FMODB ID: 5JQQZ
Calculation Name: 1Y6K-L-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1Y6K
Chain ID: L
UniProt ID: Q13651
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 143 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1217383.4888 |
---|---|
FMO2-HF: Nuclear repulsion | 1155977.156383 |
FMO2-HF: Total energy | -61406.332417 |
FMO2-MP2: Total energy | -61579.209545 |
3D Structure
Ligand structure
Ligand Interaction
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(L:12:CYS)
Summations of interaction energy for
fragment #1(L:12:CYS)
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. |
-42.368 | -30.055 | 14.745 | -8.5 | -18.56 | -0.057 |
Interaction energy analysis for fragmet #1(L:12:CYS)
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 | L | 14 | HIS | 0 | 0.005 | -0.026 | 2.990 | -3.783 | -1.133 | 3.679 | -2.662 | -3.667 | 0.003 |
4 | L | 15 | PHE | 0 | 0.015 | -0.009 | 2.799 | -2.153 | -4.320 | 8.976 | 0.231 | -7.041 | -0.012 |
5 | L | 16 | PRO | 0 | 0.001 | 0.008 | 4.511 | -2.240 | -2.034 | 0.027 | -0.042 | -0.191 | 0.001 |
6 | L | 17 | GLY | 0 | 0.067 | 0.037 | 7.795 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | L | 18 | ASN | 0 | -0.040 | -0.021 | 6.505 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | L | 19 | LEU | 0 | 0.043 | 0.026 | 5.042 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | L | 20 | PRO | 0 | 0.037 | 0.018 | 8.629 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | L | 21 | ASN | 0 | -0.052 | -0.019 | 12.187 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | L | 22 | MET | 0 | 0.023 | 0.020 | 8.897 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | L | 23 | LEU | 0 | -0.012 | -0.007 | 11.007 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | L | 24 | ARG | 1 | 0.859 | 0.920 | 13.511 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | L | 25 | ASP | -1 | -0.821 | -0.912 | 14.380 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | L | 26 | LEU | 0 | 0.017 | 0.011 | 14.080 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | L | 27 | ARG | 1 | 0.939 | 0.972 | 16.334 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | L | 28 | ASP | -1 | -0.813 | -0.894 | 19.429 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | L | 29 | ALA | 0 | -0.009 | 0.019 | 19.592 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | L | 30 | PHE | 0 | 0.044 | 0.016 | 20.802 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | L | 31 | SER | 0 | -0.072 | -0.055 | 22.546 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | L | 32 | ARG | 1 | 0.869 | 0.924 | 23.974 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | L | 33 | VAL | 0 | 0.039 | 0.013 | 24.804 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | L | 34 | LYS | 1 | 0.907 | 0.974 | 26.168 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | L | 35 | THR | 0 | 0.014 | -0.009 | 27.720 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | L | 36 | PHE | 0 | 0.040 | 0.032 | 30.796 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | L | 37 | PHE | 0 | 0.042 | 0.003 | 27.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | L | 38 | GLN | 0 | -0.052 | -0.035 | 28.559 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | L | 39 | MET | 0 | -0.018 | 0.003 | 31.782 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | L | 40 | LYS | 1 | 0.788 | 0.887 | 33.574 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | L | 41 | ASP | -1 | -0.911 | -0.954 | 31.743 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | L | 42 | GLN | 0 | -0.072 | -0.043 | 34.215 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | L | 43 | LEU | 0 | -0.023 | 0.002 | 34.821 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | L | 44 | ASP | -1 | -0.902 | -0.945 | 34.157 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | L | 45 | ASN | 0 | -0.092 | -0.049 | 32.777 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | L | 46 | LEU | 0 | 0.041 | 0.026 | 26.174 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | L | 47 | LEU | 0 | 0.021 | 0.019 | 26.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | L | 48 | LEU | 0 | 0.006 | -0.010 | 21.593 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | L | 49 | LYS | 1 | 0.893 | 0.938 | 25.227 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | L | 50 | GLU | -1 | -0.886 | -0.945 | 24.215 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | L | 51 | SER | 0 | 0.027 | 0.008 | 23.590 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | L | 52 | LEU | 0 | 0.049 | 0.034 | 19.797 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | L | 53 | LEU | 0 | -0.026 | -0.007 | 18.046 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | L | 54 | GLU | -1 | -0.780 | -0.889 | 19.186 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | L | 55 | ASP | -1 | -0.894 | -0.947 | 20.005 | -0.759 | -0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | L | 56 | PHE | 0 | -0.116 | -0.073 | 15.483 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | L | 57 | LYS | 1 | 0.763 | 0.867 | 15.275 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | L | 58 | GLY | 0 | 0.045 | 0.045 | 17.483 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | L | 59 | TYR | 0 | -0.034 | -0.029 | 16.856 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | L | 60 | LEU | 0 | 0.029 | 0.009 | 17.327 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | L | 61 | GLY | 0 | 0.029 | 0.031 | 15.015 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | L | 62 | CYS | 0 | -0.082 | -0.028 | 8.224 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | L | 63 | GLN | 0 | -0.022 | -0.014 | 12.315 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | L | 64 | ALA | 0 | 0.074 | 0.041 | 14.987 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | L | 65 | LEU | 0 | -0.013 | -0.003 | 10.481 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | L | 66 | SER | 0 | -0.026 | -0.041 | 11.476 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | L | 67 | GLU | -1 | -0.871 | -0.918 | 13.142 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | L | 68 | MET | 0 | 0.001 | 0.009 | 16.592 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | L | 69 | ILE | 0 | -0.043 | -0.031 | 11.283 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | L | 70 | GLN | 0 | -0.034 | -0.004 | 14.924 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | L | 71 | PHE | 0 | 0.070 | 0.037 | 17.130 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | L | 72 | TYR | 0 | -0.017 | -0.021 | 18.287 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | L | 73 | LEU | 0 | -0.058 | -0.043 | 14.460 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | L | 74 | GLU | -1 | -0.921 | -0.955 | 18.337 | -0.959 | -0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | L | 75 | GLU | -1 | -0.902 | -0.943 | 21.274 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | L | 76 | VAL | 0 | -0.022 | -0.010 | 23.101 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | L | 77 | MET | 0 | -0.052 | -0.016 | 19.673 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | L | 78 | PRO | 0 | 0.032 | 0.022 | 22.205 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | L | 79 | GLN | 0 | -0.014 | -0.006 | 25.166 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | L | 80 | ALA | 0 | 0.022 | 0.010 | 26.774 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | L | 81 | GLU | -1 | -0.879 | -0.948 | 23.060 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | L | 82 | ASN | 0 | -0.059 | -0.045 | 27.889 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | L | 83 | GLN | 0 | -0.023 | 0.011 | 30.715 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | L | 84 | ASP | -1 | -0.771 | -0.867 | 31.948 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | L | 85 | PRO | 0 | 0.005 | -0.015 | 31.893 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | L | 86 | ASP | -1 | -0.913 | -0.947 | 32.102 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | L | 87 | ILE | 0 | -0.032 | -0.016 | 28.538 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | L | 88 | LYS | 1 | 0.915 | 0.977 | 27.557 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | L | 89 | ALA | 0 | 0.027 | 0.007 | 26.160 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | L | 90 | HIS | 0 | 0.013 | 0.023 | 24.772 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | L | 91 | VAL | 0 | 0.017 | 0.005 | 23.572 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | L | 92 | ASN | 0 | -0.036 | -0.014 | 21.980 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | L | 93 | SER | 0 | -0.014 | -0.025 | 20.272 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | L | 94 | LEU | 0 | -0.042 | -0.015 | 18.680 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | L | 95 | GLY | 0 | 0.066 | 0.024 | 17.607 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | L | 96 | GLU | -1 | -0.850 | -0.917 | 15.902 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | L | 97 | ASN | 0 | -0.063 | -0.028 | 14.325 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | L | 98 | LEU | 0 | 0.035 | 0.018 | 12.964 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | L | 99 | LYS | 1 | 0.880 | 0.933 | 11.778 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | L | 100 | THR | 0 | -0.037 | -0.035 | 10.049 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | L | 101 | LEU | 0 | -0.027 | -0.016 | 8.672 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | L | 102 | ARG | 1 | 0.849 | 0.904 | 7.155 | 1.084 | 1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | L | 103 | LEU | 0 | -0.019 | -0.015 | 6.045 | -2.236 | -2.236 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | L | 104 | ARG | 1 | 0.842 | 0.915 | 4.029 | -4.689 | -4.236 | 0.012 | -0.157 | -0.307 | -0.001 |
94 | L | 105 | LEU | 0 | 0.026 | 0.013 | 2.814 | -8.987 | -5.787 | 0.432 | -1.389 | -2.244 | -0.015 |
95 | L | 106 | ARG | 1 | 0.904 | 0.955 | 2.427 | -7.994 | -3.126 | 1.398 | -3.339 | -2.927 | -0.034 |
98 | L | 110 | ARG | 1 | 0.958 | 0.972 | 3.903 | -0.527 | 1.356 | -0.012 | -0.896 | -0.976 | 0.001 |
99 | L | 111 | PHE | 0 | -0.015 | -0.004 | 2.725 | 0.734 | 1.811 | 0.235 | -0.227 | -1.085 | 0.000 |
100 | L | 112 | LEU | 0 | 0.030 | 0.009 | 5.556 | 0.714 | 0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | L | 113 | PRO | 0 | 0.006 | -0.005 | 6.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | L | 115 | GLU | -1 | -0.721 | -0.828 | 7.925 | -3.781 | -3.781 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | L | 116 | ASN | 0 | -0.104 | -0.059 | 4.362 | -0.779 | -0.636 | -0.002 | -0.019 | -0.122 | 0.000 |
104 | L | 117 | LYS | 1 | 0.877 | 0.927 | 8.159 | 1.015 | 1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | L | 118 | SER | 0 | 0.054 | 0.025 | 10.393 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | L | 119 | LYS | 1 | 0.966 | 0.974 | 11.150 | -1.109 | -1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | L | 120 | ALA | 0 | 0.050 | 0.025 | 12.984 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | L | 121 | VAL | 0 | 0.062 | 0.031 | 16.165 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | L | 122 | GLU | -1 | -0.763 | -0.866 | 14.588 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | L | 123 | GLN | 0 | -0.020 | -0.022 | 16.069 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | L | 124 | VAL | 0 | 0.038 | 0.025 | 18.698 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | L | 125 | LYS | 1 | 0.903 | 0.950 | 17.272 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | L | 126 | ASN | 0 | -0.012 | -0.011 | 18.812 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | L | 127 | ALA | 0 | -0.003 | 0.001 | 22.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | L | 128 | PHE | 0 | 0.022 | 0.015 | 24.846 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | L | 129 | ASN | 0 | -0.027 | -0.036 | 23.296 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | L | 130 | LYS | 1 | 0.876 | 0.937 | 21.957 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | L | 131 | LEU | 0 | 0.003 | 0.018 | 27.962 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | L | 132 | GLN | 0 | 0.000 | 0.002 | 29.917 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | L | 133 | GLU | -1 | -0.752 | -0.864 | 31.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | L | 134 | LYS | 1 | 0.807 | 0.884 | 34.063 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | L | 135 | GLY | 0 | 0.001 | 0.007 | 30.234 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | L | 136 | ILE | 0 | -0.011 | -0.008 | 30.915 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | L | 137 | TYR | 0 | 0.005 | 0.000 | 32.514 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | L | 138 | LYS | 1 | 0.874 | 0.934 | 29.643 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | L | 139 | ALA | 0 | 0.021 | 0.003 | 28.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | L | 140 | MET | 0 | -0.024 | -0.013 | 30.379 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | L | 141 | SER | 0 | -0.086 | -0.048 | 33.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | L | 142 | GLU | -1 | -0.827 | -0.891 | 29.554 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | L | 143 | PHE | 0 | -0.007 | -0.009 | 29.747 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | L | 144 | ASP | -1 | -0.827 | -0.921 | 31.197 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | L | 145 | ILE | 0 | -0.011 | 0.004 | 28.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | L | 146 | PHE | 0 | -0.060 | -0.025 | 23.776 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | L | 147 | ILE | 0 | 0.034 | 0.011 | 27.169 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | L | 148 | ASN | 0 | 0.032 | 0.012 | 29.201 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | L | 149 | TYR | 0 | -0.068 | -0.033 | 23.849 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | L | 150 | ILE | 0 | -0.027 | -0.005 | 24.907 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | L | 151 | GLU | -1 | -0.893 | -0.948 | 26.120 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | L | 152 | ALA | 0 | -0.005 | 0.010 | 25.813 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | L | 153 | TYR | 0 | -0.047 | -0.023 | 19.001 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | L | 154 | MET | 0 | -0.036 | -0.018 | 23.722 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | L | 155 | THR | 0 | -0.058 | -0.023 | 26.202 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | L | 156 | MET | 0 | -0.118 | -0.060 | 19.812 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |