Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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]
300gbs092120 61% 0.548 PF01641 C6_S113 - (0)4 - / - / 6 1
301gbs150318 42% 0.476 PF02852 C2_S144 - (30)1 2 / - / - 1
302gbs004720 76% 0.576 PF00206 C3_S119 - (9)3 - / - / 3 1
303gbs032717 40% 0.509 PF00696 C1_S123 - (8)3 - / - / 1 1
304gbs067328 47% 0.617 PF01081 C2_S130 - (26)4 - / - / 10 1
305gbs146110 31% 0.477 PF08245 C2_S121 - (13)1 - / - / 1 1
306gbs163619 58% 0.530 PF00155 C1_S141 - (25)2 - / - / 6 1
307gbs205214 44% 0.535 PF08676 C1_S122 - (0)2 6 / - / - 1
308gbs083622 87% 0.571 PF00268 C4_S16 - (0)2 - / - / 1 1
309gbs056525 39% 0.528 PF08402 C1_S115 - (0)2 - / - / 5 1
310gbs076817 39% 0.460 PF00677 C3_S122 - (21)1 - / 1 / 1 1
311gbs210920 54% 0.612 PF00005 C1_S150 - (0)2 - / - / 1 1
312gbs144326 39% 0.516 PF00266 C1_S146 - (35)5 - / - / 14 1
313gbs199118 99% 0.577 PF00583 C1_S135 - (0)2 - / - / 2 1
314gbs088715 62% 0.453 PF00583 C2_S144 - (24)2 1 / - / 2 1
315gbs151020 29% 0.396 PF00400 C1_S145 - (0)1 - / - / 1 1
316gbs095513 51% 0.545 PF13932 C1_S152 - (32)2 4 / - / - 1
317gbs172923 52% 0.554 PF01648 C6_S135 - (22)3 - / - / 5 1
318gbs046120 42% 0.507 PF03079 C2_S110 - (0)1 - / - / 1 1
319gbs171820 77% 0.572 PF00857 C5_S130 - (0)4 - / - / 5 1
320gbs208821 41% 0.571 PF08402 C1_S125 - (0)1 - / - / 1 1
321gbs166619 35% 0.427 PF00271 C3_S15 - (0)1 - / - / 1 1
322gbs054819 69% 0.599 PF02645 C4_S128 - (0)2 - / 2 / - 1
323gbs116317 36% 0.442 PF01928 C3_S115 - (0)2 - / - / 3 1
324gbs201222 83% 0.524 PF13603 C1_S117 - (0)4 - / 4 / 1 1
325gbs035419 46% 0.577 PF00583 C2_S140 - (0)3 6 / 1 / - 1
326gbs161921 55% 0.549 PF01842 C1_S145 - (37)2 1 / - / 1 1
327gbs117921 63% 0.620 PF02873 C3_S156 - (44)2 7 / - / 1 1
328gbs046818 98% 0.708 PF00440 C1_S118 - (0)2 - / - / 6 1
329gbs012620 57% 0.574 PF00056 C3_S167 - (56)2 3 / 2 / - 1
330gbs210117 50% 0.442 PF13932 C1_S124 - (19)2 2 / - / - 1
331gbs011627 56% 0.712 PF05025 C1_S126 - (0)6 - / - / 10 1
332gbs13994 34% 0.446 PF01877 C7_S14 - (2)2 - / - / 1 1
333gbs193010 60% 0.602 PF00258 C3_S138 - (35)2 3 / - / - 1
334gbs158920 83% 0.611 PF01297 C7_S14 - (0)1 - / - / 1 1
335gbs186620 37% 0.559 PF01207 C4_S143 - (32)1 - / 3 / - 1
336gbs05119 33% 0.487 PF04055 C2_S147 - (13)2 - / 4 / 1 1
337gbs150812 44% 0.497 PF02446 C4_S117 - (10)3 - / - / 2 1
338gbs082119 38% 0.551 PF01479 C7_S117 - (0)4 - / - / 1 1
339gbs189212 99% 0.624 PF02502 C4_S119 - (0)1 - / - / 1 1
340gbs011321 47% 0.594 PF13407 C2_S138 - (0)2 - / - / 11 1
341gbs116720 100% 0.723 PF06971 C6_S133 - (0)2 4 / 1 / - 1
342gbs154120 38% 0.441 PF01479 C3_S120 - (0)4 - / - / 1 1
343gbs093022 58% 0.628 PF00365 C6_S113 - (12)3 - / 3 / 1 1
344gbs108120 76% 0.637 PF00156 C2_S132 - (19)3 - / - / 3 1
345gbs03539 55% 0.493 PF00004 C3_S112 - (0)2 - / 5 / - 1
346gbs211021 55% 0.510 PF00005 C1_S184 - (0)1 - / - / 1 1
347gbs133520 56% 0.576 PF02502 C7_S126 - (0)7 - / - / 2 1
348gbs173120 58% 0.465 PF07516 C3_S113 - (0)2 - / 1 / 3 1
349gbs153815 62% 0.565 PF02073 C5_S14 - (0)4 - / - / 2 1
350gbs173519 29% 0.399 PF00251 C2_S152 - (16)1 - / - / 1 1

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