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]
150PA274422 66% 0.521 PF07973 C1_S126 - (11)14 4 / 12 / 3 7
151PA420220 100% 0.630 PF01180 C2_S192 - (55)2 4 / 6 / - 1
152PA313816 61% 0.519 PF00271 C3_S125 - (0)3 4 / 3 / 1 0
153PA441820 100% 0.594 PF00905 C1_S125 - (0)7 4 / 2 / 2 3
154PA227220 50% 0.522 PF00905 C2_S135 - (0)7 4 / 2 / 1 3
155PA361425 42% 0.599 PF07521 C2_S117 - (0)3 4 / 2 / 1 0
156PA354214 99% 0.693 PF07238 C6_S114 - (0)2 4 / 2 / - 1
157PA095620 56% 0.515 PF00587 C1_S139 - (30)4 4 / 2 / - 2
158PA469420 100% 0.637 PF00670 C3_S134 - (24)10 4 / 1 / 4 3
159PA150024 62% 0.551 PF03446 C2_S124 - (14)4 4 / 1 / - 3
160PA289221 54% 0.623 PF00106 C1_S161 - (34)7 4 / - / 4 2
161PA356921 62% 0.578 PF03446 C1_S128 - (19)4 4 / - / 4 2
162PA074320 100% 0.591 PF03446 C2_S132 - (20)3 4 / - / 3 1
163PA214220 57% 0.529 PF00106 C1_S187 - (65)4 4 / - / 2 1
164PA331224 41% 0.573 PF03446 C2_S115 - (0)3 4 / - / 1 1
165PA397220 48% 0.445 PF02771 C2_S146 - (34)3 4 / - / 1 2
166PA055914 51% 0.557 PF02910 C2_S124 - (18)2 4 / - / - 2
167PA351120 39% 0.562 PF00106 C1_S1112 - (90)2 4 / - / - 1
168PA137520 100% 0.625 PF02826 C4_S142 - (34)2 4 / - / - 1
169PA255020 59% 0.509 PF02771 C1_S148 - (37)2 4 / - / - 1
170PA359320 35% 0.425 PF02771 C2_S154 - (41)3 4 / - / - 1
171PA472016 50% 0.518 PF05958 C1_S124 - (16)2 4 / - / - 1
172PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
173PA490146 63% 0.596 PF02776 C6_S152 - (24)9 3 / 26 / 3 4
174PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
175PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
176PA374645 78% 0.548 PF02978 C7_S162 - (0)13 3 / 14 / 13 4
177PA526015 72% 0.579 PF03900 C9_S15 - (0)4 3 / 11 / 1 2
178PA501736 52% 0.530 PF00072 C1_S132 - (0)6 3 / 9 / 5 2
179PA118727 48% 0.494 PF02771 C2_S178 - (61)5 3 / 9 / 2 3
180PA092322 49% 0.575 PF11798 C3_S1330 - (291)14 3 / 6 / 20 7
181PA311725 100% 0.546 PF02774 C4_S138 - (15)13 3 / 6 / 6 5
182PA441114 61% 0.651 PF08245 C1_S144 - (25)7 3 / 5 / - 3
183PA452920 52% 0.669 PF01121 C5_S128 - (19)7 3 / 4 / 2 3
184PA312920 43% 0.608 PF07992 C6_S138 - (19)2 3 / 4 / 1 1
185PA261717 51% 0.612 PF03588 C8_S120 - (0)10 3 / 3 / 8 3
186PA281820 39% 0.481 PF00196 C6_S119 - (0)6 3 / 3 / 2 2
187PA529522 44% 0.515 PF00072 C2_S133 - (0)4 3 / 3 / 1 2
188PA514121 35% 0.735 PF00977 C3_S130 - (4)7 3 / 2 / 4 4
189PA376722 49% 0.574 PF00383 C5_S141 - (9)2 3 / 2 / 2 0
190PA545322 100% 0.536 PF01370 C1_S163 - (54)4 3 / 2 / - 2
191PA419920 39% 0.335 PF02771 C1_S144 - (30)5 3 / 2 / - 2
192PA102415 100% 0.633 PF01070 C4_S124 - (16)2 3 / 1 / - 1
193PA316119 84% 0.703 PF00216 C5_S160 - (0)1 3 / - / 6 0
194PA218823 41% 0.490 PF00107 C1_S154 - (37)2 3 / - / 3 2
195PA514520 50% 0.573 PF01266 C1_S147 - (32)3 3 / - / 1 2
196PA534920 100% 0.597 PF07992 C1_S181 - (54)2 3 / - / - 1
197PA076122 64% 0.584 PF02910 C2_S155 - (51)3 3 / - / - 1
198PA338724 100% 0.523 PF00106 C1_S180 - (59)4 3 / - / - 1
199PA010619 54% 0.404 PF00115 C2_S125 - (0)2 3 / - / - 1
200PA443420 54% 0.514 PF00248 C2_S134 - (24)5 3 / - / - 1

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