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]
150PA230840 41% 0.488 PF00005 C1_S126 - (0)11 - / 4 / 20 6
151PA255240 76% 0.489 PF02771 C2_S165 - (54)8 11 / 13 / 5 4
152PA426940 75% 0.443 PF04998 C6_S160 - (0)0 - / 2 / 14 0
153PA452440 57% 0.581 PF02749 C3_S145 - (27)11 - / - / 23 3
154PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
155PA441040 57% 0.628 PF01820 C1_S194 - (69)12 - / 12 / 15 5
156PA511139 58% 0.504 PF00903 C1_S145 - (0)16 - / - / 32 6
157PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
158PA039939 43% 0.487 PF00291 C2_S147 - (33)7 - / 2 / 17 3
159PA053039 40% 0.507 PF00202 C1_S171 - (35)9 - / 1 / 17 7
160PA060339 47% 0.487 PF08402 C1_S145 - (0)11 - / 6 / 13 5
161PA030239 51% 0.483 PF08402 C1_S138 - (0)10 - / 6 / 13 5
162PA026639 74% 0.642 PF00202 C1_S164 - (41)11 - / 2 / 15 5
163PA497639 39% 0.555 PF00155 C1_S153 - (39)14 - / 1 / 32 3
164PA235039 47% 0.468 PF00005 C1_S127 - (0)7 - / 4 / 15 4
165PA158739 99% 0.672 PF02852 C2_S158 - (53)3 33 / - / - 1
166PA503839 59% 0.567 PF01202 C4_S159 - (55)6 11 / 8 / 11 2
167PA420139 46% 0.489 PF01820 C1_S183 - (57)12 - / 13 / 15 4
168PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
169PA164939 43% 0.531 PF00106 C1_S181 - (68)6 16 / 8 / 2 2
170PA094439 59% 0.635 PF00551 C5_S1114 - (3)11 1 / 8 / 7 3
171PA503939 51% 0.572 PF01202 C1_S190 - (78)12 - / 19 / 10 7
172PA361739 77% 0.542 PF00154 C1_S132 - (0)11 - / 16 / 8 5
173PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
174PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
175PA445838 76% 0.549 PF08282 C3_S123 - (3)9 - / - / 5 2
176PA438938 45% 0.561 PF00106 C1_S192 - (64)19 9 / 4 / 5 5
177PA464638 69% 0.545 PF00156 C6_S151 - (44)8 - / 5 / 16 4
178PA456938 52% 0.627 PF00348 C1_S152 - (29)18 - / - / 26 10
179PA499438 36% 0.516 PF02771 C2_S165 - (52)8 5 / 15 / 1 3
180PA028038 52% 0.546 PF08402 C1_S135 - (0)10 - / 9 / 12 5
181PA020638 45% 0.534 PF08402 C1_S126 - (0)10 - / 10 / 8 5
182PA319538 68% 0.511 PF00044 C4_S130 - (22)3 12 / 6 / 2 2
183PA333138 43% 0.629 PF00067 C4_S1159 - (0)4 31 / - / - 1
184PA458737 100% 0.512 PF00034 C2_S149 - (38)6 34 / 2 / 1 2
185PA524037 76% 0.779 PF00085 C1_S132 - (0)5 - / - / 12 1
186PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
187PA148737 39% 0.516 PF00370 C1_S160 - (57)12 - / - / 15 4
188PA229437 45% 0.524 PF08402 C1_S135 - (0)11 - / - / 16 5
189PA406137 48% 0.707 PF00085 C3_S132 - (0)5 - / - / 8 0
190PA493037 40% 0.445 PF01168 C4_S163 - (57)15 - / 6 / 16 4
191PA032637 43% 0.553 PF08402 C2_S129 - (0)10 - / 11 / 6 5
192PA201537 74% 0.460 PF02771 C2_S158 - (48)3 5 / 14 / - 2
193PA393737 42% 0.564 PF08402 C1_S127 - (0)10 - / 3 / 14 5
194PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
195PA019337 81% 0.597 PF02668 C7_S162 - (42)8 - / - / 24 4
196PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
197PA045537 46% 0.632 PF00271 C4_S157 - (0)10 - / 5 / 12 6
198PA352437 60% 0.460 PF00903 C1_S138 - (0)6 - / - / 14 1
199PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
200PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20

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