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]
150PA293431 99% 0.556 PF00561 C1_S137 - (0)12 - / 2 / 13 1
151PA522428 49% 0.540 PF00557 C2_S131 - (1)12 - / 3 / 6 1
152PA435851 60% 0.545 PF07670 C9_S166 - (0)12 5 / 27 / 10 8
153PA551432 44% 0.598 PF00905 C3_S146 - (0)12 - / - / 10 4
154PA344745 39% 0.499 PF00005 C1_S130 - (0)12 - / 7 / 18 6
155PA239043 48% 0.549 PF08402 C3_S130 - (0)11 - / 18 / 11 6
156PA554622 39% 0.560 PF02353 C2_S185 - (41)11 - / 17 / 7 1
157PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
158PA444417 73% 0.602 PF00062 C3_S128 - (0)11 - / 2 / 4 3
159PA491321 55% 0.563 PF13458 C1_S130 - (0)11 - / - / 8 5
160PA297826 49% 0.467 PF01451 C9_S122 - (2)11 - / - / 14 4
161PA509448 40% 0.565 PF08402 C1_S133 - (0)11 - / 3 / 27 6
162PA230020 71% 0.567 PF00704 C1_S171 - (0)11 2 / 1 / 8 3
163PA338441 39% 0.495 PF00005 C1_S134 - (0)11 - / 13 / 15 5
164PA452440 57% 0.581 PF02749 C3_S145 - (27)11 - / - / 23 3
165PA549396 63% 0.557 PF00476 C4_S1244 - (172)11 37 / 30 / 13 1
166PA361739 77% 0.542 PF00154 C1_S132 - (0)11 - / 16 / 8 5
167PA089232 70% 0.581 PF00005 C1_S131 - (0)11 - / 11 / 11 6
168PA040032 66% 0.648 PF01053 C1_S126 - (20)11 - / 2 / 11 5
169PA353843 43% 0.447 PF08402 C1_S139 - (0)11 - / 18 / 4 5
170PA478635 51% 0.559 PF00106 C2_S148 - (37)11 1 / 9 / 4 2
171PA351435 42% 0.527 PF08402 C1_S130 - (0)11 - / 8 / 15 6
172PA287622 64% 0.704 PF00215 C3_S139 - (24)11 - / 13 / 4 3
173PA374325 66% 0.613 PF01746 C5_S126 - (16)11 - / 20 / 1 5
174PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
175PA230840 41% 0.488 PF00005 C1_S126 - (0)11 - / 4 / 20 6
176PA210447 39% 0.569 PF00291 C3_S169 - (56)11 - / 4 / 22 6
177PA364432 100% 0.628 PF00132 C3_S143 - (24)11 - / 2 / 15 6
178PA415841 35% 0.595 PF00005 C1_S133 - (0)11 - / - / 22 6
179PA466926 55% 0.497 PF00288 C1_S155 - (42)11 - / 5 / 7 6
180PA094439 59% 0.635 PF00551 C5_S1114 - (3)11 1 / 8 / 7 3
181PA101331 73% 0.488 PF01259 C2_S155 - (42)11 - / 15 / 12 5
182PA026639 74% 0.642 PF00202 C1_S164 - (41)11 - / 2 / 15 5
183PA229437 45% 0.524 PF08402 C1_S135 - (0)11 - / - / 16 5
184PA502528 56% 0.515 PF01053 C1_S123 - (19)11 - / 1 / 10 5
185PA360741 51% 0.523 PF08402 C2_S132 - (0)11 - / 8 / 13 5
186PA375120 68% 0.565 PF02222 C3_S159 - (43)11 - / 6 / 14 5
187PA060339 47% 0.487 PF08402 C1_S145 - (0)11 - / 6 / 13 5
188PA532171 70% 0.462 PF00692 C4_S1108 - (90)11 - / - / 35 4
189PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
190PA492036 100% 0.623 PF02540 C6_S150 - (49)11 1 / 11 / 14 4
191PA274030 100% 0.499 PF01409 C2_S118 - (13)11 2 / 7 / 6 9
192PA065124 52% 0.585 PF00218 C2_S121 - (7)10 - / 5 / 4 5
193PA297933 100% 0.503 PF02348 C1_S154 - (42)10 - / 11 / 10 4
194PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
195PA219730 46% 0.511 PF00107 C2_S154 - (38)10 - / 9 / 4 1
196PA227522 56% 0.552 PF00107 C1_S140 - (28)10 7 / 2 / 3 3
197PA296622 88% 0.801 PF00550 C4_S111 - (0)10 - / - / 6 4
198PA469420 100% 0.637 PF00670 C3_S134 - (24)10 4 / 1 / 4 3
199PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
200PA255530 33% 0.493 PF13193 C4_S193 - (57)10 - / 17 / 6 5

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