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]
250gbs094620 79% 0.545 PF02852 C1_S1111 - (100)4 4 / - / - 1
251gbs104814 47% 0.564 PF01926 C14_S113 - (0)4 - / 7 / - 3
252gbs115823 51% 0.549 PF00106 C1_S154 - (37)4 9 / - / - 2
253gbs053714 38% 0.282 PF00528 C4_S114 - (0)4 - / - / 4 1
254gbs092120 61% 0.548 PF01641 C6_S113 - (0)4 - / - / 6 1
255gbs144833 39% 0.455 PF01202 C3_S158 - (54)4 4 / 13 / 8 2
256gbs171617 36% 0.392 PF08279 C3_S116 - (0)4 - / - / 1 1
257gbs101919 38% 0.543 PF00512 C3_S130 - (23)4 2 / 3 / - 3
258gbs195620 47% 0.574 PF02475 C1_S155 - (39)4 - / 2 / 6 1
259gbs155320 43% 0.672 PF01121 C2_S127 - (19)4 - / 3 / 1 3
260gbs162921 36% 0.672 PF00005 C1_S119 - (0)4 - / 10 / 2 2
261gbs118419 41% 0.528 PF08245 C1_S124 - (12)4 - / - / 3 2
262gbs104713 49% 0.428 PF01351 C2_S130 - (0)4 - / 1 / 4 1
263gbs153815 62% 0.565 PF02073 C5_S14 - (0)4 - / - / 2 1
264gbs190020 64% 0.497 PF00587 C1_S136 - (30)4 4 / 2 / - 2
265gbs032120 55% 0.607 PF00465 C2_S131 - (28)4 4 / - / 5 2
266gbs030720 45% 0.517 PF00069 C1_S185 - (14)4 - / 4 / 5 3
267gbs208922 40% 0.500 PF04069 C2_S116 - (0)4 - / - / 1 0
268gbs117220 43% 0.549 PF08282 C1_S133 - (4)4 - / - / 2 0
269gbs171820 77% 0.572 PF00857 C5_S130 - (0)4 - / - / 5 1
270gbs175126 42% 0.575 PF00557 C1_S120 - (1)4 - / 1 / 4 0
271gbs010818 75% 0.239 PF00692 C5_S130 - (19)4 - / - / 2 0
272gbs141722 44% 0.515 PF00294 C2_S158 - (39)4 - / - / 8 2
273gbs067120 52% 0.469 PF02837 C1_S124 - (0)4 - / - / 4 1
274gbs066824 36% 0.555 PF02826 C1_S159 - (42)4 3 / 1 / 4 1
275gbs004220 52% 0.604 PF02844 C1_S132 - (21)4 - / 3 / 5 3
276gbs052013 55% 0.449 PF03143 C2_S132 - (0)4 - / - / 4 2
277gbs067328 47% 0.617 PF01081 C2_S130 - (26)4 - / - / 10 1
278gbs009119 36% 0.468 PF00300 C4_S112 - (9)3 - / - / 1 0
279gbs145122 51% 0.535 PF00884 C4_S111 - (4)3 - / - / 3 1
280gbs011022 80% 0.696 PF00484 9 - (0)3 - / - / - 0
281gbs020414 37% 0.513 PF00588 C2_S127 - (0)3 - / 2 / 2 0
282gbs172923 52% 0.554 PF01648 C6_S135 - (22)3 - / - / 5 1
283gbs181128 100% 0.507 PF00044 C1_S118 - (10)3 6 / 2 / - 2
284gbs129317 38% 0.438 PF03009 C1_S118 - (12)3 - / - / 2 2
285gbs014920 32% 0.500 PF00288 C1_S152 - (39)3 - / 2 / 1 2
286gbs125920 39% 0.554 PF07521 C1_S117 - (0)3 - / 3 / 1 2
287gbs164818 46% 0.505 PF01725 C4_S113 - (12)3 - / 7 / 1 2
288gbs082020 61% 0.549 PF02798 C1_S121 - (3)3 - / - / 8 2
289gbs067919 38% 0.535 PF00557 16 - (1)3 - / - / - 0
290gbs194417 40% 0.519 PF00072 C2_S17 - (0)3 - / - / 3 0
291gbs206123 48% 0.502 PF03129 C1_S128 - (9)3 - / 1 / 7 2
292gbs004720 76% 0.576 PF00206 C3_S119 - (9)3 - / - / 3 1
293gbs162138 48% 0.522 PF00266 C1_S156 - (43)3 - / - / 37 1
294gbs166720 73% 0.623 PF01926 C1_S127 - (0)3 - / 5 / - 2
295gbs083718 51% 0.487 PF00317 C2_S117 - (17)3 - / - / 4 3
296gbs042420 37% 0.579 PF08282 20 - (2)3 - / - / - 0
297gbs108120 76% 0.637 PF00156 C2_S132 - (19)3 - / - / 3 1
298gbs080824 62% 0.628 PF00081 C9_S14 - (1)3 - / - / 3 1
299gbs172020 59% 0.615 PF00155 C1_S130 - (26)3 - / 1 / 2 2
300gbs140312 30% 0.471 PF00149 C1_S131 - (11)3 - / 1 / - 0

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