![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 14K5Z
Calculation Name: 1ZUP-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1ZUP
Chain ID: A
UniProt ID: Q9X261
Base Structure: X-ray
Registration Date: 2023-06-20
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 303 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4497837.253199 |
---|---|
FMO2-HF: Nuclear repulsion | 4376407.200608 |
FMO2-HF: Total energy | -121430.052591 |
FMO2-MP2: Total energy | -121787.858987 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021728/ligand_interaction/ligand_F021728.png)
Ligand Interaction
![ligand interaction](./Kdata/F021728/ligand_interaction/ligand_interaction_F021728.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:HIS)
Summations of interaction energy for
fragment #1(A:-1:HIS)
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. |
-70.007 | -68.56 | 10.026 | -6.009 | -5.462 | -0.064 |
Interaction energy analysis for fragmet #1(A:-1:HIS)
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 | 0.018 | 0.017 | 1.803 | -34.566 | -34.051 | 9.973 | -5.791 | -4.697 | -0.063 |
4 | A | 2 | GLN | 0 | -0.017 | -0.011 | 3.039 | 3.281 | 4.150 | 0.054 | -0.217 | -0.705 | -0.001 |
5 | A | 3 | VAL | 0 | 0.039 | 0.020 | 5.173 | 1.727 | 1.790 | -0.001 | -0.001 | -0.060 | 0.000 |
6 | A | 4 | ARG | 1 | 0.822 | 0.892 | 8.548 | 23.283 | 23.283 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 5 | ILE | 0 | 0.017 | 0.019 | 10.977 | 0.825 | 0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 6 | GLU | -1 | -0.763 | -0.873 | 14.454 | -18.347 | -18.347 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 7 | ARG | 1 | 0.899 | 0.934 | 17.464 | 13.200 | 13.200 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 8 | ALA | 0 | -0.001 | 0.003 | 18.858 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 9 | GLU | -1 | -0.761 | -0.895 | 20.889 | -11.373 | -11.373 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 10 | ARG | 1 | 0.874 | 0.939 | 23.939 | 10.139 | 10.139 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 11 | ILE | 0 | 0.035 | 0.031 | 23.244 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 12 | GLU | -1 | -0.881 | -0.943 | 27.242 | -9.834 | -9.834 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 13 | SER | 0 | -0.079 | -0.044 | 30.600 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 14 | GLU | -1 | -0.862 | -0.941 | 28.613 | -11.376 | -11.376 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 15 | LEU | 0 | -0.119 | -0.048 | 30.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 16 | GLU | -1 | -0.961 | -0.965 | 26.475 | -11.276 | -11.276 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 17 | GLU | -1 | -0.912 | -0.970 | 30.084 | -9.993 | -9.993 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 18 | HIS | 0 | -0.058 | -0.020 | 25.782 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 19 | VAL | 0 | 0.008 | 0.007 | 23.221 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 20 | GLY | 0 | -0.027 | -0.010 | 22.696 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 21 | ASP | -1 | -0.935 | -0.971 | 18.312 | -16.448 | -16.448 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 22 | GLN | 0 | -0.053 | -0.027 | 19.368 | 1.086 | 1.086 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 23 | THR | 0 | -0.003 | 0.003 | 21.045 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 24 | PHE | 0 | -0.044 | -0.028 | 18.769 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 25 | VAL | 0 | -0.025 | -0.003 | 23.768 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 26 | GLU | -1 | -0.921 | -0.969 | 24.830 | -12.749 | -12.749 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 27 | GLU | -1 | -0.916 | -0.959 | 25.892 | -11.209 | -11.209 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 28 | SER | 0 | -0.082 | -0.082 | 26.531 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 29 | ARG | 1 | 0.874 | 0.936 | 29.041 | 9.471 | 9.471 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 30 | PHE | 0 | 0.039 | 0.008 | 27.628 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 31 | LEU | 0 | -0.025 | 0.001 | 33.101 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 32 | GLU | -1 | -0.852 | -0.928 | 31.867 | -9.776 | -9.776 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 33 | GLU | -1 | -0.871 | -0.934 | 35.623 | -8.027 | -8.027 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 34 | ASP | -1 | -0.774 | -0.863 | 36.343 | -8.287 | -8.287 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 35 | GLU | -1 | -0.930 | -0.977 | 36.259 | -8.513 | -8.513 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 36 | GLN | 0 | -0.065 | -0.014 | 34.501 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 37 | ARG | 1 | 0.880 | 0.948 | 37.179 | 7.783 | 7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 38 | GLU | -1 | -0.911 | -0.964 | 40.282 | -7.872 | -7.872 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 39 | GLY | 0 | 0.046 | 0.030 | 41.564 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 40 | GLU | -1 | -1.008 | -1.011 | 42.968 | -6.437 | -6.437 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 41 | ILE | 0 | -0.090 | -0.049 | 42.684 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 42 | LEU | 0 | 0.008 | 0.006 | 43.514 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 43 | ASP | -1 | -0.830 | -0.933 | 46.840 | -6.258 | -6.258 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 44 | GLN | 0 | -0.064 | -0.046 | 49.332 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 45 | ILE | 0 | -0.040 | -0.015 | 43.085 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 46 | ILE | 0 | -0.011 | 0.013 | 47.124 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 47 | PHE | 0 | 0.000 | -0.008 | 40.710 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 48 | VAL | 0 | 0.000 | -0.008 | 44.105 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 49 | ASP | -1 | -0.788 | -0.908 | 40.197 | -8.082 | -8.082 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 50 | GLY | 0 | 0.016 | 0.000 | 42.143 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 51 | LYS | 1 | 0.939 | 0.991 | 39.205 | 7.748 | 7.748 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 52 | ARG | 1 | 0.943 | 0.975 | 37.236 | 8.313 | 8.313 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 53 | ARG | 1 | 0.864 | 0.932 | 42.057 | 6.810 | 6.810 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 54 | SER | 0 | 0.008 | -0.001 | 41.486 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 55 | PHE | 0 | -0.073 | -0.049 | 43.565 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 56 | VAL | 0 | 0.030 | 0.019 | 45.259 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 57 | ARG | 1 | 0.924 | 0.970 | 39.237 | 7.900 | 7.900 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 58 | ILE | 0 | 0.000 | 0.001 | 44.964 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 59 | THR | 0 | -0.009 | -0.012 | 45.470 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 60 | THR | 0 | 0.004 | 0.018 | 47.692 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 61 | ASP | -1 | -0.879 | -0.956 | 50.218 | -5.995 | -5.995 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 62 | GLU | -1 | -0.930 | -0.953 | 50.900 | -6.134 | -6.134 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 63 | GLY | 0 | -0.036 | -0.022 | 47.604 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 64 | ILE | 0 | -0.037 | -0.004 | 45.880 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 65 | THR | 0 | -0.020 | -0.019 | 41.742 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 66 | GLY | 0 | 0.053 | 0.014 | 44.875 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 67 | ILE | 0 | -0.091 | -0.045 | 41.177 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 68 | PHE | 0 | 0.076 | 0.054 | 45.467 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 69 | ALA | 0 | -0.027 | -0.029 | 44.914 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 70 | GLU | -1 | -0.682 | -0.807 | 46.524 | -6.197 | -6.197 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 71 | LEU | 0 | -0.004 | -0.006 | 44.361 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 72 | CYS | 0 | -0.057 | -0.020 | 46.338 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 73 | VAL | 0 | 0.025 | 0.006 | 45.960 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 74 | GLY | 0 | 0.012 | 0.005 | 47.198 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 75 | ALA | 0 | 0.047 | 0.017 | 47.136 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 76 | VAL | 0 | -0.020 | -0.001 | 45.428 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 77 | ILE | 0 | 0.004 | 0.004 | 48.031 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 78 | TRP | 0 | -0.053 | -0.028 | 45.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 79 | ASP | -1 | -0.828 | -0.922 | 47.998 | -6.006 | -6.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 80 | ARG | 1 | 0.908 | 0.954 | 47.729 | 6.474 | 6.474 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 81 | GLU | -1 | -0.990 | -0.980 | 49.253 | -5.890 | -5.890 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 82 | GLY | 0 | 0.004 | -0.008 | 51.723 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 83 | GLY | 0 | -0.039 | -0.003 | 48.268 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 84 | THR | 0 | -0.002 | -0.025 | 45.516 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 85 | LYS | 1 | 0.930 | 0.977 | 48.618 | 6.087 | 6.087 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 86 | THR | 0 | 0.020 | 0.003 | 49.398 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 87 | LEU | 0 | -0.089 | -0.033 | 51.299 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 88 | PHE | 0 | 0.008 | -0.011 | 48.871 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 89 | SER | 0 | -0.011 | 0.008 | 54.570 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 90 | PRO | 0 | -0.017 | -0.014 | 55.895 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 91 | ASP | -1 | -0.881 | -0.931 | 57.536 | -5.306 | -5.306 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 92 | LYS | 1 | 0.895 | 0.949 | 58.821 | 5.263 | 5.263 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 93 | PRO | 0 | 0.025 | 0.023 | 55.597 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 94 | PRO | 0 | 0.016 | 0.024 | 51.029 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 95 | VAL | 0 | 0.025 | 0.010 | 51.433 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 96 | LYS | 1 | 0.846 | 0.918 | 51.034 | 5.950 | 5.950 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 97 | GLU | -1 | -0.827 | -0.852 | 50.774 | -5.914 | -5.914 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 98 | ARG | 1 | 0.847 | 0.920 | 50.222 | 5.807 | 5.807 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 99 | VAL | 0 | -0.026 | -0.004 | 47.066 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 100 | LEU | 0 | 0.016 | 0.004 | 48.803 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 101 | GLY | 0 | -0.003 | 0.004 | 45.705 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 102 | PHE | 0 | 0.051 | 0.019 | 46.061 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 103 | SER | 0 | 0.019 | 0.037 | 43.579 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 104 | GLN | 0 | -0.053 | -0.067 | 43.622 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 105 | SER | 0 | -0.036 | -0.027 | 46.201 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 106 | PHE | 0 | 0.003 | 0.023 | 48.180 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 107 | GLN | 0 | 0.006 | -0.009 | 50.466 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 108 | GLU | -1 | -0.882 | -0.912 | 53.826 | -5.712 | -5.712 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 109 | GLU | -1 | -0.981 | -1.011 | 54.206 | -5.677 | -5.677 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 110 | GLY | 0 | -0.001 | 0.008 | 55.891 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 111 | TYR | 0 | -0.056 | -0.052 | 56.028 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 112 | GLU | -1 | -0.851 | -0.920 | 54.575 | -5.858 | -5.858 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 113 | GLU | -1 | -0.932 | -0.967 | 56.828 | -5.262 | -5.262 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 114 | VAL | 0 | 0.056 | 0.033 | 54.777 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 115 | GLY | 0 | 0.009 | -0.001 | 57.840 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 116 | GLY | 0 | -0.023 | -0.015 | 59.808 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 117 | ILE | 0 | -0.087 | -0.037 | 55.204 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 118 | LEU | 0 | 0.012 | 0.004 | 57.599 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 119 | PHE | 0 | -0.038 | -0.025 | 51.239 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 120 | LYS | 1 | 0.925 | 0.976 | 52.536 | 6.051 | 6.051 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 121 | VAL | 0 | 0.035 | 0.020 | 51.261 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 122 | VAL | 0 | -0.063 | -0.025 | 46.833 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 123 | LYS | 1 | 0.882 | 0.930 | 47.026 | 6.279 | 6.279 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 124 | GLU | -1 | -0.876 | -0.930 | 45.788 | -6.557 | -6.557 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 125 | GLY | 0 | 0.003 | 0.017 | 42.307 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 126 | LYS | 1 | 0.945 | 0.950 | 36.776 | 8.487 | 8.487 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 127 | ASP | -1 | -0.841 | -0.918 | 37.265 | -8.337 | -8.337 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 128 | ALA | 0 | 0.041 | 0.020 | 40.771 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 129 | MET | 0 | -0.018 | -0.017 | 38.070 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 130 | GLN | 0 | 0.066 | 0.054 | 36.994 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 131 | SER | 0 | -0.030 | -0.058 | 39.828 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 132 | ILE | 0 | -0.012 | 0.001 | 42.408 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 133 | ASP | -1 | -0.912 | -0.954 | 37.756 | -8.176 | -8.176 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 134 | LEU | 0 | -0.049 | -0.033 | 41.139 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 135 | TYR | 0 | -0.029 | -0.075 | 43.105 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 136 | MET | 0 | 0.022 | 0.047 | 40.550 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 137 | ARG | 1 | 0.892 | 0.961 | 40.686 | 7.438 | 7.438 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 138 | SER | 0 | -0.074 | -0.072 | 43.777 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 139 | LEU | 0 | 0.011 | -0.001 | 47.287 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 140 | GLU | -1 | -0.883 | -0.954 | 42.307 | -7.452 | -7.452 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 141 | ILE | 0 | -0.055 | -0.033 | 44.748 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 142 | GLU | -1 | -0.934 | -0.968 | 47.783 | -5.789 | -5.789 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 143 | GLU | -1 | -0.882 | -0.934 | 48.659 | -6.067 | -6.067 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 144 | VAL | 0 | -0.004 | -0.015 | 46.208 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 145 | ARG | 1 | 0.931 | 0.956 | 49.455 | 6.233 | 6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 146 | LYS | 1 | 0.905 | 0.966 | 52.681 | 5.946 | 5.946 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 147 | HIS | 0 | 0.021 | 0.015 | 50.835 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 148 | MET | 0 | -0.033 | -0.006 | 50.325 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 149 | ASP | -1 | -0.911 | -0.950 | 53.475 | -5.557 | -5.557 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 150 | LYS | 1 | 0.810 | 0.882 | 54.382 | 5.871 | 5.871 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 151 | ASN | 0 | -0.028 | -0.001 | 54.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 152 | ILE | 0 | 0.018 | 0.014 | 49.815 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 153 | LEU | 0 | -0.002 | 0.007 | 43.709 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 154 | ILE | 0 | -0.011 | -0.006 | 45.950 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 155 | VAL | 0 | -0.038 | -0.019 | 40.231 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 156 | LYS | 1 | 0.839 | 0.907 | 40.170 | 7.845 | 7.845 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 157 | ASP | -1 | -0.810 | -0.898 | 37.660 | -8.696 | -8.696 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 158 | GLY | 0 | 0.030 | 0.017 | 36.101 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 159 | PRO | 0 | -0.066 | -0.053 | 35.162 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 160 | ALA | 0 | 0.015 | 0.019 | 37.251 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 161 | ALA | 0 | 0.014 | 0.002 | 39.901 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 162 | ARG | 1 | 0.962 | 0.982 | 40.808 | 7.512 | 7.512 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 163 | GLU | -1 | -0.875 | -0.949 | 44.363 | -6.902 | -6.902 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 164 | LEU | 0 | -0.064 | -0.044 | 46.341 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 165 | PRO | 0 | -0.066 | -0.035 | 46.135 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 166 | PHE | 0 | 0.015 | 0.012 | 44.826 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 167 | GLU | -1 | -0.903 | -0.953 | 46.833 | -5.925 | -5.925 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 168 | GLU | -1 | -0.954 | -0.994 | 49.324 | -6.032 | -6.032 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 169 | ASN | 0 | -0.021 | -0.012 | 49.469 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 170 | VAL | 0 | 0.028 | 0.027 | 49.430 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 171 | GLY | 0 | 0.000 | 0.019 | 45.834 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 172 | PRO | 0 | 0.035 | 0.008 | 44.590 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 173 | ILE | 0 | -0.062 | -0.043 | 39.376 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 174 | GLY | 0 | 0.017 | 0.032 | 38.809 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 175 | LEU | 0 | 0.023 | 0.004 | 34.623 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 176 | VAL | 0 | -0.041 | -0.011 | 30.796 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 177 | LYS | 1 | 0.908 | 0.923 | 30.654 | 8.741 | 8.741 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 178 | ASN | 0 | -0.013 | -0.004 | 28.281 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 179 | ILE | 0 | -0.014 | -0.016 | 24.393 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 180 | GLY | 0 | 0.039 | 0.021 | 24.407 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 181 | VAL | 0 | 0.045 | 0.023 | 24.592 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 182 | THR | 0 | -0.028 | -0.020 | 22.892 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 183 | GLU | -1 | -0.852 | -0.903 | 26.326 | -9.362 | -9.362 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 184 | LEU | 0 | 0.013 | 0.013 | 25.184 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 185 | SER | 0 | 0.092 | 0.061 | 23.283 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 186 | LYS | 1 | 0.948 | 0.967 | 14.228 | 19.060 | 19.060 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 187 | GLU | -1 | -0.942 | -0.973 | 17.807 | -16.955 | -16.955 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 188 | ASP | -1 | -0.769 | -0.852 | 19.969 | -12.133 | -12.133 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 189 | PHE | 0 | -0.017 | -0.009 | 20.047 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 190 | LYS | 1 | 0.920 | 0.940 | 13.250 | 20.118 | 20.118 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 191 | LYS | 1 | 0.959 | 0.981 | 19.242 | 12.800 | 12.800 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 192 | LEU | 0 | 0.029 | 0.023 | 21.741 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 193 | ARG | 1 | 0.827 | 0.944 | 17.069 | 17.274 | 17.274 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 194 | PHE | 0 | -0.017 | -0.013 | 17.304 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 195 | LEU | 0 | -0.014 | 0.021 | 22.985 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 196 | LYS | 1 | 0.821 | 0.878 | 24.314 | 12.288 | 12.288 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 197 | LYS | 1 | 0.949 | 0.972 | 28.595 | 9.570 | 9.570 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 198 | GLY | 0 | 0.021 | 0.008 | 31.203 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 199 | LYS | 1 | 0.847 | 0.939 | 30.366 | 9.369 | 9.369 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 200 | ARG | 1 | 0.784 | 0.860 | 31.443 | 8.362 | 8.362 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 201 | SER | 0 | -0.046 | -0.026 | 29.042 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 202 | LYS | 1 | 0.811 | 0.894 | 30.734 | 9.580 | 9.580 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 203 | MET | 0 | -0.003 | 0.008 | 32.578 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 204 | PHE | 0 | -0.033 | 0.001 | 30.846 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 205 | VAL | 0 | 0.018 | 0.010 | 34.093 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 206 | SER | 0 | 0.019 | 0.012 | 34.684 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 207 | SER | 0 | -0.041 | -0.039 | 35.558 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 208 | ARG | 1 | 0.892 | 0.928 | 34.418 | 8.822 | 8.822 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 209 | GLU | -1 | -0.842 | -0.878 | 39.576 | -6.835 | -6.835 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 210 | THR | 0 | 0.002 | -0.021 | 43.003 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 211 | PRO | 0 | 0.014 | 0.010 | 45.808 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 212 | LEU | 0 | -0.040 | -0.030 | 44.380 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 213 | LYS | 1 | 0.801 | 0.921 | 40.710 | 7.176 | 7.176 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 214 | LYS | 1 | 0.826 | 0.891 | 34.116 | 9.075 | 9.075 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 215 | VAL | 0 | 0.001 | 0.001 | 37.457 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 216 | GLY | 0 | 0.046 | 0.013 | 34.576 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 217 | ALA | 0 | 0.030 | 0.014 | 32.717 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 218 | TYR | 0 | -0.028 | -0.032 | 27.578 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 219 | VAL | 0 | 0.052 | 0.027 | 30.487 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 220 | LYS | 1 | 0.829 | 0.943 | 24.112 | 12.184 | 12.184 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 221 | LEU | 0 | 0.005 | -0.014 | 29.655 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 222 | ILE | 0 | 0.010 | 0.014 | 27.012 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 223 | ASP | -1 | -0.879 | -0.947 | 28.449 | -10.350 | -10.350 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 224 | GLY | 0 | 0.046 | 0.020 | 24.329 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 225 | GLU | -1 | -0.877 | -0.933 | 20.202 | -13.172 | -13.172 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 226 | GLY | 0 | 0.030 | 0.021 | 19.596 | -0.948 | -0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 227 | ILE | 0 | -0.012 | -0.023 | 20.180 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 228 | ARG | 1 | 0.777 | 0.888 | 22.629 | 12.496 | 12.496 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 229 | GLY | 0 | 0.062 | 0.024 | 25.083 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 230 | LEU | 0 | -0.053 | -0.006 | 24.006 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 231 | VAL | 0 | 0.007 | 0.016 | 27.616 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 232 | ARG | 1 | 0.842 | 0.914 | 29.164 | 9.968 | 9.968 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 233 | LEU | 0 | 0.001 | 0.019 | 31.992 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 234 | GLU | -1 | -0.790 | -0.914 | 34.603 | -9.055 | -9.055 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 235 | THR | 0 | 0.012 | -0.008 | 37.443 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 236 | TYR | 0 | -0.008 | 0.011 | 39.227 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 237 | VAL | 0 | 0.019 | 0.030 | 42.850 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 238 | LYS | 1 | 0.919 | 0.964 | 44.991 | 6.086 | 6.086 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 239 | ASP | -1 | -0.858 | -0.914 | 48.244 | -6.228 | -6.228 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 240 | ASP | -1 | -0.785 | -0.897 | 44.295 | -7.270 | -7.270 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 241 | ASN | 0 | -0.074 | -0.046 | 46.655 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 242 | GLN | 0 | 0.032 | -0.005 | 47.262 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 243 | ILE | 0 | -0.017 | 0.000 | 41.516 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 244 | PRO | 0 | -0.046 | -0.033 | 43.881 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 245 | TYR | 0 | 0.052 | 0.027 | 45.630 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 246 | ILE | 0 | 0.007 | 0.011 | 40.865 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 247 | ARG | 1 | 0.904 | 0.942 | 40.144 | 7.472 | 7.472 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 248 | LYS | 1 | 0.963 | 0.993 | 41.475 | 6.498 | 6.498 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 249 | VAL | 0 | 0.057 | 0.034 | 42.088 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 250 | PHE | 0 | -0.034 | -0.035 | 37.402 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 251 | ASP | -1 | -0.760 | -0.885 | 38.599 | -8.153 | -8.153 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 252 | ASP | -1 | -0.801 | -0.904 | 40.070 | -7.145 | -7.145 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 253 | LEU | 0 | -0.026 | 0.000 | 38.817 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 254 | ALA | 0 | -0.039 | -0.016 | 35.777 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 255 | LYS | 1 | 0.846 | 0.948 | 36.726 | 7.511 | 7.511 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 256 | THR | 0 | 0.014 | -0.027 | 39.287 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 257 | LEU | 0 | -0.005 | -0.010 | 36.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 258 | PRO | 0 | 0.008 | 0.005 | 34.673 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 259 | HIS | 0 | -0.083 | -0.026 | 36.233 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 260 | LEU | 0 | -0.026 | 0.010 | 38.781 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 261 | THR | 0 | -0.041 | -0.022 | 33.978 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 262 | ALA | 0 | 0.011 | -0.001 | 35.349 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 263 | ASP | -1 | -0.923 | -0.964 | 29.157 | -11.098 | -11.098 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 264 | LEU | 0 | -0.007 | -0.016 | 31.794 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 265 | PRO | 0 | -0.022 | 0.013 | 30.842 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 266 | ILE | 0 | 0.081 | 0.015 | 24.682 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 267 | PRO | 0 | -0.050 | -0.040 | 27.780 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 268 | ARG | 1 | 0.850 | 0.909 | 30.106 | 8.987 | 8.987 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 269 | LEU | 0 | -0.034 | 0.001 | 24.597 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 270 | PRO | 0 | -0.013 | 0.001 | 27.149 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 271 | GLU | -1 | -0.770 | -0.859 | 29.402 | -9.704 | -9.704 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 272 | ASN | 0 | 0.010 | 0.021 | 32.109 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 273 | ILE | 0 | 0.006 | 0.011 | 34.791 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 274 | LEU | 0 | -0.001 | -0.014 | 36.850 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 275 | PRO | 0 | -0.004 | -0.009 | 39.983 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 276 | ILE | 0 | 0.043 | 0.033 | 38.172 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 277 | GLN | 0 | 0.022 | 0.017 | 37.868 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 278 | PHE | 0 | -0.011 | -0.007 | 40.236 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 279 | LEU | 0 | 0.003 | 0.021 | 43.368 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 280 | GLU | -1 | -0.902 | -0.958 | 38.426 | -8.158 | -8.158 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 281 | GLU | -1 | -0.948 | -0.970 | 41.924 | -7.491 | -7.491 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 282 | ASN | 0 | -0.039 | -0.003 | 44.091 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 283 | LEU | 0 | -0.005 | -0.003 | 44.499 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 284 | SER | 0 | -0.149 | -0.121 | 44.249 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 285 | TYR | 0 | 0.001 | 0.013 | 46.151 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 286 | TYR | 0 | 0.009 | -0.003 | 49.509 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 287 | LEU | 0 | -0.057 | -0.020 | 45.109 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 288 | THR | 0 | -0.105 | -0.078 | 49.460 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 289 | ASP | -1 | -0.848 | -0.922 | 49.317 | -6.529 | -6.529 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 290 | LYS | 1 | 0.995 | 0.979 | 41.344 | 7.646 | 7.646 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 291 | ASN | 0 | -0.022 | 0.014 | 48.360 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 292 | TYR | 0 | 0.047 | 0.021 | 50.277 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 293 | MET | 0 | -0.008 | 0.003 | 50.255 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 294 | ASN | 0 | 0.028 | -0.004 | 45.985 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 295 | THR | 0 | -0.018 | -0.001 | 50.447 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 296 | ARG | 1 | 0.871 | 0.941 | 53.402 | 5.479 | 5.479 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 297 | LEU | 0 | -0.010 | -0.014 | 50.381 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 298 | PHE | 0 | -0.009 | -0.021 | 47.108 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 299 | ALA | 0 | -0.069 | -0.020 | 53.198 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 300 | TYR | 0 | -0.029 | -0.023 | 56.747 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 301 | ILE | 0 | -0.020 | 0.016 | 51.408 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |