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]
300gbs031414 30% 0.474 PF06026 10 - (2)? - / - / - 0
301gbs031520 48% 0.472 PF04198 21 - (9)? - / - / - 0
302gbs031613 44% 0.531 PF02255 0 - (0)? - / - / - 0
303gbs031713 43% 0.605 PF02302 7 - (5)1 - / - / - 0
304gbs03186 35% 0.331 PF07465 0 - (0)? - / - / - 0
305gbs031920 40% 0.514 PF02901 3 - (3)? - / - / - 0
306gbs032020 40% 0.530 PF00923 35 - (3)? - / - / - 0
307gbs032120 55% 0.607 PF00465 C2_S131 - (28)4 4 / - / 5 2
308gbs032310 37% 0.543 PF03144 2 - (0)? - / - / - 0
309gbs032610 81% 0.571 PF02482 0 - (0)? - / - / - 0
310gbs032717 40% 0.509 PF00696 C1_S123 - (8)3 - / - / 1 1
311gbs032816 56% 0.621 PF13419 C1_S122 - (8)1 - / - / 1 0
312gbs032920 35% 0.512 PF00378 12 - (0)? - / - / - 0
313gbs03307 40% 0.427 PF01047 19 - (0)? - / - / - 0
314gbs033121 58% 0.518 PF08541 C1_S122 - (10)7 - / 9 / 3 4
315gbs03323 48% 0.658 PF00550 13 - (0)? - / - / - 0
316gbs033320 80% 0.588 PF00977 C3_S142 - (26)4 4 / 4 / - 2
317gbs033420 66% 0.560 PF00698 C1_S121 - (16)5 - / - / 5 2
318gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
319gbs033620 83% 0.876 PF02801 0 - (0)? - / - / - 0
320gbs03377 48% 0.377 PF00364 7 - (0)? - / - / - 0
321gbs033825 53% 0.512 PF07977 C1_S124 - (1)6 - / - / 5 0
322gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
323gbs034020 49% 0.517 PF01039 4 - (0)? - / - / - 0
324gbs034119 54% 0.535 PF00701 46 - (0)? - / - / - 0
325gbs03420 38% 0.599 PF06227 0 - (0)? - / - / - 0
326gbs034324 55% 0.446 PF00587 C2_S135 - (34)7 - / 11 / 6 4
327gbs03440 33% 0.207 PF10215 0 - (0)? - / - / - 0
328gbs03450 28% 0.413 PF04386 1 - (0)? - / - / - 0
329gbs03460 28% -0.324 PF04433 20 - (0)? - / - / - 0
330gbs03470 56% 0.029 PF00676 0 - (0)? - / - / - 0
331gbs034819 50% 0.692 PF03830 2 - (0)? - / - / - 0
332gbs034916 42% 0.430 PF08282 21 - (1)2 - / - / - 0
333gbs03500 29% 0.305 PF02508 2 - (0)? - / - / - 0
334gbs03510 42% 0.043 PF06553 0 - (0)? - / - / - 0
335gbs03522 33% 0.307 PF00171 4 - (0)? - / - / - 0
336gbs03539 55% 0.493 PF00004 C3_S112 - (0)2 - / 5 / - 1
337gbs035419 46% 0.577 PF00583 C2_S140 - (0)3 6 / 1 / - 1
338gbs035519 96% 0.455 PF03816 15 - (0)? - / - / - 0
339gbs03560 48% 0.545 PF01442 2 - (0)? - / - / - 0
340gbs035721 66% 0.539 PF01230 C6_S193 - (0)5 - / - / 2 1
341gbs03580 36% 0.357 PF09480 1 - (0)? - / - / - 0
342gbs035921 54% 0.603 PF00005 C1_S118 - (0)1 - / - / 1 1
343gbs03600 38% 0.167 PF05400 2 - (0)? - / - / - 0
344gbs03610 27% 0.133 PF10189 0 - (0)? - / - / - 0
345gbs03620 33% 0.453 PF00249 4 - (0)? - / - / - 0
346gbs03630 62% 0.499 PF04952 2 - (0)? - / - / - 0
347gbs03640 42% 0.590 PF00724 1 - (0)? - / - / - 0
348gbs03650 33% 0.340 PF01992 0 - (0)? - / - / - 0
349gbs03660 50% 0.132 PF00114 3 - (0)? - / - / - 0
350gbs03676 35% 0.201 PF02295 9 - (0)? - / - / - 0

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