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]
200SA023427 45% 0.561 PF01156 C4_S159 - (30)9 - / - / 19 4
201SA090226 36% 0.565 PF00155 C1_S143 - (32)9 - / 1 / 19 3
202SA083726 33% 0.480 PF00682 C1_S125 - (16)9 - / - / 7 1
203SA242536 54% 0.601 PF00696 C5_S146 - (20)9 - / 8 / 14 2
204SA118949 100% 0.484 PF00521 C3_S192 - (0)8 - / 3 / 37 0
205SA158737 51% 0.547 PF00926 C7_S124 - (0)8 - / - / 20 3
206SA134840 39% 0.505 PF00676 C5_S133 - (24)8 - / 12 / 9 6
207SA186120 63% 0.419 PF07991 C4_S127 - (18)8 3 / 2 / 5 4
208SA137723 40% 0.531 PF00480 C1_S132 - (24)8 - / - / 6 4
209SA029518 49% 0.575 PF03767 C3_S118 - (1)8 - / - / 7 5
210SA085251 38% 0.479 PF00005 C1_S147 - (0)8 - / 2 / 31 5
211SA186420 35% 0.470 PF00694 C3_S133 - (13)8 - / - / 2 2
212SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
213SA153824 39% 0.548 PF00266 C1_S152 - (39)8 - / - / 18 1
214SA079321 46% 0.558 PF13193 C4_S164 - (32)8 - / 9 / 3 3
215SA084829 35% 0.415 PF08402 C1_S122 - (0)8 - / - / 8 4
216SA226624 38% 0.577 PF00106 C1_S185 - (59)8 7 / 2 / 4 2
217SA234426 50% 0.442 PF00702 C1_S117 - (0)8 - / 5 / 5 4
218SA034421 58% 0.526 PF01717 C2_S114 - (9)8 1 / - / 7 3
219SA061632 39% 0.479 PF08402 C1_S120 - (0)8 - / 5 / 9 3
220SA139120 99% 0.552 PF01807 C2_S114 - (0)8 - / 5 / 4 6
221SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
222SA053723 100% 0.563 PF08543 C2_S155 - (44)8 - / 14 / 3 2
223SA081851 70% 0.573 PF00202 C1_S174 - (54)8 - / 6 / 31 3
224SA095938 54% 0.485 PF03143 C3_S141 - (0)8 - / 21 / 12 4
225SA197423 36% 0.481 PF01704 C5_S142 - (32)8 2 / 12 / 3 3
226SA172918 59% 0.516 PF02057 C2_S140 - (5)8 - / - / 5 3
227SA223520 100% 0.529 PF04069 C3_S130 - (0)8 - / - / 1 1
228SA019826 40% 0.514 PF09383 C3_S114 - (0)8 - / - / 8 5
229SA020422 53% 0.584 PF02525 C2_S168 - (43)8 - / 15 / 2 2
230SA186220 62% 0.567 PF00682 C3_S122 - (13)8 - / - / 5 2
231SA060528 49% 0.546 PF02733 C6_S146 - (27)8 - / - / 8 1
232SA107325 99% 0.613 PF00698 C1_S115 - (11)8 - / - / 6 2
233SA199520 99% 0.543 PF00294 C2_S141 - (32)8 - / 5 / 4 3
234SA024120 62% 0.507 PF01128 C1_S131 - (24)8 - / 3 / 4 4
235SA095822 99% 0.633 PF00459 C4_S132 - (12)8 - / - / 1 1
236SA148720 34% 0.554 PF08245 C1_S124 - (14)8 - / 2 / 5 5
237SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
238SA154420 31% 0.528 PF00266 C1_S138 - (30)8 - / - / 4 1
239SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
240SA123224 42% 0.574 PF00278 C2_S136 - (32)8 - / 2 / 8 1
241SA082220 49% 0.437 PF00764 C5_S119 - (16)8 - / - / 7 3
242SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
243SA048220 30% 0.416 PF02807 C7_S126 - (22)8 - / - / 5 0
244SA101337 49% 0.608 PF00696 C2_S147 - (20)8 - / 8 / 14 2
245SA165120 62% 0.575 PF00762 C2_S124 - (4)7 2 / 2 / 2 4
246SA231725 100% 0.599 PF00583 C1_S132 - (0)7 2 / - / 5 2
247SA102423 38% 0.405 PF00905 C1_S125 - (0)7 - / - / 7 2
248SA146720 55% 0.508 PF05496 C2_S126 - (0)7 - / 10 / 5 3
249SA207024 52% 0.644 PF00994 C3_S115 - (0)7 - / - / 2 1
250SA122743 99% 0.643 PF00701 C3_S167 - (64)7 - / - / 5 0

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