Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
50bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
51bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
52bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
53bsu1417034 40% 0.548 PF00258 C1_S1109 - (107)4 10 / 9 / - 2
54bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
55bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
56bsu3660032 40% 0.542 PF00145 C4_S1108 - (35)7 1 / 30 / 4 1
57bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
58bsu3319021 44% 0.460 PF00106 107 - (66)1 - / - / - 0
59bsu3344073 46% 0.544 PF00175 C2_S1106 - (90)8 37 / 15 / 1 4
60bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
61bsu0945022 65% 0.559 PF00106 C1_S1104 - (67)7 4 / - / 2 1
62bsu250300 35% 0.128 PF00124 104 - (0)? - / - / - 0
63bsu2425024 100% 0.541 PF02863 C8_S1103 - (0)2 - / - / 5 1
64bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
65bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
66bsu2371018 33% 0.507 PF11798 102 - (102)? - / - / - 0
67bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
68bsu368607 59% 0.308 PF00137 102 - (0)? - / - / - 0
69bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
70bsu1377034 57% 0.624 PF00106 C1_S1102 - (56)11 2 / 4 / 6 3
71bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
72bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
73bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
74bsu0393027 83% 0.582 PF00106 C1_S1101 - (67)7 22 / - / 4 2
75bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
76bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
77bsu2664020 43% 0.503 PF01266 100 - (86)? - / - / - 0
78bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
79bsu0419022 61% 0.553 PF00106 C1_S199 - (59)6 4 / - / 3 1
80bsu4000026 36% 0.600 PF00106 C2_S199 - (71)7 4 / - / 8 3
81bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
82bsu0210022 100% 0.807 PF00067 C4_S196 - (1)2 11 / - / - 1
83bsu189308 32% 0.443 PF11798 96 - (0)? - / - / - 0
84bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
85bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
86bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
87bsu1043020 66% 0.546 PF00106 C1_S194 - (56)6 5 / - / 2 1
88bsu0007048 100% 0.542 PF00521 C8_S193 - (0)7 - / 1 / 35 0
89bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
90bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
91bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
92bsu2277066 100% 0.809 PF02081 C16_S192 - (0)2 - / 3 / 47 1
93bsu3359022 77% 0.544 PF00106 C1_S192 - (56)3 - / - / 1 0
94bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
95bsu3142012 33% 0.506 PF13419 92 - (0)? - / - / - 0
96bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
97bsu0434022 38% 0.475 PF02776 C7_S191 - (67)7 - / 2 / 3 3
98bsu0809038 40% 0.542 PF02852 C2_S191 - (71)5 26 / - / 1 1
99bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
100bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8

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