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]
150PA322866 48% 0.357 PF00005 C3_S160 - (60)8 - / 38 / 12 5
151PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
152PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
153PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
154PA028038 52% 0.546 PF08402 C1_S135 - (0)10 - / 9 / 12 5
155PA058022 69% 0.579 PF00814 C2_S127 - (25)8 - / 12 / 2 5
156PA060339 47% 0.487 PF08402 C1_S145 - (0)11 - / 6 / 13 5
157PA338441 39% 0.495 PF00005 C1_S134 - (0)11 - / 13 / 15 5
158PA554927 64% 0.572 PF01380 C1_S115 - (14)10 - / - / 11 5
159PA311725 100% 0.546 PF02774 C4_S138 - (15)13 3 / 6 / 6 5
160PA533634 62% 0.527 PF00625 C4_S157 - (33)13 4 / 15 / 9 5
161PA441040 57% 0.628 PF01820 C1_S194 - (69)12 - / 12 / 15 5
162PA318746 48% 0.580 PF08402 C2_S137 - (0)10 - / 18 / 8 5
163PA515231 62% 0.639 PF08402 C1_S138 - (0)10 - / 17 / 6 5
164PA502528 56% 0.515 PF01053 C1_S123 - (19)11 - / 1 / 10 5
165PA395731 39% 0.583 PF00106 C1_S1133 - (90)8 2 / 3 / 11 5
166PA089544 65% 0.586 PF00202 C1_S159 - (40)9 - / 4 / 16 5
167PA133931 59% 0.594 PF08402 C1_S127 - (0)10 - / 15 / 7 5
168PA368694 66% 0.647 PF05191 C2_S1143 - (130)12 59 / 30 / 2 5
169PA065124 52% 0.585 PF00218 C2_S121 - (7)10 - / 5 / 4 5
170PA374325 66% 0.613 PF01746 C5_S126 - (16)11 - / 20 / 1 5
171PA511080 44% 0.507 PF00316 C7_S178 - (75)8 - / - / 68 5
172PA111346 46% 0.488 PF00005 C2_S150 - (50)9 - / 26 / 7 5
173PA360741 51% 0.523 PF08402 C2_S132 - (0)11 - / 8 / 13 5
174PA026639 74% 0.642 PF00202 C1_S164 - (41)11 - / 2 / 15 5
175PA353843 43% 0.447 PF08402 C1_S139 - (0)11 - / 18 / 4 5
176PA375120 68% 0.565 PF02222 C3_S159 - (43)11 - / 6 / 14 5
177PA030239 51% 0.483 PF08402 C1_S138 - (0)10 - / 6 / 13 5
178PA348220 64% 0.594 PF01588 C1_S120 - (9)6 - / 2 / 5 5
179PA361739 77% 0.542 PF00154 C1_S132 - (0)11 - / 16 / 8 5
180PA375923 43% 0.628 PF01380 C4_S118 - (15)10 - / - / 9 5
181PA542528 55% 0.486 PF02222 C2_S145 - (37)8 - / 12 / 11 5
182PA421021 64% 0.566 PF12680 C2_S159 - (1)14 - / - / 17 5
183PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5
184PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
185PA179420 100% 0.552 PF03950 C2_S126 - (22)8 - / 10 / 1 5
186PA189921 65% 0.566 PF12680 C3_S155 - (1)14 - / - / 17 5
187PA490146 63% 0.596 PF02776 C6_S152 - (24)9 3 / 26 / 3 4
188PA165426 40% 0.553 PF00155 C1_S158 - (30)19 7 / 2 / 14 4
189PA356820 41% 0.568 PF13193 C3_S183 - (57)8 - / 15 / 9 4
190PA048217 70% 0.560 PF01274 C3_S19 - (4)4 - / - / 4 4
191PA311841 65% 0.614 PF00180 C8_S154 - (45)15 - / 9 / 24 4
192PA235039 47% 0.468 PF00005 C1_S127 - (0)7 - / 4 / 15 4
193PA492321 47% 0.535 PF03641 C2_S119 - (4)8 - / - / 7 4
194PA444222 36% 0.505 PF03143 C5_S125 - (0)5 - / 7 / 2 4
195PA078232 51% 0.507 PF00171 C3_S140 - (0)13 11 / 2 / 6 4
196PA296622 88% 0.801 PF00550 C4_S111 - (0)10 - / - / 6 4
197PA390331 68% 0.540 PF03143 C1_S154 - (0)7 - / 8 / 9 4
198PA551432 44% 0.598 PF00905 C3_S146 - (0)12 - / - / 10 4
199PA014330 42% 0.610 PF01156 C5_S145 - (27)9 - / - / 22 4
200PA244482 72% 0.604 PF00464 C1_S1110 - (56)16 - / 2 / 58 4

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