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]
150bsu0642036 80% 0.612 PF00731 C7_S133 - (26)12 - / 1 / 16 4
151bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
152bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
153bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
154bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
155bsu3479043 71% 0.511 PF07992 C3_S1113 - (96)12 6 / 19 / 7 3
156bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
157bsu0588020 77% 0.551 PF02156 C1_S146 - (22)12 - / - / 5 2
158bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
159bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
160bsu1025023 47% 0.584 PF03099 C2_S127 - (17)12 3 / 2 / 13 3
161bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
162bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
163bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
164bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
165bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
166bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
167bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
168bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
169bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
170bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
171bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
172bsu1142032 100% 0.575 PF00579 C4_S135 - (24)11 4 / 3 / 6 3
173bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
174bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
175bsu1592035 100% 0.792 PF00550 C7_S138 - (0)11 - / - / 8 2
176bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
177bsu2909071 69% 0.537 PF00476 C4_S1184 - (118)11 37 / 18 / 8 0
178bsu2956017 37% 0.541 PF13193 C4_S170 - (15)11 - / 2 / 5 3
179bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
180bsu0146048 54% 0.582 PF00005 C1_S145 - (0)11 - / 1 / 33 5
181bsu0668030 64% 0.471 PF01425 C3_S152 - (0)11 - / - / 8 1
182bsu2759037 55% 0.552 PF02580 C10_S123 - (0)11 - / 3 / 9 1
183bsu1377034 57% 0.624 PF00106 C1_S1102 - (56)11 2 / 4 / 6 3
184bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
185bsu0053032 53% 0.622 PF01195 C6_S115 - (0)11 - / 1 / 6 4
186bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
187bsu3567022 53% 0.488 PF00483 C1_S166 - (52)10 - / 11 / 5 3
188bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
189bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
190bsu1555021 100% 0.871 PF00215 C2_S139 - (26)10 - / 12 / 2 3
191bsu2382032 100% 0.686 PF00724 C2_S1178 - (105)10 2 / 8 / 10 3
192bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
193bsu1122051 45% 0.565 PF00202 C1_S155 - (34)10 - / 4 / 21 3
194bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
195bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
196bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
197bsu1385031 41% 0.509 PF00403 C1_S114 - (0)10 - / 7 / 2 3
198bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
199bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
200bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6

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