Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 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]
150PA19439 38% 0.485 PF00583 92 - (26)? - / - / - 0
151PA029130 100% 0.353 PF00267 C5_S192 - (0)2 - / - / 3 0
152PA316330 61% 0.653 PF02224 C2_S192 - (81)13 - / 16 / 8 6
153PA316853 76% 0.532 PF00521 C3_S192 - (0)7 - / 4 / 39 1
154PA420220 100% 0.630 PF01180 C2_S192 - (55)2 4 / 6 / - 1
155PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
156PA498621 34% 0.523 PF00724 91 - (53)0 - / - / - 0
157PA288720 41% 0.548 PF00106 C1_S191 - (59)1 - / - / 1 1
158PA291820 48% 0.581 PF00106 91 - (47)? - / - / - 0
159PA440018 53% 0.678 PF00293 C2_S190 - (49)8 - / 2 / 3 3
160PA153524 53% 0.563 PF02771 C1_S190 - (76)6 - / 7 / 6 3
161PA503939 51% 0.572 PF01202 C1_S190 - (78)12 - / 19 / 10 7
162PA251520 38% 0.593 PF00106 89 - (63)? - / - / - 0
163PA224320 33% 0.564 PF00890 88 - (59)? - / - / - 0
164PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
165PA153820 30% 0.498 PF02852 C1_S188 - (64)2 2 / - / - 2
166PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
167PA358828 99% 0.237 PF00267 C10_S188 - (0)1 - / - / 5 0
168PA214220 57% 0.529 PF00106 C1_S187 - (65)4 4 / - / 2 1
169PA210820 37% 0.543 PF02776 87 - (58)? - / - / - 0
170PA314618 33% 0.470 PF01370 87 - (70)? - / - / - 0
171PA209720 36% 0.496 PF02852 86 - (64)? - / - / - 0
172PA321726 100% 0.675 PF00211 C3_S186 - (66)6 - / 2 / 23 2
173PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
174PA453819 45% 0.457 PF07992 C1_S186 - (55)2 - / 2 / - 1
175PA155412 84% 0.380 PF00115 86 - (0)? - / - / - 0
176PA139349 50% 0.728 PF14306 C4_S186 - (76)12 - / 42 / 3 7
177PA372333 58% 0.598 PF00724 C4_S185 - (41)12 1 / 1 / 10 1
178PA256618 29% 0.402 PF07992 85 - (49)? - / - / - 0
179PA533221 100% 0.566 PF03372 C3_S185 - (1)1 - / - / 1 0
180PA554622 39% 0.560 PF02353 C2_S185 - (41)11 - / 17 / 7 1
181PA483228 58% 0.636 PF00106 C2_S185 - (52)5 - / 5 / 2 1
182PA251619 53% 0.533 PF00175 C2_S185 - (51)6 2 / - / 4 0
183PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
184PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
185PA288925 39% 0.549 PF02771 C2_S184 - (69)5 - / 5 / - 3
186PA556515 72% 0.500 PF01266 C3_S184 - (65)2 2 / - / - 1
187PA249817 58% 0.716 PF07647 84 - (0)? - / - / - 0
188PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
189PA040320 47% 0.595 PF00156 83 - (33)? - / - / - 0
190PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
191PA420139 46% 0.489 PF01820 C1_S183 - (57)12 - / 13 / 15 4
192PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
193PA483720 30% 0.143 PF00593 83 - (0)? - / - / - 0
194PA356820 41% 0.568 PF13193 C3_S183 - (57)8 - / 15 / 9 4
195PA346916 47% 0.388 PF01872 83 - (31)5 - / - / - 0
196PA421620 100% 0.583 PF01243 C1_S182 - (27)3 - / 5 / 3 1
197PA190520 100% 0.585 PF01243 C1_S182 - (27)3 - / 5 / 3 1
198PA132220 50% 0.137 PF00593 82 - (0)? - / - / - 0
199PA443532 55% 0.499 PF02771 C2_S182 - (67)7 6 / 5 / 2 3
200PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5

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