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]
300gbs150812 44% 0.497 PF02446 C4_S117 - (10)3 - / - / 2 1
301gbs093022 58% 0.628 PF00365 C6_S113 - (12)3 - / 3 / 1 1
302gbs144220 45% 0.614 PF02926 C5_S112 - (9)3 - / 1 / 2 2
303gbs004720 76% 0.576 PF00206 C3_S119 - (9)3 - / - / 3 1
304gbs108120 76% 0.637 PF00156 C2_S132 - (19)3 - / - / 3 1
305gbs157321 35% 0.651 PF00005 C1_S142 - (41)3 - / 3 / - 2
306gbs014920 32% 0.500 PF00288 C1_S152 - (39)3 - / 2 / 1 2
307gbs11179 58% 0.673 PF00156 C2_S142 - (30)3 - / 2 / 2 2
308gbs077211 38% 0.359 PF13419 C1_S119 - (3)3 - / - / 3 0
309gbs08178 67% 0.525 PF02547 C4_S16 - (0)3 - / - / 6 2
310gbs206123 48% 0.502 PF03129 C1_S128 - (9)3 - / 1 / 7 2
311gbs181818 60% 0.517 PF04263 19 - (13)3 - / - / - 0
312gbs045518 56% 0.480 PF00317 C4_S18 - (8)3 - / 2 / 2 3
313gbs042420 37% 0.579 PF08282 20 - (2)3 - / - / - 0
314gbs133420 61% 0.474 PF00294 C1_S144 - (31)3 - / 2 / 2 3
315gbs020414 37% 0.513 PF00588 C2_S127 - (0)3 - / 2 / 2 0
316gbs082020 61% 0.549 PF02798 C1_S121 - (3)3 - / - / 8 2
317gbs162138 48% 0.522 PF00266 C1_S156 - (43)3 - / - / 37 1
318gbs172923 52% 0.554 PF01648 C6_S135 - (22)3 - / - / 5 1
319gbs028520 71% 0.566 PF02749 C3_S130 - (11)3 - / - / 3 1
320gbs125920 39% 0.554 PF07521 C1_S117 - (0)3 - / 3 / 1 2
321gbs129317 38% 0.438 PF03009 C1_S118 - (12)3 - / - / 2 2
322gbs163721 78% 0.556 PF00588 C5_S127 - (0)3 - / 6 / - 0
323gbs204116 53% 0.473 PF00317 C3_S110 - (7)3 - / - / 3 3
324gbs202015 45% 0.424 PF00905 C2_S134 - (0)3 - / - / 3 3
325gbs187823 43% 0.528 PF02016 C4_S139 - (0)3 - / - / 3 0
326gbs044018 38% 0.480 PF02608 C3_S114 - (0)3 - / 5 / - 3
327gbs002724 78% 0.636 PF00551 C7_S1145 - (15)3 - / - / 2 1
328gbs083718 51% 0.487 PF00317 C2_S117 - (17)3 - / - / 4 3
329gbs011022 80% 0.696 PF00484 9 - (0)3 - / - / - 0
330gbs067919 38% 0.535 PF00557 16 - (1)3 - / - / - 0
331gbs032717 40% 0.509 PF00696 C1_S123 - (8)3 - / - / 1 1
332gbs005313 35% 0.532 PF00465 C1_S118 - (15)3 - / 6 / - 2
333gbs02588 59% 0.427 PF01336 C6_S116 - (12)3 - / 1 / 3 1
334gbs145122 51% 0.535 PF00884 C4_S111 - (4)3 - / - / 3 1
335gbs187520 55% 0.549 PF07992 C2_S164 - (63)2 7 / - / - 1
336gbs140824 47% 0.438 PF00005 C1_S153 - (53)2 - / 4 / - 1
337gbs210117 50% 0.442 PF13932 C1_S124 - (19)2 2 / - / - 1
338gbs052720 34% 0.541 PF01168 C2_S125 - (15)2 - / - / 3 0
339gbs042014 52% 0.610 PF03965 C4_S114 - (0)2 - / - / 2 0
340gbs025413 57% 0.467 PF00891 2 - (0)2 - / - / - 0
341gbs059714 44% 0.619 PF00072 C4_S111 - (0)2 - / - / 1 0
342gbs090920 100% 0.757 PF13344 C1_S115 - (3)2 - / - / 2 0
343gbs171220 58% 0.471 PF01425 C7_S151 - (0)2 - / - / 2 2
344gbs109817 40% 0.453 PF02441 C2_S122 - (17)2 - / 3 / 6 1
345gbs11999 50% 0.490 PF09066 C1_S18 - (0)2 - / - / 3 0
346gbs188420 32% 0.528 PF00356 C3_S152 - (0)2 - / - / 2 0
347gbs083622 87% 0.571 PF00268 C4_S16 - (0)2 - / - / 1 1
348gbs025220 34% 0.590 PF08402 C1_S13 - (0)2 - / 1 / 1 2
349gbs205426 38% 0.491 PF00488 C3_S169 - (0)2 - / 12 / 12 0
350gbs06099 55% 0.558 PF01223 10 - (0)2 - / - / - 0

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