![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: GNG81
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 | 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 | 303 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4500995.442937 |
---|---|
FMO2-HF: Nuclear repulsion | 4379563.350583 |
FMO2-HF: Total energy | -121432.092354 |
FMO2-MP2: Total energy | -121789.93222 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021727/ligand_interaction/ligand_F021727.png)
Ligand Interaction
![ligand interaction](./Kdata/F021727/ligand_interaction/ligand_interaction_F021727.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. |
-72.755 | -71.02 | 9.766 | -6.104 | -5.397 | -0.063 |
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 | 0.019 | 0.016 | 1.800 | -35.262 | -34.345 | 9.742 | -5.939 | -4.721 | -0.062 |
4 | A | 2 | GLN | 0 | -0.020 | -0.011 | 3.102 | 3.831 | 4.584 | 0.025 | -0.164 | -0.614 | -0.001 |
5 | A | 3 | VAL | 0 | 0.037 | 0.019 | 5.259 | 1.651 | 1.716 | -0.001 | -0.001 | -0.062 | 0.000 |
6 | A | 4 | ARG | 1 | 0.848 | 0.909 | 8.603 | 23.519 | 23.519 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 5 | ILE | 0 | 0.017 | 0.016 | 11.043 | 0.834 | 0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 6 | GLU | -1 | -0.755 | -0.849 | 14.515 | -18.481 | -18.481 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 7 | ARG | 1 | 0.862 | 0.902 | 17.521 | 13.172 | 13.172 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 8 | ALA | 0 | -0.002 | 0.004 | 18.906 | -0.746 | -0.746 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 9 | GLU | -1 | -0.690 | -0.837 | 20.943 | -11.528 | -11.528 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 10 | ARG | 1 | 0.824 | 0.890 | 23.981 | 10.089 | 10.089 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 11 | ILE | 0 | 0.027 | 0.028 | 23.064 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 12 | GLU | -1 | -0.817 | -0.881 | 27.272 | -9.904 | -9.904 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 13 | SER | 0 | -0.084 | -0.048 | 30.643 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 14 | GLU | -1 | -0.867 | -0.945 | 28.770 | -11.324 | -11.324 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 15 | LEU | 0 | -0.109 | -0.044 | 30.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 16 | GLU | -1 | -0.952 | -0.963 | 26.746 | -11.193 | -11.193 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 17 | GLU | -1 | -0.902 | -0.958 | 29.983 | -10.187 | -10.187 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 18 | HIS | 0 | -0.068 | -0.029 | 25.778 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 19 | VAL | 0 | 0.002 | 0.007 | 23.342 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 20 | GLY | 0 | -0.017 | -0.007 | 22.668 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 21 | ASP | -1 | -0.944 | -0.972 | 17.823 | -16.879 | -16.879 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 22 | GLN | 0 | -0.039 | -0.027 | 18.828 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 23 | THR | 0 | -0.018 | -0.004 | 21.014 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 24 | PHE | 0 | -0.029 | -0.015 | 18.874 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 25 | VAL | 0 | -0.035 | -0.006 | 23.735 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 26 | GLU | -1 | -0.914 | -0.969 | 24.857 | -12.847 | -12.847 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 27 | GLU | -1 | -0.919 | -0.962 | 25.848 | -11.218 | -11.218 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 28 | SER | 0 | -0.051 | -0.043 | 26.401 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 29 | ARG | 1 | 0.874 | 0.932 | 29.021 | 9.582 | 9.582 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 30 | PHE | 0 | 0.049 | 0.012 | 27.532 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 31 | LEU | 0 | -0.038 | -0.002 | 33.098 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 32 | GLU | -1 | -0.831 | -0.917 | 31.723 | -9.780 | -9.780 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 33 | GLU | -1 | -0.823 | -0.897 | 35.628 | -8.052 | -8.052 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 34 | ASP | -1 | -0.738 | -0.845 | 36.389 | -8.332 | -8.332 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 35 | GLU | -1 | -0.860 | -0.916 | 36.177 | -8.495 | -8.495 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 36 | GLN | 0 | -0.050 | -0.011 | 34.488 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 37 | ARG | 1 | 0.801 | 0.887 | 37.221 | 7.889 | 7.889 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 38 | GLU | -1 | -0.863 | -0.930 | 40.333 | -7.904 | -7.904 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 39 | GLY | 0 | 0.037 | 0.028 | 41.622 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 40 | GLU | -1 | -0.948 | -0.973 | 43.024 | -6.472 | -6.472 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 41 | ILE | 0 | -0.072 | -0.040 | 42.540 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 42 | LEU | 0 | 0.013 | 0.010 | 43.477 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 43 | ASP | -1 | -0.785 | -0.904 | 46.896 | -6.295 | -6.295 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 44 | GLN | 0 | -0.052 | -0.039 | 49.369 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 45 | ILE | 0 | -0.047 | -0.017 | 43.100 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 46 | ILE | 0 | -0.001 | 0.016 | 47.171 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 47 | PHE | 0 | 0.002 | -0.006 | 40.757 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 48 | VAL | 0 | 0.007 | -0.005 | 44.151 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 49 | ASP | -1 | -0.816 | -0.922 | 40.101 | -8.136 | -8.136 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 50 | GLY | 0 | 0.007 | -0.011 | 42.167 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 51 | LYS | 1 | 0.829 | 0.913 | 38.743 | 7.878 | 7.878 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 52 | ARG | 1 | 0.897 | 0.932 | 36.557 | 8.487 | 8.487 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 53 | ARG | 1 | 0.862 | 0.933 | 42.075 | 6.793 | 6.793 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 54 | SER | 0 | 0.033 | 0.014 | 41.566 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 55 | PHE | 0 | -0.051 | -0.036 | 43.570 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 56 | VAL | 0 | 0.028 | 0.024 | 45.260 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 57 | ARG | 1 | 0.931 | 0.974 | 38.619 | 7.990 | 7.990 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 58 | ILE | 0 | 0.009 | 0.004 | 44.948 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 59 | THR | 0 | -0.018 | -0.009 | 45.108 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 60 | THR | 0 | 0.022 | 0.020 | 47.658 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 61 | ASP | -1 | -0.883 | -0.952 | 50.175 | -6.008 | -6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 62 | GLU | -1 | -0.902 | -0.937 | 50.665 | -6.132 | -6.132 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 63 | GLY | 0 | -0.028 | -0.015 | 47.553 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 64 | ILE | 0 | -0.047 | -0.008 | 45.833 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 65 | THR | 0 | -0.022 | -0.020 | 41.659 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 66 | GLY | 0 | 0.052 | 0.014 | 44.840 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 67 | ILE | 0 | -0.102 | -0.054 | 40.994 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 68 | PHE | 0 | 0.077 | 0.059 | 45.452 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 69 | ALA | 0 | -0.015 | -0.023 | 44.916 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 70 | GLU | -1 | -0.708 | -0.803 | 46.528 | -6.164 | -6.164 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 71 | LEU | 0 | 0.006 | 0.001 | 44.403 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 72 | CYS | 0 | -0.062 | -0.033 | 46.355 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 73 | VAL | 0 | 0.009 | 0.000 | 45.975 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 74 | GLY | 0 | 0.018 | 0.004 | 47.222 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 75 | ALA | 0 | 0.041 | 0.012 | 47.167 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 76 | VAL | 0 | -0.009 | 0.001 | 45.487 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 77 | ILE | 0 | 0.023 | 0.016 | 48.075 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 78 | TRP | 0 | -0.041 | -0.024 | 45.809 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 79 | ASP | -1 | -0.814 | -0.917 | 48.055 | -6.025 | -6.025 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 80 | ARG | 1 | 0.857 | 0.912 | 48.063 | 6.448 | 6.448 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 81 | GLU | -1 | -0.983 | -0.975 | 49.321 | -5.909 | -5.909 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 82 | GLY | 0 | 0.016 | -0.002 | 51.819 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 83 | GLY | 0 | -0.019 | 0.001 | 48.338 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 84 | THR | 0 | -0.009 | -0.025 | 45.498 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 85 | LYS | 1 | 0.861 | 0.947 | 48.680 | 6.192 | 6.192 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 86 | THR | 0 | 0.024 | 0.021 | 49.387 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 87 | LEU | 0 | -0.079 | -0.027 | 51.353 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 88 | PHE | 0 | 0.001 | -0.014 | 48.775 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 89 | SER | 0 | -0.050 | -0.053 | 54.616 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 90 | PRO | 0 | 0.035 | 0.000 | 55.928 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 91 | ASP | -1 | -0.847 | -0.875 | 57.580 | -5.279 | -5.279 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 92 | LYS | 1 | 0.842 | 0.914 | 58.847 | 5.289 | 5.289 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 93 | PRO | 0 | 0.015 | 0.021 | 55.547 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 94 | PRO | 0 | 0.031 | 0.025 | 51.051 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 95 | VAL | 0 | 0.010 | 0.002 | 51.605 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 96 | LYS | 1 | 0.843 | 0.923 | 51.055 | 5.965 | 5.965 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 97 | GLU | -1 | -0.764 | -0.842 | 50.786 | -5.892 | -5.892 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 98 | ARG | 1 | 0.816 | 0.902 | 50.228 | 5.824 | 5.824 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 99 | VAL | 0 | -0.014 | -0.004 | 47.067 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 100 | LEU | 0 | 0.007 | 0.003 | 48.767 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 101 | GLY | 0 | -0.006 | 0.006 | 45.685 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 102 | PHE | 0 | 0.051 | 0.012 | 45.984 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 103 | SER | 0 | 0.012 | 0.026 | 43.498 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 104 | GLN | 0 | -0.035 | -0.042 | 43.796 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 105 | SER | 0 | -0.043 | -0.030 | 45.951 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 106 | PHE | 0 | 0.010 | 0.018 | 48.130 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 107 | GLN | 0 | -0.017 | -0.021 | 50.424 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 108 | GLU | -1 | -0.878 | -0.915 | 53.781 | -5.744 | -5.744 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 109 | GLU | -1 | -0.973 | -1.010 | 54.170 | -5.696 | -5.696 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 110 | GLY | 0 | -0.001 | 0.011 | 55.861 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 111 | TYR | 0 | -0.044 | -0.046 | 56.009 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 112 | GLU | -1 | -0.853 | -0.923 | 54.420 | -5.881 | -5.881 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 113 | GLU | -1 | -0.927 | -0.959 | 56.816 | -5.296 | -5.296 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 114 | VAL | 0 | 0.065 | 0.036 | 54.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 115 | GLY | 0 | 0.023 | 0.006 | 57.837 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 116 | GLY | 0 | -0.043 | -0.024 | 59.805 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 117 | ILE | 0 | -0.084 | -0.040 | 55.380 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 118 | LEU | 0 | 0.010 | 0.004 | 57.595 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 119 | PHE | 0 | -0.031 | -0.024 | 51.280 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 120 | LYS | 1 | 0.832 | 0.895 | 52.615 | 6.003 | 6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 121 | VAL | 0 | 0.014 | 0.014 | 51.551 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 122 | VAL | 0 | -0.031 | -0.009 | 46.624 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 123 | LYS | 1 | 0.850 | 0.915 | 46.988 | 6.284 | 6.284 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 124 | GLU | -1 | -0.875 | -0.929 | 45.630 | -6.555 | -6.555 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 125 | GLY | 0 | -0.012 | -0.001 | 42.277 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 126 | LYS | 1 | 0.947 | 0.954 | 37.064 | 8.466 | 8.466 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 127 | ASP | -1 | -0.828 | -0.912 | 37.829 | -8.292 | -8.292 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 128 | ALA | 0 | 0.044 | 0.020 | 40.735 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 129 | MET | 0 | -0.003 | -0.005 | 38.055 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 130 | GLN | 0 | 0.016 | 0.015 | 36.861 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 131 | SER | 0 | -0.001 | -0.026 | 39.806 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 132 | ILE | 0 | -0.029 | -0.009 | 42.311 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 133 | ASP | -1 | -0.838 | -0.906 | 37.837 | -8.154 | -8.154 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 134 | LEU | 0 | -0.040 | -0.022 | 41.050 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 135 | TYR | 0 | -0.001 | -0.009 | 43.091 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 136 | MET | 0 | 0.007 | 0.029 | 40.775 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 137 | ARG | 1 | 0.879 | 0.925 | 40.729 | 7.444 | 7.444 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 138 | SER | 0 | -0.060 | -0.048 | 43.776 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 139 | LEU | 0 | -0.017 | -0.012 | 47.268 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 140 | GLU | -1 | -0.829 | -0.931 | 42.236 | -7.488 | -7.488 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 141 | ILE | 0 | -0.042 | -0.024 | 44.920 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 142 | GLU | -1 | -0.875 | -0.935 | 47.789 | -5.825 | -5.825 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 143 | GLU | -1 | -0.841 | -0.895 | 48.683 | -6.035 | -6.035 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 144 | VAL | 0 | 0.000 | -0.016 | 46.154 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 145 | ARG | 1 | 0.894 | 0.932 | 49.473 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 146 | LYS | 1 | 0.834 | 0.923 | 52.695 | 6.067 | 6.067 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 147 | HIS | 0 | -0.028 | -0.027 | 50.943 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 148 | MET | 0 | -0.016 | 0.003 | 50.266 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 149 | ASP | -1 | -0.868 | -0.918 | 53.501 | -5.590 | -5.590 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 150 | LYS | 1 | 0.789 | 0.870 | 54.459 | 5.762 | 5.762 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 151 | ASN | 0 | -0.057 | -0.023 | 54.164 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 152 | ILE | 0 | 0.024 | 0.020 | 49.915 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 153 | LEU | 0 | 0.007 | 0.012 | 43.754 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 154 | ILE | 0 | -0.004 | -0.003 | 46.017 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 155 | VAL | 0 | -0.037 | -0.019 | 40.198 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 156 | LYS | 1 | 0.826 | 0.904 | 40.369 | 7.815 | 7.815 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 157 | ASP | -1 | -0.758 | -0.876 | 36.996 | -8.841 | -8.841 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 158 | GLY | 0 | 0.019 | 0.013 | 36.115 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 159 | PRO | 0 | -0.070 | -0.054 | 35.145 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 160 | ALA | 0 | 0.013 | 0.012 | 37.255 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 161 | ALA | 0 | 0.013 | 0.002 | 39.905 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 162 | ARG | 1 | 0.951 | 0.980 | 40.468 | 7.591 | 7.591 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 163 | GLU | -1 | -0.851 | -0.905 | 44.352 | -6.991 | -6.991 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 164 | LEU | 0 | -0.055 | -0.035 | 46.339 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 165 | PRO | 0 | -0.043 | -0.024 | 46.131 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 166 | PHE | 0 | 0.028 | 0.010 | 44.831 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 167 | GLU | -1 | -0.809 | -0.889 | 46.842 | -5.953 | -5.953 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 168 | GLU | -1 | -0.926 | -0.977 | 49.344 | -6.037 | -6.037 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 169 | ASN | 0 | -0.003 | 0.006 | 49.495 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 170 | VAL | 0 | 0.016 | 0.021 | 49.462 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 171 | GLY | 0 | 0.003 | 0.028 | 45.857 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 172 | PRO | 0 | 0.036 | 0.006 | 44.633 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 173 | ILE | 0 | -0.061 | -0.044 | 39.395 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 174 | GLY | 0 | 0.020 | 0.037 | 38.824 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 175 | LEU | 0 | 0.016 | 0.001 | 34.907 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 176 | VAL | 0 | -0.041 | -0.013 | 31.018 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 177 | LYS | 1 | 0.879 | 0.913 | 30.712 | 8.599 | 8.599 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 178 | ASN | 0 | -0.011 | -0.006 | 28.309 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 179 | ILE | 0 | -0.020 | -0.020 | 24.637 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 180 | GLY | 0 | 0.031 | 0.020 | 24.399 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 181 | VAL | 0 | 0.057 | 0.031 | 24.579 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 182 | THR | 0 | -0.017 | -0.013 | 22.873 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 183 | GLU | -1 | -0.856 | -0.905 | 26.319 | -9.377 | -9.377 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 184 | LEU | 0 | 0.007 | 0.013 | 25.314 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 185 | SER | 0 | 0.067 | 0.035 | 23.450 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 186 | LYS | 1 | 0.985 | 0.985 | 14.211 | 19.139 | 19.139 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 187 | GLU | -1 | -0.802 | -0.895 | 17.237 | -18.288 | -18.288 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 188 | ASP | -1 | -0.759 | -0.839 | 19.961 | -12.309 | -12.309 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 189 | PHE | 0 | 0.013 | 0.005 | 20.116 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 190 | LYS | 1 | 0.786 | 0.863 | 14.038 | 19.280 | 19.280 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 191 | LYS | 1 | 0.853 | 0.915 | 19.263 | 12.746 | 12.746 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 192 | LEU | 0 | 0.027 | 0.022 | 21.774 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 193 | ARG | 1 | 0.814 | 0.918 | 16.766 | 17.570 | 17.570 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 194 | PHE | 0 | -0.013 | -0.014 | 17.216 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 195 | LEU | 0 | -0.015 | 0.019 | 23.049 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 196 | LYS | 1 | 0.805 | 0.875 | 24.387 | 12.239 | 12.239 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 197 | LYS | 1 | 0.895 | 0.930 | 28.667 | 9.664 | 9.664 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 198 | GLY | 0 | 0.028 | 0.012 | 31.277 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 199 | LYS | 1 | 0.839 | 0.938 | 30.487 | 9.317 | 9.317 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 200 | ARG | 1 | 0.772 | 0.850 | 31.496 | 8.376 | 8.376 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 201 | SER | 0 | -0.043 | -0.026 | 29.049 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 202 | LYS | 1 | 0.816 | 0.893 | 30.765 | 9.573 | 9.573 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 203 | MET | 0 | -0.007 | 0.007 | 32.595 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 204 | PHE | 0 | -0.023 | 0.001 | 30.662 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 205 | VAL | 0 | 0.008 | 0.005 | 34.092 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 206 | SER | 0 | 0.020 | 0.017 | 34.666 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 207 | SER | 0 | -0.034 | -0.034 | 35.529 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 208 | ARG | 1 | 0.885 | 0.924 | 34.601 | 8.855 | 8.855 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 209 | GLU | -1 | -0.846 | -0.887 | 39.608 | -6.848 | -6.848 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 210 | THR | 0 | 0.008 | -0.021 | 43.070 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 211 | PRO | 0 | 0.013 | 0.014 | 45.575 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 212 | LEU | 0 | -0.033 | -0.028 | 44.376 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 213 | LYS | 1 | 0.781 | 0.908 | 40.658 | 7.178 | 7.178 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 214 | LYS | 1 | 0.786 | 0.863 | 33.702 | 9.178 | 9.178 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 215 | VAL | 0 | -0.002 | -0.004 | 37.444 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 216 | GLY | 0 | 0.050 | 0.017 | 34.583 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 217 | ALA | 0 | 0.028 | 0.018 | 32.723 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 218 | TYR | 0 | -0.026 | -0.035 | 27.660 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 219 | VAL | 0 | 0.051 | 0.025 | 30.516 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 220 | LYS | 1 | 0.804 | 0.915 | 24.147 | 12.235 | 12.235 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 221 | LEU | 0 | 0.001 | -0.016 | 29.713 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 222 | ILE | 0 | 0.017 | 0.021 | 27.084 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 223 | ASP | -1 | -0.848 | -0.909 | 28.536 | -10.291 | -10.291 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 224 | GLY | 0 | 0.056 | 0.024 | 24.421 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 225 | GLU | -1 | -0.860 | -0.920 | 20.333 | -13.115 | -13.115 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 226 | GLY | 0 | 0.026 | 0.023 | 19.647 | -0.909 | -0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 227 | ILE | 0 | -0.005 | -0.022 | 20.248 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 228 | ARG | 1 | 0.749 | 0.866 | 22.681 | 12.510 | 12.510 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 229 | GLY | 0 | 0.072 | 0.028 | 25.142 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 230 | LEU | 0 | -0.064 | -0.007 | 24.208 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 231 | VAL | 0 | 0.020 | 0.019 | 27.663 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 232 | ARG | 1 | 0.768 | 0.866 | 29.304 | 9.966 | 9.966 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 233 | LEU | 0 | -0.003 | 0.024 | 32.016 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 234 | GLU | -1 | -0.749 | -0.876 | 34.386 | -9.125 | -9.125 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 235 | THR | 0 | 0.010 | -0.011 | 37.455 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 236 | TYR | 0 | 0.018 | 0.019 | 39.057 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 237 | VAL | 0 | 0.002 | 0.023 | 42.707 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 238 | LYS | 1 | 0.803 | 0.895 | 44.989 | 6.116 | 6.116 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 239 | ASP | -1 | -0.832 | -0.920 | 48.236 | -6.280 | -6.280 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 240 | ASP | -1 | -0.780 | -0.889 | 44.391 | -7.273 | -7.273 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 241 | ASN | 0 | -0.098 | -0.046 | 46.656 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 242 | GLN | 0 | 0.030 | -0.012 | 47.212 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 243 | ILE | 0 | -0.011 | -0.001 | 41.569 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 244 | PRO | 0 | -0.035 | -0.025 | 43.898 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 245 | TYR | 0 | 0.019 | 0.015 | 45.655 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 246 | ILE | 0 | -0.010 | 0.000 | 40.927 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 247 | ARG | 1 | 0.819 | 0.890 | 39.705 | 7.544 | 7.544 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 248 | LYS | 1 | 0.812 | 0.895 | 41.509 | 6.683 | 6.683 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 249 | VAL | 0 | 0.066 | 0.030 | 42.136 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 250 | PHE | 0 | -0.035 | -0.031 | 37.422 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 251 | ASP | -1 | -0.746 | -0.875 | 38.642 | -8.215 | -8.215 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 252 | ASP | -1 | -0.753 | -0.861 | 40.114 | -7.115 | -7.115 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 253 | LEU | 0 | -0.025 | -0.001 | 38.941 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 254 | ALA | 0 | -0.038 | -0.014 | 35.750 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 255 | LYS | 1 | 0.811 | 0.908 | 36.787 | 7.538 | 7.538 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 256 | THR | 0 | 0.025 | -0.008 | 39.349 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 257 | LEU | 0 | -0.005 | -0.015 | 36.967 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 258 | PRO | 0 | 0.009 | 0.009 | 34.660 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 259 | HIS | 0 | -0.090 | -0.035 | 36.303 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 260 | LEU | 0 | -0.029 | 0.007 | 38.851 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 261 | THR | 0 | -0.042 | -0.022 | 34.208 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 262 | ALA | 0 | 0.009 | 0.000 | 35.454 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 263 | ASP | -1 | -0.892 | -0.954 | 29.202 | -11.110 | -11.110 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 264 | LEU | 0 | -0.016 | -0.021 | 31.836 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 265 | PRO | 0 | -0.027 | 0.012 | 30.883 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 266 | ILE | 0 | 0.087 | 0.022 | 24.636 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 267 | PRO | 0 | -0.056 | -0.041 | 27.743 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 268 | ARG | 1 | 0.832 | 0.901 | 30.130 | 9.034 | 9.034 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 269 | LEU | 0 | -0.032 | -0.002 | 24.633 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 270 | PRO | 0 | -0.007 | 0.007 | 27.177 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 271 | GLU | -1 | -0.769 | -0.861 | 29.419 | -9.736 | -9.736 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 272 | ASN | 0 | -0.014 | 0.001 | 32.246 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 273 | ILE | 0 | 0.010 | 0.017 | 34.844 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 274 | LEU | 0 | -0.002 | -0.014 | 36.908 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 275 | PRO | 0 | 0.002 | -0.003 | 40.047 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 276 | ILE | 0 | 0.019 | 0.017 | 38.284 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 277 | GLN | 0 | 0.033 | 0.027 | 38.304 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 278 | PHE | 0 | 0.000 | -0.003 | 40.290 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 279 | LEU | 0 | -0.001 | 0.020 | 43.447 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 280 | GLU | -1 | -0.814 | -0.900 | 38.260 | -8.226 | -8.226 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 281 | GLU | -1 | -0.945 | -0.973 | 41.902 | -7.588 | -7.588 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 282 | ASN | 0 | -0.038 | -0.024 | 44.140 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 283 | LEU | 0 | -0.010 | -0.002 | 44.566 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 284 | SER | 0 | -0.111 | -0.080 | 44.222 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 285 | TYR | 0 | -0.019 | 0.006 | 46.189 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 286 | TYR | 0 | 0.019 | 0.012 | 49.550 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 287 | LEU | 0 | -0.032 | -0.004 | 45.342 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 288 | THR | 0 | -0.085 | -0.077 | 49.487 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 289 | ASP | -1 | -0.798 | -0.901 | 49.340 | -6.579 | -6.579 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 290 | LYS | 1 | 0.919 | 0.961 | 42.157 | 7.551 | 7.551 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 291 | ASN | 0 | -0.013 | 0.009 | 48.381 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 292 | TYR | 0 | 0.038 | 0.012 | 50.298 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 293 | MET | 0 | -0.005 | 0.003 | 50.267 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 294 | ASN | 0 | -0.034 | -0.039 | 46.280 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 295 | THR | 0 | -0.014 | -0.003 | 50.453 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 296 | ARG | 1 | 0.868 | 0.931 | 53.410 | 5.486 | 5.486 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 297 | LEU | 0 | 0.000 | -0.003 | 50.305 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 298 | PHE | 0 | -0.015 | -0.029 | 47.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 299 | ALA | 0 | -0.062 | -0.017 | 53.193 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 300 | TYR | 0 | -0.022 | -0.015 | 56.735 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 301 | ILE | 0 | -0.021 | 0.018 | 51.484 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |