 36 | THR | 0 | -0.024 | -0.056 | 33.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 37 | LYS | 1 | 0.854 | 0.916 | 33.987 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 38 | ASN | 0 | -0.073 | -0.043 | 35.044 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 39 | VAL | 0 | 0.006 | 0.020 | 37.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 40 | SER | 0 | 0.016 | 0.013 | 37.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 41 | LEU | 0 | -0.025 | -0.013 | 36.165 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 42 | LYS | 1 | 0.915 | 0.962 | 39.734 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 43 | ILE | 0 | -0.017 | -0.003 | 39.811 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 44 | PRO | 0 | 0.016 | -0.001 | 34.296 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 45 | LEU | 0 | -0.032 | 0.005 | 34.863 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 46 | ILE | 0 | 0.024 | 0.003 | 33.154 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 47 | SER | 0 | 0.022 | -0.007 | 35.974 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 48 | SER | 0 | 0.018 | -0.020 | 32.751 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 49 | ALA | 0 | 0.024 | 0.033 | 34.885 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 50 | MET | 0 | -0.059 | -0.040 | 33.685 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 51 | ASP | -1 | -0.778 | -0.892 | 37.537 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 52 | THR | 0 | -0.029 | -0.010 | 38.506 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 53 | VAL | 0 | -0.087 | -0.049 | 37.852 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 54 | THR | 0 | -0.001 | -0.002 | 39.173 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 55 | GLU | -1 | -0.744 | -0.869 | 42.009 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 56 | HIS | 0 | -0.024 | -0.040 | 45.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 57 | LEU | 0 | 0.014 | 0.022 | 47.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 58 | MET | 0 | 0.008 | 0.017 | 42.397 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 59 | ALA | 0 | -0.025 | -0.011 | 43.665 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 60 | VAL | 0 | 0.026 | 0.013 | 44.629 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 61 | GLY | 0 | -0.001 | -0.005 | 46.892 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 62 | MET | 0 | -0.011 | -0.014 | 39.388 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 63 | ALA | 0 | -0.024 | 0.003 | 43.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 64 | ARG | 1 | 0.854 | 0.907 | 45.244 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 65 | LEU | 0 | -0.002 | -0.001 | 44.766 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 66 | GLY | 0 | 0.040 | 0.033 | 44.187 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 67 | GLY | 0 | -0.008 | 0.004 | 40.408 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 68 | ILE | 0 | -0.016 | -0.023 | 38.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 69 | GLY | 0 | 0.060 | 0.028 | 39.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 70 | ILE | 0 | -0.058 | -0.024 | 35.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 71 | ILE | 0 | 0.038 | 0.013 | 39.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 72 | HIS | 0 | -0.009 | -0.008 | 38.861 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 73 | LYS | 1 | 0.905 | 0.929 | 33.668 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 74 | ASN | 0 | -0.107 | -0.046 | 39.932 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 75 | MET | 0 | 0.019 | 0.036 | 41.353 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 76 | ASP | -1 | -0.821 | -0.905 | 43.917 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 77 | MET | 0 | -0.035 | -0.025 | 44.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 78 | GLU | -1 | -0.870 | -0.923 | 46.585 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 79 | SER | 0 | -0.011 | -0.010 | 48.028 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 80 | GLN | 0 | 0.001 | -0.014 | 40.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 81 | VAL | 0 | 0.027 | 0.004 | 46.195 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 82 | ASN | 0 | -0.043 | -0.036 | 48.129 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 83 | GLU | -1 | -0.793 | -0.866 | 46.785 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 84 | VAL | 0 | 0.005 | 0.002 | 44.816 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 85 | LEU | 0 | -0.009 | -0.008 | 47.541 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 86 | LYS | 1 | 0.802 | 0.882 | 50.712 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 87 | VAL | 0 | -0.025 | 0.000 | 46.625 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 88 | LYS | 1 | 0.739 | 0.851 | 45.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 89 | ASN | 0 | -0.028 | -0.030 | 50.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 90 | TRP | 0 | 0.003 | 0.011 | 52.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 91 | ILE | 0 | -0.015 | 0.006 | 55.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 124 | TYR | 0 | 0.038 | 0.012 | 51.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 125 | SER | 0 | -0.016 | -0.013 | 51.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 126 | ASN | 0 | -0.032 | -0.035 | 44.947 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 127 | GLU | -1 | -0.882 | -0.932 | 47.016 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 128 | ASN | 0 | -0.092 | -0.040 | 41.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 129 | LEU | 0 | 0.021 | 0.007 | 45.916 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 130 | ASP | -1 | -0.783 | -0.874 | 46.630 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 131 | ASN | 0 | -0.005 | -0.028 | 46.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 132 | LYS | 1 | 0.818 | 0.902 | 49.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 133 | GLY | 0 | 0.000 | 0.016 | 51.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 134 | ARG | 1 | 0.910 | 0.966 | 50.064 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 135 | LEU | 0 | 0.021 | 0.016 | 48.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 136 | ARG | 1 | 0.851 | 0.923 | 42.982 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 137 | VAL | 0 | 0.027 | -0.001 | 42.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 138 | GLY | 0 | -0.018 | 0.005 | 39.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 139 | ALA | 0 | 0.008 | 0.006 | 39.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 140 | ALA | 0 | -0.006 | 0.002 | 35.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 141 | ILE | 0 | -0.032 | -0.016 | 34.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 142 | GLY | 0 | 0.038 | -0.003 | 33.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 143 | VAL | 0 | -0.029 | -0.017 | 30.903 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 144 | ASN | 0 | -0.055 | -0.044 | 34.248 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 145 | GLU | -1 | -0.812 | -0.873 | 37.240 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 146 | ILE | 0 | 0.040 | 0.008 | 37.201 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 147 | GLU | -1 | -0.910 | -0.950 | 40.668 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 148 | ARG | 1 | 0.849 | 0.892 | 40.551 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 149 | ALA | 0 | -0.018 | -0.016 | 39.573 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 150 | LYS | 1 | 0.829 | 0.898 | 41.592 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 151 | LEU | 0 | 0.052 | 0.041 | 44.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 152 | LEU | 0 | -0.001 | 0.000 | 41.585 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 153 | VAL | 0 | -0.016 | -0.013 | 42.423 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 154 | GLU | -1 | -0.860 | -0.925 | 45.302 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 155 | ALA | 0 | 0.005 | 0.016 | 48.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 156 | GLY | 0 | -0.055 | -0.021 | 47.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 157 | VAL | 0 | -0.019 | -0.008 | 42.074 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 158 | ASP | -1 | -0.809 | -0.894 | 41.755 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 159 | VAL | 0 | -0.035 | -0.026 | 35.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 160 | ILE | 0 | 0.023 | 0.024 | 36.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 161 | VAL | 0 | -0.018 | -0.021 | 32.593 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 162 | LEU | 0 | 0.008 | 0.016 | 30.602 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 163 | ASP | -1 | -0.790 | -0.895 | 30.276 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 164 | SER | 0 | -0.014 | -0.016 | 26.961 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 165 | ALA | 0 | 0.012 | 0.015 | 26.427 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 166 | HIS | 0 | -0.001 | -0.004 | 19.237 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 167 | GLY | 0 | 0.048 | 0.037 | 23.675 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 168 | HIS | 0 | -0.058 | -0.043 | 17.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 169 | SER | 0 | 0.022 | 0.001 | 21.460 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 170 | LEU | 0 | 0.068 | 0.028 | 24.121 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 171 | ASN | 0 | 0.038 | 0.015 | 26.292 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 172 | ILE | 0 | 0.021 | 0.041 | 26.802 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 173 | ILE | 0 | 0.049 | 0.022 | 24.176 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 174 | ARG | 1 | 0.881 | 0.929 | 28.726 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 175 | THR | 0 | 0.015 | 0.000 | 31.885 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 176 | LEU | 0 | 0.010 | 0.010 | 29.254 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 177 | LYS | 1 | 0.911 | 0.964 | 28.854 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 178 | GLU | -1 | -0.889 | -0.908 | 34.270 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 179 | ILE | 0 | 0.042 | 0.023 | 35.892 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 180 | LYS | 1 | 0.847 | 0.890 | 34.066 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 181 | SER | 0 | -0.058 | -0.050 | 37.756 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 182 | LYS | 1 | 0.791 | 0.863 | 39.907 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 183 | MET | 0 | -0.036 | 0.003 | 40.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 184 | ASN | 0 | -0.134 | -0.056 | 39.048 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 185 | ILE | 0 | 0.041 | 0.046 | 38.683 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 186 | ASP | -1 | -0.785 | -0.862 | 36.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 187 | VAL | 0 | -0.012 | -0.025 | 32.735 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 188 | ILE | 0 | -0.001 | 0.017 | 30.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 189 | VAL | 0 | -0.025 | -0.022 | 26.777 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 190 | GLY | 0 | 0.018 | -0.002 | 27.719 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 191 | ASN | 0 | -0.041 | -0.012 | 24.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 192 | VAL | 0 | 0.028 | 0.018 | 20.233 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 193 | VAL | 0 | 0.007 | -0.011 | 16.544 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 194 | THR | 0 | -0.016 | -0.020 | 14.190 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 195 | GLU | -1 | -0.725 | -0.834 | 13.049 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 196 | GLU | -1 | -0.840 | -0.921 | 12.356 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 197 | ALA | 0 | 0.003 | 0.008 | 16.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 198 | THR | 0 | -0.028 | -0.033 | 19.158 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 199 | LYS | 1 | 0.823 | 0.891 | 19.418 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 200 | GLU | -1 | -0.882 | -0.932 | 20.892 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 201 | LEU | 0 | -0.007 | -0.006 | 22.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 202 | ILE | 0 | 0.002 | 0.005 | 24.422 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 203 | GLU | -1 | -0.861 | -0.908 | 23.474 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 204 | ASN | 0 | -0.067 | -0.048 | 26.009 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 205 | GLY | 0 | 0.006 | 0.001 | 29.385 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 206 | ALA | 0 | 0.025 | 0.030 | 28.002 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 207 | ASP | -1 | -0.750 | -0.835 | 30.070 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 208 | GLY | 0 | 0.071 | 0.019 | 29.554 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 209 | ILE | 0 | -0.050 | -0.020 | 23.674 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 210 | LYS | 1 | 0.798 | 0.898 | 26.773 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 211 | VAL | 0 | 0.005 | -0.004 | 21.283 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 212 | GLY | 0 | 0.063 | 0.031 | 23.012 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 213 | ILE | 0 | -0.055 | 0.003 | 20.074 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 223 | ILE | 0 | 0.023 | -0.008 | 23.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 224 | VAL | 0 | 0.006 | -0.005 | 22.934 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 225 | ALA | 0 | 0.009 | 0.011 | 22.845 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 226 | GLY | 0 | -0.006 | 0.001 | 19.393 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 227 | VAL | 0 | -0.024 | -0.007 | 17.071 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 228 | GLY | 0 | 0.014 | 0.000 | 16.893 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 229 | VAL | 0 | -0.040 | -0.015 | 14.035 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 230 | PRO | 0 | -0.022 | -0.010 | 15.274 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 231 | GLN | 0 | 0.057 | 0.009 | 18.249 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 232 | ILE | 0 | 0.002 | 0.015 | 19.956 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 233 | THR | 0 | 0.067 | 0.031 | 14.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 234 | ALA | 0 | -0.028 | -0.002 | 16.823 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 235 | ILE | 0 | 0.011 | 0.001 | 18.246 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 236 | GLU | -1 | -0.806 | -0.863 | 17.309 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 237 | LYS | 1 | 0.809 | 0.889 | 11.362 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 238 | CYS | 0 | -0.014 | 0.008 | 16.706 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 239 | SER | 0 | 0.029 | -0.006 | 19.715 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 240 | SER | 0 | -0.068 | -0.032 | 17.342 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 241 | VAL | 0 | -0.068 | -0.032 | 17.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 242 | ALA | 0 | 0.033 | 0.022 | 20.191 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 243 | SER | 0 | 0.007 | 0.006 | 23.597 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 244 | LYS | 1 | 0.844 | 0.926 | 19.892 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 245 | PHE | 0 | -0.003 | 0.004 | 24.350 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 246 | GLY | 0 | 0.023 | 0.021 | 28.898 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 247 | ILE | 0 | -0.025 | -0.025 | 28.005 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 248 | PRO | 0 | -0.003 | 0.013 | 28.110 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 249 | ILE | 0 | 0.024 | 0.020 | 23.423 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 250 | ILE | 0 | -0.009 | -0.007 | 26.746 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 251 | ALA | 0 | 0.043 | 0.028 | 26.083 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 252 | ASP | -1 | -0.802 | -0.928 | 26.545 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 253 | GLY | 0 | 0.026 | 0.023 | 26.688 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 254 | GLY | 0 | -0.024 | -0.027 | 26.381 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 255 | ILE | 0 | -0.034 | -0.016 | 27.371 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 256 | ARG | 1 | 0.779 | 0.875 | 28.058 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 257 | TYR | 0 | 0.001 | -0.002 | 31.191 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 258 | SER | 0 | 0.011 | 0.011 | 33.582 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 259 | GLY | 0 | 0.021 | 0.013 | 33.256 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 260 | ASP | -1 | -0.747 | -0.873 | 29.189 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 261 | ILE | 0 | 0.017 | 0.007 | 29.291 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 262 | GLY | 0 | 0.032 | 0.015 | 30.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 263 | LYS | 1 | 0.794 | 0.878 | 26.489 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 264 | ALA | 0 | -0.001 | -0.006 | 25.946 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 265 | LEU | 0 | -0.025 | -0.012 | 26.419 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 266 | ALA | 0 | 0.003 | 0.000 | 27.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 267 | VAL | 0 | -0.043 | -0.013 | 21.481 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 268 | GLY | 0 | 0.033 | 0.015 | 23.093 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 269 | ALA | 0 | -0.066 | -0.014 | 25.499 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 270 | SER | 0 | -0.020 | -0.006 | 27.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 271 | SER | 0 | -0.006 | -0.001 | 30.394 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 272 | VAL | 0 | -0.024 | -0.016 | 29.945 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 273 | MET | 0 | -0.057 | 0.004 | 30.947 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 274 | ILE | 0 | -0.001 | -0.005 | 31.890 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 275 | GLY | 0 | 0.074 | 0.019 | 34.356 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 276 | SER | 0 | 0.014 | 0.008 | 33.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 277 | ILE | 0 | 0.000 | -0.007 | 33.935 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 278 | LEU | 0 | 0.069 | 0.022 | 37.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 279 | ALA | 0 | -0.012 | -0.003 | 38.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 280 | GLY | 0 | 0.040 | 0.034 | 40.842 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 281 | THR | 0 | -0.027 | -0.020 | 43.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 282 | GLU | -1 | -0.784 | -0.840 | 46.043 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 283 | GLU | -1 | -0.791 | -0.904 | 46.916 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 284 | SER | 0 | -0.081 | -0.042 | 44.215 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 285 | PRO | 0 | -0.007 | -0.016 | 43.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 286 | GLY | 0 | 0.002 | 0.026 | 46.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 287 | GLU | -1 | -0.849 | -0.911 | 48.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 288 | LYS | 1 | 0.802 | 0.871 | 51.320 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 289 | GLU | -1 | -0.865 | -0.926 | 51.295 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 290 | LEU | 0 | -0.026 | -0.024 | 52.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 291 | ILE | 0 | -0.026 | -0.011 | 50.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 292 | GLY | 0 | 0.015 | 0.012 | 52.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 293 | ASP | -1 | -0.929 | -0.951 | 52.412 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 294 | THR | 0 | -0.016 | -0.013 | 48.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 295 | VAL | 0 | 0.022 | 0.006 | 51.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 296 | TYR | 0 | -0.028 | -0.029 | 46.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 297 | LYS | 1 | 0.825 | 0.918 | 46.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 334 | ARG | 1 | 0.910 | 0.967 | 43.610 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 335 | VAL | 0 | -0.039 | -0.013 | 41.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 336 | LYS | 1 | 0.875 | 0.929 | 43.438 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 337 | TYR | 0 | -0.036 | -0.050 | 44.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 338 | LYS | 1 | 0.809 | 0.899 | 39.480 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 339 | GLY | 0 | 0.047 | 0.045 | 46.345 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 340 | GLU | -1 | -0.884 | -0.943 | 47.914 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 341 | MET | 0 | -0.045 | -0.016 | 44.232 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 342 | GLU | -1 | -0.739 | -0.840 | 44.696 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 343 | GLY | 0 | -0.013 | 0.012 | 46.075 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 344 | VAL | 0 | -0.021 | -0.011 | 40.472 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 345 | VAL | 0 | 0.020 | 0.001 | 41.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 346 | TYR | 0 | -0.019 | -0.042 | 41.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 347 | GLN | 0 | -0.003 | 0.009 | 39.315 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 348 | LEU | 0 | -0.025 | -0.027 | 36.560 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 349 | VAL | 0 | 0.019 | 0.009 | 38.318 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 350 | GLY | 0 | -0.007 | 0.001 | 40.358 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 351 | GLY | 0 | -0.018 | -0.014 | 37.682 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 352 | LEU | 0 | 0.015 | 0.007 | 34.993 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 353 | ARG | 1 | 0.868 | 0.931 | 36.980 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 354 | SER | 0 | -0.014 | -0.003 | 38.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 355 | CYS | 0 | -0.006 | 0.002 | 33.008 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 356 | MET | 0 | -0.026 | -0.001 | 35.125 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 357 | GLY | 0 | 0.030 | 0.038 | 36.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 358 | TYR | 0 | -0.027 | -0.018 | 35.514 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 359 | LEU | 0 | -0.003 | -0.001 | 29.683 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 360 | GLY | 0 | 0.033 | 0.033 | 34.207 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 361 | SER | 0 | -0.043 | -0.020 | 34.453 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 362 | ALA | 0 | 0.062 | 0.021 | 36.608 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 363 | SER | 0 | -0.020 | -0.019 | 36.525 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 364 | ILE | 0 | 0.081 | 0.024 | 31.920 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 365 | GLU | -1 | -0.796 | -0.888 | 32.029 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 366 | GLU | -1 | -0.823 | -0.886 | 32.252 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 367 | LEU | 0 | 0.015 | 0.012 | 30.294 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 368 | TRP | 0 | -0.024 | -0.010 | 22.080 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 369 | LYS | 1 | 0.777 | 0.867 | 27.353 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 370 | LYS | 1 | 0.799 | 0.902 | 29.354 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 371 | SER | 0 | 0.033 | 0.017 | 26.785 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 372 | SER | 0 | -0.012 | -0.013 | 25.204 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 373 | TYR | 0 | -0.091 | -0.069 | 19.013 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 374 | VAL | 0 | 0.004 | 0.008 | 23.459 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 375 | GLU | -1 | -0.815 | -0.916 | 17.627 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 376 | ILE | 0 | -0.044 | -0.014 | 22.310 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 377 | THR | 0 | 0.005 | 0.017 | 21.691 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 378 | THR | 0 | -0.048 | -0.032 | 23.849 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |