FMODB ID: LZ779
Calculation Name: 3MVB-O-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3MVB
Chain ID: O
UniProt ID: Q99551
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 | 324 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4650076.671384 |
---|---|
FMO2-HF: Nuclear repulsion | 4520686.853086 |
FMO2-HF: Total energy | -129389.818298 |
FMO2-MP2: Total energy | -129766.980985 |
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(O:73:GLU)
Summations of interaction energy for
fragment #1(O:73:GLU)
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. |
-167.432 | -162.625 | 0.18 | -1.994 | -2.995 | 0.003 |
Interaction energy analysis for fragmet #1(O:73:GLU)
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 | O | 75 | LEU | 0 | 0.023 | 0.017 | 2.872 | -11.782 | -8.726 | 0.107 | -1.464 | -1.700 | 0.007 |
4 | O | 76 | LEU | 0 | -0.003 | -0.013 | 4.656 | -5.807 | -5.557 | -0.001 | -0.029 | -0.221 | 0.000 |
5 | O | 77 | LYS | 1 | 0.877 | 0.918 | 6.949 | -37.797 | -37.797 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | O | 78 | ASN | 0 | -0.022 | -0.009 | 5.888 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | O | 79 | LEU | 0 | 0.033 | 0.010 | 8.530 | -2.893 | -2.893 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | O | 80 | LEU | 0 | 0.057 | 0.040 | 10.686 | -1.922 | -1.922 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | O | 81 | THR | 0 | -0.074 | -0.039 | 12.154 | -1.425 | -1.425 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | O | 82 | MET | 0 | -0.132 | -0.071 | 10.715 | -1.189 | -1.189 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | O | 83 | GLY | 0 | 0.012 | 0.015 | 15.358 | -1.064 | -1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | O | 84 | VAL | 0 | -0.063 | -0.031 | 13.086 | -0.724 | -0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | O | 85 | ASP | -1 | -0.763 | -0.881 | 15.515 | 14.542 | 14.542 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | O | 86 | ILE | 0 | -0.001 | -0.013 | 10.743 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | O | 87 | ASP | -1 | -0.846 | -0.911 | 13.749 | 17.324 | 17.324 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | O | 88 | MET | 0 | -0.035 | -0.027 | 15.752 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | O | 89 | ALA | 0 | -0.005 | 0.002 | 13.616 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | O | 90 | ARG | 1 | 0.915 | 0.960 | 7.738 | -24.299 | -24.299 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | O | 91 | LYS | 1 | 0.948 | 0.977 | 13.732 | -12.496 | -12.496 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | O | 92 | ARG | 1 | 0.781 | 0.890 | 17.111 | -14.347 | -14.347 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | O | 93 | GLN | 0 | -0.010 | -0.017 | 14.639 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | O | 94 | PRO | 0 | 0.057 | 0.035 | 13.056 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | O | 95 | GLY | 0 | 0.005 | -0.003 | 11.159 | 1.350 | 1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | O | 96 | VAL | 0 | -0.052 | -0.026 | 9.581 | 1.034 | 1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | O | 97 | PHE | 0 | -0.012 | -0.014 | 7.035 | 2.103 | 2.103 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | O | 98 | HIS | 0 | 0.015 | 0.011 | 6.861 | 2.722 | 2.722 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | O | 99 | ARG | 1 | 0.827 | 0.917 | 6.460 | -27.500 | -27.500 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | O | 100 | MET | 0 | 0.041 | 0.018 | 3.602 | 2.484 | 2.825 | 0.001 | -0.049 | -0.293 | 0.000 |
29 | O | 101 | ILE | 0 | 0.066 | 0.045 | 3.279 | 4.683 | 5.843 | 0.073 | -0.452 | -0.781 | -0.004 |
30 | O | 102 | THR | 0 | -0.070 | -0.048 | 5.312 | -4.094 | -4.094 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | O | 103 | ASN | 0 | 0.042 | 0.021 | 6.862 | 3.667 | 3.667 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | O | 104 | GLU | -1 | -0.803 | -0.897 | 6.863 | 31.453 | 31.453 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | O | 105 | GLN | 0 | -0.004 | -0.010 | 7.682 | -4.528 | -4.528 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | O | 106 | ASP | -1 | -0.813 | -0.926 | 11.273 | 19.677 | 19.677 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | O | 107 | LEU | 0 | -0.083 | -0.041 | 13.080 | -1.755 | -1.755 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | O | 108 | LYS | 1 | 0.960 | 0.975 | 13.941 | -20.624 | -20.624 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | O | 109 | MET | 0 | 0.032 | 0.016 | 15.337 | -1.122 | -1.122 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | O | 110 | PHE | 0 | 0.000 | 0.000 | 17.366 | -1.105 | -1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | O | 111 | LEU | 0 | -0.005 | -0.003 | 17.846 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | O | 112 | LEU | 0 | -0.013 | 0.000 | 18.847 | -0.656 | -0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | O | 113 | SER | 0 | -0.100 | -0.052 | 21.599 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | O | 114 | LYS | 1 | 0.852 | 0.921 | 23.588 | -12.177 | -12.177 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | O | 115 | GLY | 0 | 0.028 | 0.012 | 25.070 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | O | 116 | ALA | 0 | -0.036 | -0.007 | 22.125 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | O | 117 | SER | 0 | 0.058 | 0.024 | 23.178 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | O | 118 | LYS | 1 | 0.899 | 0.914 | 19.023 | -12.926 | -12.926 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | O | 119 | GLU | -1 | -0.777 | -0.867 | 19.745 | 13.267 | 13.267 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | O | 120 | VAL | 0 | 0.027 | 0.023 | 21.481 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | O | 121 | ILE | 0 | -0.014 | -0.008 | 16.423 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | O | 122 | ALA | 0 | 0.036 | 0.022 | 16.671 | 0.632 | 0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | O | 123 | SER | 0 | 0.035 | 0.038 | 17.756 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | O | 124 | ILE | 0 | -0.017 | -0.007 | 17.880 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | O | 125 | ILE | 0 | -0.003 | -0.004 | 12.608 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | O | 126 | SER | 0 | -0.018 | -0.025 | 15.324 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | O | 127 | ARG | 1 | 0.759 | 0.863 | 17.009 | -12.320 | -12.320 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | O | 128 | TYR | 0 | -0.022 | -0.005 | 17.904 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | O | 129 | PRO | 0 | 0.080 | 0.053 | 12.463 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | O | 130 | ARG | 1 | 0.957 | 0.971 | 12.770 | -14.748 | -14.748 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | O | 131 | ALA | 0 | 0.006 | 0.018 | 14.236 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | O | 132 | ILE | 0 | -0.002 | 0.005 | 8.250 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | O | 133 | THR | 0 | -0.067 | -0.045 | 10.437 | 1.321 | 1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | O | 134 | ARG | 1 | 0.796 | 0.910 | 12.326 | -17.301 | -17.301 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | O | 135 | THR | 0 | 0.064 | 0.001 | 13.908 | 1.232 | 1.232 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | O | 136 | PRO | 0 | 0.054 | 0.025 | 15.348 | -1.217 | -1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | O | 137 | GLU | -1 | -0.799 | -0.847 | 18.502 | 14.903 | 14.903 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | O | 138 | ASN | 0 | -0.011 | -0.024 | 19.313 | -1.403 | -1.403 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | O | 139 | LEU | 0 | -0.047 | -0.011 | 16.343 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | O | 140 | SER | 0 | 0.052 | 0.000 | 20.715 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | O | 141 | LYS | 1 | 0.877 | 0.948 | 23.824 | -11.090 | -11.090 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | O | 142 | ARG | 1 | 0.796 | 0.891 | 22.586 | -12.462 | -12.462 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | O | 143 | TRP | 0 | -0.013 | -0.018 | 23.038 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | O | 144 | ASP | -1 | -0.799 | -0.901 | 26.209 | 10.778 | 10.778 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | O | 145 | LEU | 0 | -0.076 | -0.040 | 27.813 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | O | 146 | TRP | 0 | 0.032 | 0.014 | 27.305 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | O | 147 | ARG | 1 | 0.834 | 0.935 | 30.181 | -9.900 | -9.900 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | O | 148 | LYS | 1 | 0.873 | 0.946 | 32.581 | -9.168 | -9.168 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | O | 149 | ILE | 0 | -0.030 | -0.006 | 33.967 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | O | 150 | VAL | 0 | 0.046 | 0.026 | 32.140 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | O | 151 | THR | 0 | -0.056 | -0.054 | 34.981 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | O | 152 | SER | 0 | -0.056 | -0.060 | 33.768 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | O | 153 | ASP | -1 | -0.756 | -0.887 | 28.305 | 10.410 | 10.410 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | O | 154 | LEU | 0 | 0.059 | 0.038 | 28.958 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | O | 155 | GLU | -1 | -0.752 | -0.823 | 30.644 | 8.645 | 8.645 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | O | 156 | ILE | 0 | -0.016 | 0.003 | 26.238 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | O | 157 | VAL | 0 | 0.013 | 0.007 | 25.401 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | O | 158 | ASN | 0 | 0.021 | 0.009 | 26.678 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | O | 159 | ILE | 0 | -0.011 | -0.003 | 28.518 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | O | 160 | LEU | 0 | -0.055 | -0.029 | 22.428 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | O | 161 | GLU | -1 | -0.921 | -0.955 | 24.243 | 11.439 | 11.439 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | O | 162 | ALA | 0 | 0.028 | 0.016 | 25.681 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | O | 163 | SER | 0 | -0.034 | -0.019 | 26.656 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | O | 164 | PRO | 0 | 0.047 | 0.034 | 21.031 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | O | 165 | GLU | -1 | -0.797 | -0.871 | 22.075 | 11.739 | 11.739 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | O | 166 | SER | 0 | -0.040 | -0.019 | 23.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | O | 167 | PHE | 0 | 0.050 | 0.029 | 21.032 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | O | 168 | PHE | 0 | 0.061 | 0.022 | 18.059 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | O | 169 | ARG | 1 | 0.812 | 0.901 | 19.275 | -10.822 | -10.822 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | O | 170 | SER | 0 | -0.016 | -0.012 | 21.439 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | O | 171 | ASN | 0 | 0.069 | 0.019 | 19.494 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | O | 172 | ASN | 0 | 0.026 | 0.032 | 21.613 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | O | 173 | ASN | 0 | 0.053 | -0.001 | 22.753 | -0.770 | -0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | O | 174 | LEU | 0 | 0.054 | 0.044 | 26.544 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | O | 175 | ASN | 0 | 0.024 | 0.010 | 28.815 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | O | 176 | LEU | 0 | -0.002 | 0.012 | 27.637 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | O | 177 | GLU | -1 | -0.826 | -0.900 | 30.147 | 9.189 | 9.189 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | O | 178 | ASN | 0 | 0.046 | 0.008 | 32.399 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | O | 179 | ASN | 0 | 0.017 | 0.028 | 32.118 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | O | 180 | ILE | 0 | 0.009 | 0.006 | 31.970 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | O | 181 | LYS | 1 | 0.821 | 0.894 | 35.310 | -8.920 | -8.920 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | O | 182 | PHE | 0 | 0.032 | 0.025 | 37.962 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | O | 183 | LEU | 0 | 0.041 | 0.026 | 36.299 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | O | 184 | TYR | 0 | -0.023 | -0.025 | 38.192 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | O | 185 | SER | 0 | -0.078 | -0.044 | 42.013 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | O | 186 | VAL | 0 | -0.012 | 0.002 | 42.594 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | O | 187 | GLY | 0 | 0.031 | 0.025 | 45.064 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | O | 188 | LEU | 0 | -0.018 | -0.005 | 41.212 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | O | 189 | THR | 0 | 0.044 | 0.010 | 43.933 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | O | 190 | ARG | 1 | 0.917 | 0.950 | 36.587 | -8.097 | -8.097 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | O | 191 | LYS | 1 | 0.973 | 0.982 | 40.429 | -6.431 | -6.431 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | O | 192 | CYS | 0 | 0.021 | 0.023 | 41.660 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | O | 193 | LEU | 0 | 0.033 | 0.022 | 37.608 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | O | 194 | CYS | 0 | 0.019 | 0.003 | 36.832 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | O | 195 | ARG | 1 | 0.832 | 0.928 | 37.178 | -6.792 | -6.792 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | O | 196 | LEU | 0 | 0.052 | 0.029 | 36.665 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | O | 197 | LEU | 0 | -0.048 | -0.027 | 30.535 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | O | 198 | THR | 0 | -0.017 | -0.021 | 32.725 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | O | 199 | ASN | 0 | -0.078 | -0.051 | 34.416 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | O | 200 | ALA | 0 | 0.030 | 0.037 | 34.470 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | O | 201 | PRO | 0 | 0.055 | 0.041 | 29.595 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | O | 202 | ARG | 1 | 0.846 | 0.910 | 26.734 | -10.271 | -10.271 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | O | 203 | THR | 0 | 0.101 | 0.046 | 30.256 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | O | 204 | PHE | 0 | -0.005 | -0.006 | 30.348 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | O | 205 | SER | 0 | -0.128 | -0.086 | 26.179 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | O | 206 | ASN | 0 | -0.011 | -0.008 | 27.871 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | O | 207 | SER | 0 | -0.003 | -0.001 | 30.518 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | O | 208 | LEU | 0 | 0.016 | -0.010 | 31.455 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | O | 209 | ASP | -1 | -0.836 | -0.913 | 34.525 | 8.336 | 8.336 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | O | 210 | LEU | 0 | -0.026 | 0.004 | 32.573 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | O | 211 | ASN | 0 | 0.004 | -0.019 | 34.291 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | O | 212 | LYS | 1 | 0.849 | 0.928 | 37.262 | -8.062 | -8.062 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | O | 213 | GLN | 0 | 0.058 | 0.050 | 38.563 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | O | 214 | MET | 0 | -0.022 | 0.004 | 39.599 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | O | 215 | VAL | 0 | 0.004 | -0.001 | 41.263 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | O | 216 | GLU | -1 | -0.893 | -0.961 | 42.770 | 7.045 | 7.045 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | O | 217 | PHE | 0 | -0.017 | -0.012 | 44.140 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | O | 218 | LEU | 0 | -0.001 | -0.006 | 43.936 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | O | 219 | GLN | 0 | -0.001 | -0.013 | 46.885 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | O | 220 | ALA | 0 | 0.012 | 0.005 | 48.972 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | O | 221 | ALA | 0 | -0.038 | -0.011 | 49.623 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | O | 222 | GLY | 0 | 0.008 | -0.003 | 51.313 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | O | 223 | LEU | 0 | 0.010 | -0.005 | 53.220 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | O | 224 | SER | 0 | -0.102 | -0.045 | 53.640 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | O | 225 | LEU | 0 | -0.074 | -0.036 | 54.062 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | O | 226 | GLY | 0 | 0.023 | 0.021 | 57.583 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | O | 227 | HIS | 0 | -0.051 | -0.021 | 55.657 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | O | 228 | ASN | 0 | -0.009 | -0.011 | 57.528 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | O | 229 | ASP | -1 | -0.788 | -0.904 | 55.416 | 5.622 | 5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | O | 230 | PRO | 0 | 0.033 | 0.009 | 51.547 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | O | 231 | ALA | 0 | 0.013 | 0.010 | 50.054 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | O | 232 | ASP | -1 | -0.845 | -0.901 | 50.423 | 5.859 | 5.859 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | O | 233 | PHE | 0 | -0.004 | 0.010 | 49.766 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | O | 234 | VAL | 0 | 0.032 | 0.006 | 45.324 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | O | 235 | ARG | 1 | 0.832 | 0.904 | 46.555 | -6.088 | -6.088 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | O | 236 | LYS | 1 | 0.836 | 0.925 | 47.615 | -5.596 | -5.596 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | O | 237 | ILE | 0 | 0.054 | 0.032 | 45.823 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | O | 238 | ILE | 0 | -0.014 | -0.002 | 41.737 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | O | 239 | PHE | 0 | -0.049 | -0.018 | 43.578 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | O | 240 | LYS | 1 | 0.821 | 0.908 | 45.527 | -6.430 | -6.430 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | O | 241 | ASN | 0 | -0.027 | -0.034 | 42.145 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | O | 242 | PRO | 0 | -0.009 | -0.014 | 39.265 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | O | 243 | ALA | 0 | 0.009 | 0.004 | 37.715 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | O | 244 | ILE | 0 | 0.070 | 0.043 | 38.277 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | O | 245 | LEU | 0 | -0.026 | -0.019 | 37.472 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | O | 246 | ILE | 0 | -0.099 | -0.047 | 33.497 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | O | 247 | GLN | 0 | -0.031 | -0.008 | 35.112 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | O | 248 | SER | 0 | -0.020 | -0.018 | 36.829 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | O | 249 | THR | 0 | 0.074 | 0.010 | 38.321 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | O | 250 | LYS | 1 | 0.909 | 0.966 | 40.470 | -7.274 | -7.274 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | O | 251 | ARG | 1 | 0.816 | 0.911 | 36.527 | -7.925 | -7.925 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | O | 252 | VAL | 0 | 0.070 | 0.035 | 41.871 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | O | 253 | LYS | 1 | 0.942 | 0.980 | 44.416 | -6.580 | -6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | O | 254 | ALA | 0 | 0.031 | 0.022 | 45.499 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | O | 255 | ASN | 0 | -0.056 | -0.034 | 44.186 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | O | 256 | ILE | 0 | 0.032 | 0.017 | 48.082 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | O | 257 | GLU | -1 | -0.936 | -0.981 | 49.667 | 5.972 | 5.972 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | O | 258 | PHE | 0 | 0.001 | 0.012 | 50.405 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | O | 259 | LEU | 0 | 0.017 | 0.015 | 50.921 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | O | 260 | ARG | 1 | 0.981 | 0.984 | 53.659 | -5.707 | -5.707 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | O | 261 | SER | 0 | -0.041 | -0.034 | 55.213 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | O | 262 | THR | 0 | -0.088 | -0.053 | 54.773 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | O | 263 | PHE | 0 | -0.015 | -0.008 | 54.905 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | O | 264 | ASN | 0 | -0.045 | -0.011 | 59.802 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | O | 265 | LEU | 0 | -0.016 | 0.013 | 57.693 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | O | 266 | ASN | 0 | -0.004 | -0.031 | 60.108 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | O | 267 | SER | 0 | 0.020 | 0.002 | 59.194 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | O | 268 | GLU | -1 | -0.830 | -0.927 | 58.538 | 5.328 | 5.328 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | O | 269 | GLU | -1 | -0.859 | -0.916 | 59.104 | 4.980 | 4.980 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | O | 270 | LEU | 0 | -0.013 | -0.005 | 54.215 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | O | 271 | LEU | 0 | 0.012 | 0.014 | 54.647 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | O | 272 | VAL | 0 | 0.029 | 0.010 | 54.443 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | O | 273 | LEU | 0 | -0.018 | -0.007 | 53.609 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | O | 274 | ILE | 0 | -0.022 | -0.018 | 49.486 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | O | 275 | CYS | 0 | -0.090 | -0.050 | 50.171 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | O | 276 | GLY | 0 | -0.026 | -0.024 | 51.516 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | O | 277 | PRO | 0 | -0.037 | -0.021 | 51.186 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | O | 278 | GLY | 0 | 0.098 | 0.051 | 50.837 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | O | 279 | ALA | 0 | -0.029 | 0.002 | 47.572 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | O | 280 | GLU | -1 | -0.775 | -0.886 | 44.560 | 6.858 | 6.858 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | O | 281 | ILE | 0 | -0.017 | -0.008 | 44.721 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | O | 282 | LEU | 0 | -0.001 | -0.001 | 45.500 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | O | 283 | ASP | -1 | -0.754 | -0.862 | 40.054 | 7.557 | 7.557 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | O | 284 | LEU | 0 | -0.031 | 0.022 | 40.750 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | O | 285 | SER | 0 | 0.001 | -0.004 | 39.329 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | O | 286 | ASN | 0 | 0.035 | -0.011 | 40.991 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | O | 287 | ASP | -1 | -0.821 | -0.883 | 42.876 | 6.432 | 6.432 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | O | 288 | ALA | 0 | -0.027 | 0.006 | 43.298 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | O | 289 | ALA | 0 | 0.070 | 0.041 | 45.416 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | O | 290 | ARG | 1 | 0.894 | 0.920 | 48.196 | -6.149 | -6.149 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | O | 291 | ARG | 1 | 0.836 | 0.905 | 43.480 | -6.761 | -6.761 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | O | 292 | SER | 0 | -0.014 | -0.016 | 48.173 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | O | 293 | TYR | 0 | 0.042 | 0.003 | 50.069 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | O | 294 | ALA | 0 | -0.023 | -0.003 | 52.979 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | O | 295 | ASN | 0 | 0.035 | 0.030 | 51.883 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | O | 296 | ILE | 0 | -0.022 | -0.011 | 52.365 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | O | 297 | LYS | 1 | 0.843 | 0.911 | 55.681 | -5.212 | -5.212 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | O | 298 | GLU | -1 | -0.936 | -0.956 | 57.085 | 5.285 | 5.285 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | O | 299 | LYS | 1 | 0.802 | 0.892 | 56.686 | -5.392 | -5.392 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | O | 300 | LEU | 0 | 0.005 | -0.005 | 58.769 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | O | 301 | PHE | 0 | 0.016 | -0.001 | 61.447 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | O | 302 | SER | 0 | -0.110 | -0.061 | 61.383 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | O | 303 | LEU | 0 | -0.038 | -0.028 | 61.170 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | O | 304 | GLY | 0 | 0.004 | 0.006 | 65.134 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | O | 305 | CYS | 0 | -0.070 | -0.011 | 64.237 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | O | 306 | THR | 0 | 0.031 | -0.026 | 65.901 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | O | 307 | GLU | -1 | -0.832 | -0.913 | 62.857 | 4.987 | 4.987 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | O | 308 | GLU | -1 | -0.913 | -0.956 | 63.893 | 4.534 | 4.534 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | O | 309 | GLU | -1 | -0.859 | -0.894 | 65.295 | 4.595 | 4.595 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | O | 310 | VAL | 0 | 0.003 | -0.002 | 59.664 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | O | 311 | GLN | 0 | 0.006 | -0.004 | 60.457 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | O | 312 | LYS | 1 | 0.984 | 0.997 | 61.060 | -4.570 | -4.570 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | O | 313 | PHE | 0 | -0.012 | -0.001 | 57.188 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | O | 314 | VAL | 0 | -0.001 | 0.000 | 55.197 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | O | 315 | LEU | 0 | 0.003 | -0.001 | 56.917 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | O | 316 | SER | 0 | -0.091 | -0.045 | 58.629 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | O | 317 | TYR | 0 | -0.108 | -0.089 | 53.420 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | O | 318 | PRO | 0 | 0.076 | 0.044 | 52.848 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | O | 319 | ASP | -1 | -0.873 | -0.952 | 49.398 | 6.281 | 6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | O | 320 | VAL | 0 | -0.046 | -0.014 | 49.821 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | O | 321 | ILE | 0 | -0.008 | -0.006 | 48.852 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | O | 322 | PHE | 0 | -0.033 | -0.009 | 41.606 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | O | 323 | LEU | 0 | -0.088 | -0.031 | 45.788 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | O | 324 | ALA | 0 | 0.003 | 0.000 | 44.142 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | O | 325 | GLU | -1 | -0.809 | -0.912 | 46.216 | 6.324 | 6.324 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | O | 326 | LYS | 1 | 0.853 | 0.908 | 47.649 | -6.237 | -6.237 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | O | 327 | LYS | 1 | 0.951 | 0.978 | 44.028 | -6.842 | -6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | O | 328 | PHE | 0 | 0.042 | 0.024 | 49.172 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | O | 329 | ASN | 0 | 0.022 | -0.007 | 52.058 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | O | 330 | ASP | -1 | -0.780 | -0.878 | 50.041 | 5.974 | 5.974 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | O | 331 | LYS | 1 | 0.767 | 0.870 | 50.274 | -6.040 | -6.040 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | O | 332 | ILE | 0 | 0.041 | 0.033 | 54.424 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | O | 333 | ASP | -1 | -0.768 | -0.871 | 56.835 | 5.226 | 5.226 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | O | 334 | CYS | 0 | -0.132 | -0.060 | 55.770 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | O | 335 | LEU | 0 | -0.001 | -0.008 | 57.904 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | O | 336 | MET | 0 | 0.017 | 0.007 | 60.658 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | O | 337 | GLU | -1 | -0.815 | -0.882 | 58.253 | 5.246 | 5.246 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | O | 338 | GLU | -1 | -0.896 | -0.950 | 62.386 | 4.852 | 4.852 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | O | 339 | ASN | 0 | -0.049 | -0.026 | 65.017 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | O | 340 | ILE | 0 | -0.072 | -0.007 | 62.893 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | O | 341 | SER | 0 | 0.038 | 0.020 | 65.627 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | O | 342 | ILE | 0 | 0.056 | 0.002 | 61.478 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | O | 343 | SER | 0 | 0.000 | -0.001 | 64.519 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | O | 344 | GLN | 0 | 0.056 | 0.026 | 66.163 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | O | 345 | ILE | 0 | -0.017 | -0.005 | 60.014 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | O | 346 | ILE | 0 | -0.018 | -0.016 | 61.161 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | O | 347 | GLU | -1 | -0.894 | -0.935 | 62.874 | 4.520 | 4.520 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | O | 348 | ASN | 0 | -0.117 | -0.061 | 63.213 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | O | 349 | PRO | 0 | 0.061 | 0.027 | 58.825 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | O | 350 | ARG | 1 | 0.898 | 0.931 | 54.440 | -5.505 | -5.505 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | O | 351 | VAL | 0 | -0.032 | -0.005 | 56.679 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | O | 352 | LEU | 0 | 0.017 | 0.001 | 54.695 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | O | 353 | ASP | -1 | -0.774 | -0.843 | 52.345 | 5.847 | 5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | O | 354 | SER | 0 | -0.070 | -0.050 | 51.243 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | O | 355 | SER | 0 | -0.019 | -0.009 | 48.644 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | O | 356 | ILE | 0 | 0.105 | 0.032 | 49.755 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | O | 357 | SER | 0 | 0.019 | 0.018 | 49.577 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | O | 358 | THR | 0 | -0.057 | -0.023 | 51.631 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | O | 359 | LEU | 0 | 0.005 | 0.015 | 53.405 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | O | 360 | LYS | 1 | 0.879 | 0.910 | 55.114 | -5.505 | -5.505 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | O | 361 | SER | 0 | -0.089 | -0.056 | 54.905 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | O | 362 | ARG | 1 | 0.802 | 0.893 | 56.819 | -5.508 | -5.508 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | O | 363 | ILE | 0 | 0.013 | 0.019 | 58.948 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | O | 364 | LYS | 1 | 0.953 | 0.985 | 56.143 | -5.512 | -5.512 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | O | 365 | GLU | -1 | -0.845 | -0.892 | 58.008 | 5.289 | 5.289 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | O | 366 | LEU | 0 | -0.032 | -0.032 | 62.534 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | O | 367 | VAL | 0 | 0.026 | 0.017 | 64.322 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | O | 368 | ASN | 0 | -0.032 | -0.001 | 63.081 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | O | 369 | ALA | 0 | -0.023 | 0.002 | 66.986 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | O | 370 | GLY | 0 | 0.030 | 0.014 | 69.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | O | 371 | CYS | 0 | -0.120 | -0.058 | 68.102 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | O | 372 | ASN | 0 | 0.064 | 0.020 | 69.580 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | O | 373 | LEU | 0 | 0.007 | 0.011 | 64.344 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | O | 374 | SER | 0 | 0.010 | -0.010 | 68.175 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | O | 375 | THR | 0 | 0.000 | -0.004 | 69.913 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | O | 376 | LEU | 0 | -0.049 | -0.005 | 66.655 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | O | 377 | ASN | 0 | 0.047 | 0.023 | 67.235 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | O | 378 | ILE | 0 | 0.070 | 0.021 | 62.950 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | O | 379 | THR | 0 | 0.046 | 0.013 | 62.477 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | O | 380 | LEU | 0 | -0.067 | -0.029 | 61.345 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | O | 381 | LEU | 0 | 0.051 | 0.030 | 59.188 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | O | 382 | SER | 0 | 0.006 | 0.020 | 56.810 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | O | 383 | TRP | 0 | -0.033 | 0.003 | 57.155 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | O | 384 | SER | 0 | 0.050 | 0.017 | 55.502 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | O | 385 | LYS | 1 | 0.922 | 0.956 | 52.420 | -5.892 | -5.892 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | O | 386 | LYS | 1 | 1.031 | 1.015 | 55.609 | -5.609 | -5.609 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | O | 387 | ARG | 1 | 0.964 | 0.987 | 58.814 | -5.180 | -5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | O | 388 | TYR | 0 | -0.009 | -0.022 | 58.848 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | O | 389 | GLU | -1 | -0.788 | -0.920 | 57.119 | 5.436 | 5.436 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | O | 390 | ALA | 0 | -0.050 | -0.021 | 61.281 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | O | 391 | LYS | 1 | 0.875 | 0.941 | 64.095 | -4.780 | -4.780 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | O | 392 | LEU | 0 | 0.041 | 0.019 | 61.858 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | O | 393 | LYS | 1 | 0.970 | 0.981 | 63.452 | -4.950 | -4.950 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | O | 394 | LYS | 1 | 0.888 | 0.948 | 66.960 | -4.493 | -4.493 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | O | 395 | LEU | 0 | -0.024 | 0.001 | 67.110 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | O | 396 | SER | 0 | 0.006 | 0.019 | 68.661 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |