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]
150PA537320 100% 0.536 PF00171 30 - (0)1 - / - / - 0
151PA532327 100% ? PF00696 C1_S145 - (40)7 - / 2 / 14 4
152PA054821 100% 0.602 PF00456 C1_S14 - (4)1 - / - / 1 1
153PA527919 100% 0.596 PF00233 11 - (3)1 - / - / - 0
154PA380513 100% 0.598 PF00515 36 - (0)? - / - / - 0
155PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
156PA378713 100% 0.610 PF01551 2 - (0)? - / - / - 0
157PA544520 100% 0.550 PF02550 1 - (0)? - / - / - 0
158PA198225 100% 0.654 PF01011 C2_S141 - (24)2 - / 10 / - 1
159PA00948 100% 0.637 PF00072 C5_S14 - (0)2 - / - / 4 1
160PA534920 100% 0.597 PF07992 C1_S181 - (54)2 3 / - / - 1
161PA419014 100% 0.597 PF01593 C1_S196 - (61)2 1 / - / 1 1
162PA08457 100% 0.483 PF04734 9 - (0)3 - / - / - 0
163PA492220 100% 0.620 PF00127 0 - (0)? - / - / - 0
164PA013220 100% 0.608 PF00202 C1_S118 - (12)? - / - / 1 0
165PA441820 100% 0.594 PF00905 C1_S125 - (0)7 4 / 2 / 2 3
166PA529218 100% 0.655 PF00702 6 - (0)? - / - / - 0
167PA420920 100% 0.546 PF00891 42 - (31)? - / - / - 0
168PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5
169PA345520 100% 0.610 PF01712 11 - (6)1 - / - / - 0
170PA524327 100% 0.824 PF00490 C10_S128 - (18)13 - / - / 12 3
171PA183619 100% 0.554 PF00440 19 - (0)? - / - / - 0
172PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
173PA178917 100% 0.551 PF00582 19 - (0)? - / - / - 0
174PA119520 100% 0.884 PF02274 C3_S117 - (12)12 - / - / 10 7
175PA072315 100% 0.231 PF05356 0 - (0)? - / - / - 0
176PA398317 100% 0.491 PF01595 C1_S121 - (0)3 - / 1 / 5 2
177PA498413 100% 0.648 PF00440 9 - (0)? - / - / - 0
178PA30987 100% 0.435 PF00114 0 - (0)? - / - / - 0
179PA184420 100% 0.583 PF00274 13 - (0)2 - / - / - 0
180PA300421 100% 0.622 PF01048 C3_S129 - (11)2 - / - / 2 0
181PA289020 100% 0.430 PF00378 0 - (0)? - / - / - 0
182PA423020 100% 0.569 PF01817 C2_S125 - (4)4 - / - / 7 1
183PA13493 100% 0.505 PF08334 1 - (0)? - / - / - 0
184PA45353 100% 0.518 PF03320 5 - (0)? - / - / - 0
185PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
186PA370219 100% 0.619 PF00486 C3_S147 - (0)2 - / - / 3 1
187PA354413 100% 0.266 PF13372 C6_S119 - (0)4 - / - / 5 0
188PA44606 100% 0.506 PF03968 0 - (0)? - / - / - 0
189PA074320 100% 0.591 PF03446 C2_S132 - (20)3 4 / - / 3 1
190PA437618 100% 0.646 PF04095 C1_S113 - (3)3 - / - / 2 1
191PA189816 100% 0.452 PF00196 21 - (0)? - / - / - 0
192PA32634 100% 0.565 PF04381 3 - (0)? - / - / - 0
193PA471520 100% 0.668 PF00155 C1_S140 - (29)4 - / - / 2 2
194PA327020 100% 0.509 PF13302 C1_S122 - (0)? - / 1 / - 0
195PA225516 100% 0.507 PF02668 32 - (20)? - / - / - 0
196PA33524 100% 0.669 PF00342 C3_S12 - (0)1 - / - / 2 1
197PA519811 100% 0.677 PF02016 C4_S131 - (0)2 - / - / 3 2
198PA504112 100% 0.511 PF02427 0 - (0)? - / - / - 0
199PA161829 100% 0.486 PF03061 C1_S138 - (0)8 - / - / 13 1
200PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11

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