FMODB ID: K3L73
Calculation Name: 3MJK-A-Xray372
Preferred Name: Platelet-derived growth factor subunit A
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3MJK
Chain ID: A
ChEMBL ID: CHEMBL3137294
UniProt ID: P04085
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 127 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -949159.751804 |
---|---|
FMO2-HF: Nuclear repulsion | 895602.080062 |
FMO2-HF: Total energy | -53557.671742 |
FMO2-MP2: Total energy | -53710.159223 |
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(A:22:GLU)
Summations of interaction energy for
fragment #1(A:22: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. |
-48.548 | -47.018 | 0.025 | -0.485 | -1.071 | 0.002 |
Interaction energy analysis for fragmet #1(A:22: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 | A | 24 | GLU | -1 | -0.934 | -0.964 | 3.372 | 25.684 | 27.214 | 0.025 | -0.485 | -1.071 | 0.002 |
4 | A | 25 | ILE | 0 | -0.036 | -0.037 | 6.164 | -1.292 | -1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 26 | PRO | 0 | -0.014 | 0.007 | 9.172 | -1.114 | -1.114 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 27 | ARG | 1 | 1.039 | 1.009 | 11.075 | -20.941 | -20.941 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 28 | GLU | -1 | -0.835 | -0.914 | 13.347 | 19.884 | 19.884 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 29 | VAL | 0 | 0.011 | 0.012 | 12.626 | -1.195 | -1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 30 | ILE | 0 | 0.009 | 0.008 | 14.013 | -1.181 | -1.181 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 31 | GLU | -1 | -0.879 | -0.961 | 17.188 | 14.711 | 14.711 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 32 | ARG | 1 | 0.845 | 0.920 | 16.562 | -17.536 | -17.536 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 33 | LEU | 0 | 0.006 | -0.007 | 18.069 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 34 | ALA | 0 | -0.001 | 0.016 | 21.302 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 35 | ARG | 1 | 0.860 | 0.954 | 19.985 | -14.357 | -14.357 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 36 | SER | 0 | -0.014 | -0.024 | 24.089 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 37 | GLN | 0 | -0.018 | -0.016 | 25.954 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 38 | ILE | 0 | -0.011 | 0.003 | 23.205 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 39 | HIS | 0 | -0.034 | -0.024 | 27.142 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 40 | SER | 0 | -0.016 | -0.010 | 27.816 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 41 | ILE | 0 | 0.019 | 0.013 | 22.678 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 42 | ARG | 1 | 0.974 | 0.987 | 24.118 | -9.895 | -9.895 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 43 | ASP | -1 | -0.851 | -0.914 | 25.260 | 11.186 | 11.186 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 44 | LEU | 0 | 0.024 | 0.008 | 19.406 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 45 | GLN | 0 | -0.042 | -0.041 | 20.721 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 46 | ARG | 1 | 1.049 | 1.036 | 20.885 | -11.017 | -11.017 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 47 | LEU | 0 | -0.164 | -0.065 | 21.205 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 48 | LEU | 0 | -0.075 | -0.058 | 16.176 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 49 | GLU | -1 | -0.901 | -0.938 | 17.967 | 16.325 | 16.325 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 50 | ILE | 0 | -0.057 | -0.022 | 15.914 | 1.077 | 1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 51 | ASP | -1 | -0.898 | -0.927 | 18.183 | 14.267 | 14.267 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 52 | SER | 0 | -0.098 | -0.060 | 20.331 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 53 | VAL | 0 | 0.018 | 0.010 | 15.539 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 83 | ARG | 1 | 0.989 | 0.984 | 24.522 | -10.990 | -10.990 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 84 | ARG | 1 | 0.987 | 0.975 | 23.503 | -11.616 | -11.616 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 85 | LYS | 1 | 0.912 | 0.962 | 27.634 | -9.321 | -9.321 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 86 | ARG | 1 | 1.052 | 1.013 | 31.343 | -8.605 | -8.605 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 87 | SER | 0 | -0.006 | -0.010 | 34.004 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 88 | ILE | 0 | 0.005 | 0.028 | 29.321 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 89 | GLU | -1 | -0.977 | -0.978 | 31.784 | 8.887 | 8.887 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 90 | GLU | -1 | -0.897 | -0.956 | 27.848 | 11.176 | 11.176 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 91 | ALA | 0 | 0.023 | 0.011 | 27.050 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 92 | VAL | 0 | 0.041 | 0.019 | 28.798 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 93 | PRO | 0 | 0.002 | 0.017 | 27.763 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 94 | ALA | 0 | 0.009 | 0.002 | 29.420 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 95 | VAL | 0 | 0.056 | 0.006 | 30.738 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 96 | CYS | 0 | -0.005 | 0.015 | 27.789 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 97 | LYS | 1 | 0.954 | 0.985 | 32.902 | -8.079 | -8.079 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 98 | THR | 0 | 0.052 | 0.027 | 36.599 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 99 | ARG | 1 | 0.753 | 0.860 | 34.488 | -8.593 | -8.593 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 100 | THR | 0 | 0.049 | 0.024 | 40.152 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 101 | VAL | 0 | 0.005 | 0.012 | 37.743 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 102 | ILE | 0 | 0.042 | 0.009 | 40.879 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 103 | TYR | 0 | -0.042 | -0.016 | 41.658 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 104 | GLU | -1 | -0.877 | -0.957 | 43.515 | 6.503 | 6.503 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 105 | ILE | 0 | -0.072 | -0.037 | 45.399 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 106 | PRO | 0 | 0.012 | 0.006 | 44.604 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 107 | ARG | 1 | 1.014 | 0.995 | 46.687 | -5.967 | -5.967 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 108 | SER | 0 | 0.044 | 0.020 | 45.846 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 109 | GLN | 0 | -0.021 | -0.010 | 47.661 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 110 | VAL | 0 | -0.082 | -0.031 | 49.827 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 111 | ASP | -1 | -0.834 | -0.913 | 52.758 | 5.286 | 5.286 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 112 | PRO | 0 | -0.019 | 0.006 | 50.647 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 113 | THR | 0 | -0.065 | -0.048 | 51.864 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 114 | SER | 0 | -0.034 | -0.019 | 54.586 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 115 | ALA | 0 | 0.045 | 0.021 | 52.863 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 116 | ASN | 0 | -0.092 | -0.046 | 54.334 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 117 | PHE | 0 | -0.008 | -0.011 | 53.144 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 118 | LEU | 0 | -0.035 | -0.016 | 55.285 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 119 | ILE | 0 | 0.028 | 0.020 | 51.273 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 120 | TRP | 0 | 0.023 | 0.030 | 54.174 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 121 | PRO | 0 | 0.030 | 0.010 | 52.694 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 122 | PRO | 0 | 0.035 | -0.002 | 49.968 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 123 | CYS | 0 | 0.000 | 0.017 | 46.098 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 124 | VAL | 0 | -0.010 | 0.003 | 47.115 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 125 | GLU | -1 | -0.918 | -0.952 | 45.479 | 6.539 | 6.539 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 126 | VAL | 0 | -0.054 | -0.026 | 42.437 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 127 | LYS | 1 | 0.869 | 0.922 | 42.498 | -6.686 | -6.686 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 128 | ARG | 1 | 0.933 | 0.960 | 37.811 | -7.510 | -7.510 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 129 | CYS | 0 | -0.054 | 0.016 | 34.868 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 130 | THR | 0 | 0.019 | 0.015 | 33.534 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 131 | GLY | 0 | 0.036 | 0.009 | 31.341 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 132 | CYS | 0 | -0.063 | -0.036 | 26.007 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 133 | CYS | 0 | -0.013 | 0.024 | 25.572 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 134 | ASN | 0 | -0.013 | -0.017 | 23.439 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 135 | THR | 0 | 0.016 | 0.027 | 19.338 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 136 | SER | 0 | 0.040 | 0.002 | 19.422 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 137 | SER | 0 | -0.023 | -0.001 | 19.318 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 138 | VAL | 0 | -0.030 | -0.009 | 21.239 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 139 | LYS | 1 | 0.983 | 0.987 | 24.794 | -11.122 | -11.122 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 141 | GLN | 0 | 0.016 | -0.003 | 30.949 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 142 | PRO | 0 | 0.034 | -0.009 | 33.433 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 143 | SER | 0 | -0.027 | -0.037 | 37.232 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 144 | ARG | 1 | 0.898 | 0.950 | 39.163 | -7.186 | -7.186 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 145 | VAL | 0 | 0.032 | 0.014 | 40.825 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 146 | HIS | 0 | -0.012 | -0.007 | 43.337 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 147 | HIS | 0 | 0.035 | 0.027 | 43.550 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 148 | ARG | 1 | 0.876 | 0.927 | 47.982 | -6.268 | -6.268 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 149 | SER | 0 | -0.024 | -0.035 | 50.448 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 150 | VAL | 0 | -0.005 | 0.007 | 51.875 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 151 | LYS | 1 | 0.906 | 0.956 | 54.386 | -4.970 | -4.970 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 152 | VAL | 0 | 0.008 | 0.016 | 52.728 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 153 | ALA | 0 | -0.015 | -0.018 | 56.125 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 154 | LYS | 1 | 0.921 | 0.981 | 57.159 | -5.128 | -5.128 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 155 | VAL | 0 | 0.004 | -0.019 | 58.582 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 156 | GLU | -1 | -0.844 | -0.925 | 59.763 | 5.060 | 5.060 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 157 | TYR | 0 | -0.001 | -0.013 | 62.046 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 158 | VAL | 0 | 0.005 | 0.012 | 65.160 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 159 | ARG | 1 | 1.005 | 1.007 | 67.095 | -4.326 | -4.326 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 160 | LYS | 1 | 1.000 | 1.004 | 68.467 | -4.239 | -4.239 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 161 | LYS | 1 | 0.945 | 0.945 | 69.363 | -4.151 | -4.151 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 162 | PRO | 0 | 0.049 | 0.031 | 66.322 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 163 | LYS | 1 | 0.860 | 0.939 | 65.179 | -4.536 | -4.536 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 164 | LEU | 0 | 0.062 | 0.032 | 62.027 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 165 | LYS | 1 | 0.932 | 0.977 | 60.752 | -4.978 | -4.978 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 166 | GLU | -1 | -0.846 | -0.933 | 60.088 | 5.008 | 5.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 167 | VAL | 0 | -0.001 | 0.003 | 54.801 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 168 | GLN | 0 | -0.029 | -0.013 | 54.455 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 169 | VAL | 0 | 0.016 | 0.007 | 49.366 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 170 | ARG | 1 | 0.952 | 0.978 | 47.848 | -6.116 | -6.116 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 171 | LEU | 0 | -0.020 | 0.000 | 46.441 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 172 | GLU | -1 | -0.863 | -0.938 | 40.189 | 7.387 | 7.387 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 173 | GLU | -1 | -0.842 | -0.896 | 43.217 | 6.618 | 6.618 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 174 | HIS | 0 | 0.019 | 0.004 | 37.077 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 175 | LEU | 0 | -0.046 | -0.037 | 41.742 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 176 | GLU | -1 | -0.876 | -0.919 | 39.820 | 7.427 | 7.427 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 178 | ALA | 0 | 0.059 | 0.027 | 34.034 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 180 | ALA | 0 | 0.017 | 0.009 | 27.222 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |