![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 395RL
Calculation Name: 3LOD-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LOD
Chain ID: A
UniProt ID: A6T8Z3
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 145 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1322436.892147 |
---|---|
FMO2-HF: Nuclear repulsion | 1265869.739498 |
FMO2-HF: Total energy | -56567.152648 |
FMO2-MP2: Total energy | -56731.042885 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031278/ligand_interaction/ligand_F031278.png)
Ligand Interaction
![ligand interaction](./Kdata/F031278/ligand_interaction/ligand_interaction_F031278.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:-1:ASN)
Summations of interaction energy for
fragment #1(A:-1:ASN)
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. |
-29.819 | -28.556 | 11.596 | -5.372 | -7.488 | 0.042 |
Interaction energy analysis for fragmet #1(A:-1:ASN)
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 | 1 | MET | 0 | -0.086 | -0.046 | 1.831 | -11.506 | -12.965 | 11.222 | -4.915 | -4.848 | 0.043 |
4 | A | 2 | TYR | 0 | 0.030 | 0.024 | 3.253 | -6.251 | -5.182 | 0.223 | 0.193 | -1.486 | 0.006 |
5 | A | 3 | THR | 0 | -0.026 | -0.019 | 5.570 | 0.284 | 0.324 | -0.001 | 0.001 | -0.039 | 0.000 |
6 | A | 4 | ILE | 0 | -0.003 | -0.004 | 9.128 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 5 | THR | 0 | -0.020 | -0.004 | 12.367 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 6 | ASP | -1 | -0.813 | -0.900 | 15.807 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 7 | ILE | 0 | -0.025 | -0.015 | 18.300 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 8 | ALA | 0 | 0.032 | 0.028 | 20.804 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 9 | PRO | 0 | 0.030 | 0.004 | 23.563 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 10 | THR | 0 | -0.004 | -0.023 | 25.270 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 11 | ASP | -1 | -0.858 | -0.916 | 21.524 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 12 | ALA | 0 | 0.033 | 0.004 | 23.513 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 13 | GLU | -1 | -0.795 | -0.880 | 16.425 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 14 | PHE | 0 | -0.046 | -0.017 | 19.545 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 15 | ILE | 0 | 0.008 | -0.004 | 21.131 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 16 | ALA | 0 | 0.001 | 0.012 | 20.382 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 17 | LEU | 0 | -0.008 | -0.006 | 15.724 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 18 | ILE | 0 | -0.009 | 0.001 | 19.780 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 19 | ALA | 0 | 0.020 | 0.018 | 23.010 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 20 | ALA | 0 | 0.008 | 0.002 | 20.409 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 21 | LEU | 0 | -0.069 | -0.038 | 20.826 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 22 | ASP | -1 | -0.798 | -0.881 | 22.227 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 23 | ALA | 0 | -0.010 | 0.009 | 24.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 24 | TRP | 0 | -0.022 | -0.010 | 21.008 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 25 | GLN | 0 | -0.080 | -0.057 | 24.230 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 26 | GLU | -1 | -0.861 | -0.905 | 26.382 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 27 | THR | 0 | -0.170 | -0.079 | 26.300 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 37 | LEU | 0 | 0.061 | 0.011 | 29.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | ASP | -1 | -0.926 | -0.974 | 31.119 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | LEU | 0 | 0.006 | -0.003 | 25.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | SER | 0 | -0.078 | -0.028 | 29.597 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | GLN | 0 | -0.029 | -0.014 | 30.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | LEU | 0 | 0.018 | 0.020 | 31.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | PRO | 0 | 0.045 | 0.022 | 33.142 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | PRO | 0 | 0.064 | 0.035 | 30.265 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | GLN | 0 | 0.024 | 0.018 | 29.454 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | THR | 0 | -0.071 | -0.040 | 29.983 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | VAL | 0 | 0.013 | 0.012 | 25.887 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | ILE | 0 | -0.021 | 0.002 | 21.687 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | ALA | 0 | 0.027 | 0.012 | 21.548 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | LEU | 0 | -0.012 | -0.002 | 16.346 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | ALA | 0 | 0.031 | 0.007 | 15.130 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | ILE | 0 | -0.037 | -0.024 | 8.932 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | ARG | 1 | 0.760 | 0.855 | 10.159 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 54 | SER | 0 | 0.065 | 0.030 | 6.459 | 0.728 | 0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 55 | PRO | 0 | -0.008 | -0.021 | 3.717 | 0.133 | 0.351 | 0.000 | -0.033 | -0.185 | 0.000 |
49 | A | 56 | GLN | 0 | -0.029 | -0.009 | 6.667 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLY | 0 | 0.046 | 0.034 | 9.620 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 58 | GLU | -1 | -0.938 | -0.963 | 10.764 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 59 | ALA | 0 | -0.006 | 0.009 | 11.193 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | VAL | 0 | 0.011 | 0.011 | 8.938 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | GLY | 0 | 0.009 | -0.012 | 12.284 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | CYS | 0 | -0.035 | -0.004 | 14.176 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | GLY | 0 | 0.023 | 0.012 | 16.773 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | ALA | 0 | 0.005 | -0.001 | 19.365 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | ILE | 0 | -0.031 | -0.012 | 22.342 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | VAL | 0 | 0.010 | 0.013 | 25.003 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | LEU | 0 | -0.009 | -0.004 | 27.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | SER | 0 | -0.049 | -0.024 | 30.572 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | GLU | -1 | -0.918 | -0.980 | 34.191 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | GLU | -1 | -0.915 | -0.952 | 36.691 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | GLY | 0 | 0.036 | 0.030 | 33.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | PHE | 0 | -0.008 | 0.000 | 31.571 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLY | 0 | 0.055 | 0.019 | 28.268 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | GLU | -1 | -0.842 | -0.884 | 28.430 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | MET | 0 | -0.025 | -0.007 | 20.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LYS | 1 | 0.868 | 0.909 | 24.035 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | ARG | 1 | 0.789 | 0.851 | 22.975 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | VAL | 0 | 0.034 | 0.025 | 17.387 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | TYR | 0 | 0.029 | 0.014 | 16.910 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | ILE | 0 | -0.018 | -0.011 | 10.713 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | ASP | -1 | -0.737 | -0.874 | 12.934 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | PRO | 0 | -0.028 | -0.026 | 12.190 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | GLN | 0 | -0.065 | -0.023 | 11.147 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | HIS | 0 | 0.051 | 0.033 | 7.952 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | ARG | 1 | 0.831 | 0.921 | 7.622 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | GLY | 0 | 0.022 | 0.006 | 8.522 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | GLN | 0 | -0.052 | -0.035 | 2.936 | -5.271 | -3.876 | 0.152 | -0.618 | -0.930 | -0.007 |
81 | A | 88 | GLN | 0 | -0.008 | 0.003 | 5.254 | -0.995 | -0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | LEU | 0 | 0.055 | 0.032 | 5.737 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | GLY | 0 | 0.008 | 0.011 | 8.968 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | GLU | -1 | -0.778 | -0.886 | 10.258 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | LYS | 1 | 0.838 | 0.927 | 6.578 | -3.751 | -3.751 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | LEU | 0 | 0.016 | -0.006 | 10.944 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 94 | LEU | 0 | 0.021 | 0.012 | 13.576 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 95 | ALA | 0 | 0.007 | -0.001 | 14.108 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 96 | ALA | 0 | 0.011 | 0.013 | 14.153 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | LEU | 0 | -0.005 | -0.007 | 16.217 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | GLU | -1 | -0.747 | -0.842 | 19.241 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | ALA | 0 | -0.072 | -0.030 | 18.767 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | LYS | 1 | 0.849 | 0.901 | 19.595 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | ALA | 0 | 0.019 | 0.015 | 22.119 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | ARG | 1 | 0.883 | 0.931 | 20.671 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | GLN | 0 | -0.072 | -0.023 | 21.375 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | ARG | 1 | 0.820 | 0.896 | 26.412 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | ASP | -1 | -0.908 | -0.935 | 28.799 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | CYS | 0 | -0.119 | -0.038 | 27.510 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | HIS | 0 | 0.034 | 0.004 | 28.598 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | THR | 0 | -0.054 | -0.034 | 28.640 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | LEU | 0 | -0.028 | -0.001 | 23.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | ARG | 1 | 0.905 | 0.941 | 27.049 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | LEU | 0 | -0.032 | -0.011 | 23.042 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | GLU | -1 | -0.831 | -0.911 | 27.212 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | THR | 0 | -0.051 | -0.007 | 23.471 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | GLY | 0 | 0.148 | 0.072 | 26.946 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | ILE | 0 | 0.011 | -0.013 | 26.717 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | HIS | 0 | 0.006 | 0.006 | 26.893 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | GLN | 0 | -0.034 | -0.010 | 22.652 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | HIS | 0 | 0.059 | 0.021 | 21.939 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 119 | ALA | 0 | -0.015 | -0.011 | 16.642 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 120 | ALA | 0 | -0.004 | 0.011 | 17.671 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 121 | ILE | 0 | 0.076 | 0.036 | 19.294 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 122 | ALA | 0 | 0.009 | 0.007 | 18.210 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 123 | LEU | 0 | -0.061 | -0.027 | 13.787 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 124 | TYR | 0 | 0.055 | 0.019 | 16.877 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 125 | THR | 0 | -0.002 | -0.008 | 19.856 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 126 | ARG | 1 | 0.773 | 0.869 | 12.093 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 127 | ASN | 0 | -0.087 | -0.044 | 14.649 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 128 | GLY | 0 | 0.039 | 0.014 | 18.470 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 129 | TYR | 0 | -0.044 | -0.026 | 20.243 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 130 | GLN | 0 | -0.020 | -0.013 | 23.922 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 131 | THR | 0 | 0.026 | 0.014 | 27.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 132 | ARG | 1 | 0.778 | 0.878 | 29.400 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 133 | CYS | 0 | -0.015 | -0.017 | 32.609 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 134 | ALA | 0 | 0.057 | 0.026 | 34.550 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 135 | PHE | 0 | -0.036 | -0.010 | 30.350 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 136 | ALA | 0 | 0.026 | 0.047 | 36.150 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 137 | PRO | 0 | -0.019 | -0.018 | 34.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 138 | TYR | 0 | 0.020 | -0.045 | 30.785 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 139 | GLN | 0 | 0.004 | -0.018 | 36.889 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 140 | PRO | 0 | -0.042 | -0.051 | 36.919 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 141 | ASP | -1 | -0.891 | -0.935 | 35.433 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 142 | PRO | 0 | -0.236 | 0.021 | 34.989 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 143 | LEU | 0 | 0.036 | -0.042 | 32.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 144 | SER | 0 | 0.094 | -0.006 | 31.097 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 145 | VAL | 0 | -0.082 | -0.051 | 27.283 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 146 | PHE | 0 | 0.018 | 0.018 | 28.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 147 | MET | 0 | -0.046 | -0.030 | 23.542 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 148 | GLU | -1 | -0.802 | -0.883 | 27.016 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 149 | LYS | 1 | 0.861 | 0.916 | 19.876 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 150 | PRO | 0 | -0.020 | 0.016 | 26.139 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 151 | LEU | 0 | -0.027 | -0.024 | 23.283 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 152 | PHE | 0 | 0.009 | 0.012 | 25.386 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |