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]
150bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
151bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
152bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
153bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
154bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
155bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
156bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
157bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
158bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5
159bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
160bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
161bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
162bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
163bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
164bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
165bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
166bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
167bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
168bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
169bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
170bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
171bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
172bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
173bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
174bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
175bsu0749030 34% 0.418 PF00005 C1_S119 - (0)7 - / 1 / 10 4
176bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
177bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
178bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
179bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
180bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
181bsu2507021 90% 0.685 PF04551 C1_S115 - (1)5 - / - / 7 4
182bsu1643021 55% 0.538 PF07194 C1_S117 - (0)7 - / - / 16 4
183bsu1800020 53% 0.589 PF00694 C3_S129 - (13)9 - / - / 5 4
184bsu1013020 100% 0.865 PF00762 C2_S124 - (3)8 2 / 2 / 3 4
185bsu3135020 81% 0.563 PF00342 C2_S110 - (8)5 - / - / 5 4
186bsu0053032 53% 0.622 PF01195 C6_S115 - (0)11 - / 1 / 6 4
187bsu3712021 79% 0.598 PF01116 C1_S118 - (11)7 - / - / 14 4
188bsu3327036 51% 0.588 PF08402 C1_S118 - (0)8 - / 12 / 2 4
189bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
190bsu3495020 59% 0.568 PF00295 C2_S137 - (0)9 - / - / 14 4
191bsu1439023 52% 0.498 PF00294 C1_S143 - (32)9 - / 1 / 8 4
192bsu3948036 54% 0.638 PF08402 C1_S120 - (0)7 - / 15 / 1 4
193bsu3275036 48% 0.530 PF08402 C1_S122 - (0)6 - / 4 / 12 4
194bsu2975056 76% 0.544 PF00793 C2_S174 - (74)8 - / - / 38 4
195bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
196bsu3253022 47% 0.542 PF01546 C1_S114 - (0)5 - / - / 5 4
197bsu3344073 46% 0.544 PF00175 C2_S1106 - (90)8 37 / 15 / 1 4
198bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
199bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
200bsu3435017 36% 0.501 PF02719 C1_S157 - (55)8 12 / 2 / 2 4

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