Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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]
450B0VME920 59% 0.58 PF03447 C3_S139 - (30)4 - / - / 2 1
451B0VSE720 43% 0.56 PF02852 C1_S195 - (66)4 4 / - / 1 1
452B0VMZ819 37% 0.57 PF00378 C2_S119 - (8)4 - / - / 2 0
453B0VP5630 64% 0.47 PF06628 C8_S117 - (4)4 10 / - / 2 1
454B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
455B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
456B0VRT120 40% 0.61 PF01126 C6_S126 - (0)4 3 / - / - 1
457B0VR3519 67% 0.62 PF01636 C2_S134 - (0)4 - / - / 2 0
458B0VTM520 43% 0.56 PF14622 C1_S130 - (0)4 - / - / 2 0
459B0VQB78 57% 0.58 PF00925 C4_S120 - (9)4 - / 2 / 5 2
460B0VLS422 42% 0.56 PF00485 C5_S132 - (23)4 - / - / 2 0
461B0VV407 43% 0.54 PF00149 C2_S115 - (0)4 - / - / 1 0
462B0VTZ217 59% 0.60 PF01479 C5_S112 - (0)4 - / - / 2 0
463B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2
464B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2
465B0VMF021 59% 0.50 PF00291 C3_S145 - (39)4 - / 2 / 7 2
466B0VP4826 71% 0.54 PF00486 C2_S132 - (0)4 - / - / 6 0
467B0VQK725 57% 0.47 PF00291 C2_S133 - (32)4 - / 1 / 11 1
468B0VT9021 50% ? PF01330 C3_S128 - (0)4 - / - / 4 0
469B0VLS018 37% 0.46 PF13538 C1_S117 - (0)4 - / 2 / 2 0
470B0VSJ020 36% 0.55 PF03099 C3_S120 - (15)4 - / - / 3 0
471B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
472B0VU3615 50% 0.52 PF00890 C3_S141 - (31)4 4 / - / - 2
473B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
474B0VL2617 52% 0.52 PF01351 C1_S127 - (0)4 - / 3 / 3 0
475B0VTM314 44% 0.41 PF10502 C8_S119 - (0)4 - / 3 / 3 1
476B0VU2710 48% 0.55 PF00142 C2_S178 - (76)4 - / 4 / - 2
477B0VKM920 43% 0.62 PF01207 C3_S153 - (36)4 6 / 7 / - 1
478B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
479B0VQ6318 48% 0.50 PF01509 C4_S128 - (0)4 4 / - / 1 0
480B0VPU920 53% 0.54 PF01979 C1_S115 - (5)4 - / - / 6 2
481B0VRH520 54% 0.61 PF02737 C2_S135 - (35)4 3 / 1 / - 0
482B0VU3512 33% 0.45 PF00291 C8_S124 - (21)4 - / 3 / 1 0
483B0VMQ720 34% 0.50 PF03721 C1_S131 - (0)4 - / 3 / 5 0
484B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
485B0VLB718 42% 0.58 PF02896 C1_S15 - (1)4 - / - / 5 2
486B0VT9220 56% 0.53 PF02769 C4_S121 - (16)4 - / - / 4 0
487B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
488B0VPD520 36% 0.49 PF00106 C1_S160 - (41)4 4 / - / - 0
489B0VRS018 34% 0.39 PF02113 C3_S130 - (0)4 - / - / 2 0
490B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
491B0VMF120 31% 0.46 PF00768 C1_S124 - (0)4 - / - / 2 0
492B0VUP317 48% 0.51 PF02870 C3_S122 - (0)4 - / - / 2 0
493B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
494B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
495B0VU0815 43% 0.55 PF03309 C2_S124 - (18)3 - / - / 2 0
496B0VLL011 38% 0.45 PF11531 C2_S16 - (0)3 - / 1 / 2 0
497B0VL1412 37% 0.58 PF00106 C1_S1125 - (99)3 2 / - / 1 0
498B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
499B0VLQ319 52% 0.53 PF01588 C6_S18 - (0)3 - / - / 1 0
500B0VPA220 74% 0.56 PF00719 C5_S123 - (0)3 - / - / 1 0

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