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]
200SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
201SA184620 32% 0.472 PF00251 C3_S154 - (25)7 - / - / 4 2
202SA004710 35% 0.425 PF08241 53 - (29)? - / - / - 0
203SA149719 59% 0.532 PF01926 C2_S153 - (0)3 - / 6 / - 2
204SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
205SA236218 38% 0.455 PF01370 53 - (38)? - / - / - 0
206SA097813 99% 0.549 PF05031 C3_S152 - (0)3 1 / - / 3 1
207SA216217 42% 0.435 PF07992 52 - (43)? - / - / - 0
208SA231226 37% 0.539 PF02826 C1_S152 - (44)5 2 / 3 / 7 1
209SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
210SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
211SA038120 97% 0.658 PF05368 52 - (37)? - / - / - 0
212SA054713 37% 0.599 PF00288 C2_S152 - (36)5 - / - / 3 0
213SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
214SA153824 39% 0.548 PF00266 C1_S152 - (39)8 - / - / 18 1
215SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
216SA202147 45% 0.463 PF00005 C1_S152 - (0)14 - / 3 / 25 7
217SA022920 99% 0.414 PF00496 C3_S152 - (0)3 - / - / 5 1
218SA084239 100% 0.545 PF08541 C2_S152 - (30)13 - / 5 / 12 2
219SA055120 31% 0.489 PF02852 C1_S152 - (50)1 1 / - / - 1
220SA221313 32% 0.430 PF04055 C4_S152 - (15)2 - / - / 3 1
221SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
222SA071517 92% 0.531 PF02603 C5_S151 - (40)3 - / - / 2 0
223SA077620 49% 0.592 PF00266 C1_S151 - (37)9 - / - / 13 2
224SA200821 52% 0.515 PF02776 C6_S151 - (18)6 - / - / 4 2
225SA054829 99% 0.442 PF00288 C1_S151 - (27)14 - / 13 / 4 3
226SA240522 34% 0.497 PF00732 C3_S151 - (40)2 2 / - / - 1
227SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
228SA032813 44% 0.428 PF03358 51 - (43)? - / - / - 0
229SA165020 47% 0.565 PF01593 C2_S151 - (27)4 5 / - / 2 1
230SA146127 52% 0.530 PF00156 C2_S151 - (37)7 - / 3 / 12 4
231SA187427 100% 0.573 PF01168 C1_S151 - (40)6 - / 5 / 15 3
232SA136815 40% 0.586 PF01202 C1_S151 - (41)6 - / - / 3 2
233SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
234SA152711 32% 0.508 PF00571 50 - (44)? - / - / - 0
235SA090615 43% 0.380 PF00583 C1_S150 - (33)1 - / - / 1 0
236SA064630 36% 0.501 PF03441 C3_S150 - (39)5 13 / 2 / - 1
237SA022620 30% 0.558 PF13193 C2_S150 - (20)3 1 / 1 / 1 3
238SA221519 30% 0.436 PF01656 C1_S150 - (43)3 - / - / 5 1
239SA091527 49% 0.672 PF02882 C5_S149 - (41)14 2 / 18 / 8 5
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
243SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
244SA171621 100% 0.488 PF01425 C5_S149 - (0)3 - / - / 3 2
245SA245214 46% 0.364 PF01613 48 - (0)? - / - / - 0
246SA235518 100% 0.598 PF00583 48 - (16)1 - / - / - 0
247SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17
248SA142518 53% 0.610 PF01926 C7_S148 - (0)5 - / 7 / 5 3
249SA199627 56% 0.522 PF02502 C7_S148 - (36)11 - / - / 2 1
250SA157017 36% 0.421 PF01636 C2_S148 - (28)1 - / - / 1 0

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