Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 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]
200SA186347 54% 0.529 PF00180 C5_S154 - (47)15 - / 9 / 22 3
201SA100720 100% 0.596 PF07968 54 - (0)1 - / - / - 0
202SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
203SA004710 35% 0.425 PF08241 53 - (29)? - / - / - 0
204SA149719 59% 0.532 PF01926 C2_S153 - (0)3 - / 6 / - 2
205SA236218 38% 0.455 PF01370 53 - (38)? - / - / - 0
206SA054713 37% 0.599 PF00288 C2_S152 - (36)5 - / - / 3 0
207SA084239 100% 0.545 PF08541 C2_S152 - (30)13 - / 5 / 12 2
208SA231226 37% 0.539 PF02826 C1_S152 - (44)5 2 / 3 / 7 1
209SA153824 39% 0.548 PF00266 C1_S152 - (39)8 - / - / 18 1
210SA216217 42% 0.435 PF07992 52 - (43)? - / - / - 0
211SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
212SA022920 99% 0.414 PF00496 C3_S152 - (0)3 - / - / 5 1
213SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
214SA038120 97% 0.658 PF05368 52 - (37)? - / - / - 0
215SA097813 99% 0.549 PF05031 C3_S152 - (0)3 1 / - / 3 1
216SA221313 32% 0.430 PF04055 C4_S152 - (15)2 - / - / 3 1
217SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
218SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
219SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
220SA202147 45% 0.463 PF00005 C1_S152 - (0)14 - / 3 / 25 7
221SA055120 31% 0.489 PF02852 C1_S152 - (50)1 1 / - / - 1
222SA077620 49% 0.592 PF00266 C1_S151 - (37)9 - / - / 13 2
223SA032813 44% 0.428 PF03358 51 - (43)? - / - / - 0
224SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
225SA054829 99% 0.442 PF00288 C1_S151 - (27)14 - / 13 / 4 3
226SA146127 52% 0.530 PF00156 C2_S151 - (37)7 - / 3 / 12 4
227SA071517 92% 0.531 PF02603 C5_S151 - (40)3 - / - / 2 0
228SA136815 40% 0.586 PF01202 C1_S151 - (41)6 - / - / 3 2
229SA165020 47% 0.565 PF01593 C2_S151 - (27)4 5 / - / 2 1
230SA200821 52% 0.515 PF02776 C6_S151 - (18)6 - / - / 4 2
231SA240522 34% 0.497 PF00732 C3_S151 - (40)2 2 / - / - 1
232SA187427 100% 0.573 PF01168 C1_S151 - (40)6 - / 5 / 15 3
233SA152711 32% 0.508 PF00571 50 - (44)? - / - / - 0
234SA090615 43% 0.380 PF00583 C1_S150 - (33)1 - / - / 1 0
235SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
236SA022620 30% 0.558 PF13193 C2_S150 - (20)3 1 / 1 / 1 3
237SA221519 30% 0.436 PF01656 C1_S150 - (43)3 - / - / 5 1
238SA064630 36% 0.501 PF03441 C3_S150 - (39)5 13 / 2 / - 1
239SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
240SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
241SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
242SA140720 51% 0.500 PF02475 C1_S149 - (0)5 - / 3 / 2 0
243SA171621 100% 0.488 PF01425 C5_S149 - (0)3 - / - / 3 2
244SA091527 49% 0.672 PF02882 C5_S149 - (41)14 2 / 18 / 8 5
245SA245214 46% 0.364 PF01613 48 - (0)? - / - / - 0
246SA142518 53% 0.610 PF01926 C7_S148 - (0)5 - / 7 / 5 3
247SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
248SA014513 57% 0.577 PF02706 C1_S148 - (44)2 - / 2 / 2 1
249SA199627 56% 0.522 PF02502 C7_S148 - (36)11 - / - / 2 1
250SA065424 99% 0.497 PF00294 C1_S148 - (35)7 - / 2 / 6 3

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