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]
100B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
101B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
102B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
103B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
104B0VQ5229 51% 0.56 PF00625 C3_S143 - (34)14 5 / 10 / 7 5
105B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
106B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
107B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
108B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
109B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
110B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
111B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
112B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
113B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
114B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
115B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
116B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
117B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
118B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
119B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
120B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
121B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
122B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
123B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
124B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
125B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
126B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
127B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
128B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
129B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
130B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
131B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
132B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
133B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
134B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
135B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
136B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
137B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
138B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
139B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
140B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
141B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
142B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
143B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
144B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
145B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
146B0VUP120 41% 0.60 PF02445 C2_S143 - (0)11 - / - / 14 1
147B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
148B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
149B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
150B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0

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