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]
400gbs171820 77% 0.572 PF00857 C5_S130 - (0)4 - / - / 5 1
401gbs041919 31% 0.571 PF07859 15 - (0)? - / - / - 0
402gbs208821 41% 0.571 PF08402 C1_S125 - (0)1 - / - / 1 1
403gbs002815 55% 0.571 PF00583 29 - (11)1 - / - / - 0
404gbs12461 59% 0.571 PF00536 2 - (0)? - / - / - 0
405gbs19967 50% 0.571 PF03819 C1_S17 - (0)1 - / - / 1 0
406gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
407gbs202620 99% 0.571 PF01048 89 - (0)? - / - / - 0
408gbs184723 39% 0.571 PF02826 C1_S179 - (62)4 - / - / 4 0
409gbs083622 87% 0.571 PF00268 C4_S16 - (0)2 - / - / 1 1
410gbs02180 37% 0.571 PF00273 116 - (0)? - / - / - 0
411gbs032610 81% 0.571 PF02482 0 - (0)? - / - / - 0
412gbs041619 48% 0.570 PF01248 6 - (0)? - / - / - 0
413gbs179222 36% 0.570 PF02353 C2_S146 - (26)10 - / 16 / 8 0
414gbs015520 59% 0.570 PF00905 C1_S123 - (0)2 - / - / 2 2
415gbs058211 42% 0.570 PF02833 3 - (0)? - / - / - 0
416gbs140520 57% 0.570 PF02812 0 - (0)? - / - / - 0
417gbs10610 48% 0.570 -0 - (0)? - / - / - 0
418gbs210314 85% 0.569 PF03054 C1_S122 - (16)2 - / 1 / 2 1
419gbs180020 44% 0.569 PF00814 C2_S133 - (33)7 - / 8 / 2 4
420gbs202920 61% 0.569 PF00118 0 - (0)? - / - / - 0
421gbs029620 32% 0.569 PF00005 9 - (0)? - / - / - 0
422gbs108920 59% 0.569 PF01268 C1_S117 - (0)5 - / 4 / 6 2
423gbs002520 58% 0.569 PF00156 C6_S124 - (2)3 - / 1 / 5 2
424gbs182012 51% 0.569 PF03193 C5_S118 - (0)1 - / 1 / - 1
425gbs159013 57% 0.568 PF01325 4 - (0)? - / - / - 0
426gbs022217 52% 0.568 PF03029 6 - (0)? - / - / - 0
427gbs145019 67% 0.568 PF01170 C1_S121 - (0)1 - / 1 / - 0
428gbs143818 62% 0.568 PF01016 2 - (0)? - / - / - 0
429gbs044912 25% 0.568 PF01048 25 - (8)? - / - / - 0
430gbs027021 35% 0.568 PF00005 C1_S119 - (0)6 - / 5 / - 2
431gbs040716 30% 0.567 PF01402 4 - (0)? - / - / - 0
432gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
433gbs065920 39% 0.567 PF00005 26 - (0)? - / - / - 0
434gbs080520 27% 0.567 PF07859 14 - (0)? - / - / - 0
435gbs171421 60% 0.567 PF01326 C1_S18 - (3)2 - / - / 2 1
436gbs172321 42% 0.567 PF00710 C5_S117 - (16)2 - / - / 5 1
437gbs076934 58% 0.566 PF00926 C7_S124 - (0)8 - / - / 17 3
438gbs04388 48% 0.566 PF01812 C8_S113 - (0)1 - / - / 1 1
439gbs088213 64% 0.566 PF02823 7 - (2)? - / - / - 0
440gbs028520 71% 0.566 PF02749 C3_S130 - (11)3 - / - / 3 1
441gbs006219 68% 0.566 PF00203 8 - (0)? - / - / - 0
442gbs045418 51% 0.566 PF00258 C3_S136 - (32)2 7 / - / - 1
443gbs153815 62% 0.565 PF02073 C5_S14 - (0)4 - / - / 2 1
444gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
445gbs043019 37% 0.565 PF00512 C3_S133 - (26)4 1 / 3 / - 3
446gbs178820 41% 0.565 PF07992 79 - (53)? - / - / - 0
447gbs158120 57% 0.565 PF01546 8 - (0)? - / - / - 0
448gbs074115 82% 0.565 PF00072 13 - (0)1 - / - / - 0
449gbs007519 79% 0.565 PF03719 4 - (0)1 - / - / - 0
450gbs104814 47% 0.564 PF01926 C14_S113 - (0)4 - / 7 / - 3

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