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]
100bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
101bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
102bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
103bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
104bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6
105bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
106bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
107bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
108bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
109bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
110bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
111bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
112bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
113bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
114bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
115bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
116bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
117bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
118bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
119bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
120bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
121bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
122bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
123bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
124bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
125bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
126bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
127bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
128bsu3395018 100% 0.633 PF04198 C3_S136 - (15)8 - / - / 9 5
129bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
130bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
131bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5
132bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
133bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
134bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
135bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
136bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
137bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
138bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
139bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
140bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
141bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
142bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
143bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
144bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
145bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
146bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
147bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
148bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
149bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
150bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5

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