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]
150B0VN7519 41% 0.39 PF00083 17 - (0)? - / - / - 0
151B0VUV514 24% 0.26 PF00083 15 - (0)? - / - / - 0
152B0VU0016 28% 0.27 PF00083 15 - (0)? - / - / - 0
153B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
154B0VP139 44% 0.62 PF00085 4 - (0)? - / - / - 0
155B0VNQ70 34% 0.66 PF00089 0 - (0)? - / - / - 0
156B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
157B0VLW20 31% 0.38 PF00092 2 - (0)? - / - / - 0
158B0VKZ00 35% 0.29 PF00092 7 - (0)? - / - / - 0
159B0VU160 29% 0.19 PF00092 8 - (0)? - / - / - 0
160B0VPM81 36% 0.60 PF00092 4 - (0)? - / - / - 0
161B0VPX60 23% 0.56 PF00098 0 - (0)? - / - / - 0
162B0VKD40 29% 0.43 PF00098 4 - (0)? - / - / - 0
163B0VPT314 25% 0.41 PF00098 1 - (0)? - / - / - 0
164B0VMI615 24% 0.46 PF00098 1 - (0)? - / - / - 0
165B0VP7612 18% 0.54 PF00098 1 - (0)? - / - / - 0
166B0VUP90 31% 0.23 PF00098 9 - (0)? - / - / - 0
167B0VKS45 52% 0.59 PF00098 9 - (0)? - / - / - 0
168B0VQI70 33% 0.80 PF00102 4 - (0)? - / - / - 0
169B0VKE00 48% 0.54 PF00105 15 - (0)? - / - / - 0
170B0VMN618 55% 0.61 PF00106 C1_S167 - (36)5 3 / - / 4 1
171B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
172B0VT1824 55% 0.67 PF00106 C1_S198 - (59)6 - / 2 / 6 1
173B0VP4620 35% 0.52 PF00106 C2_S176 - (55)6 4 / - / 2 0
174B0VNE612 39% 0.41 PF00106 42 - (32)? - / - / - 0
175B0VPD520 36% 0.49 PF00106 C1_S160 - (41)4 4 / - / - 0
176B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
177B0VP2820 44% 0.19 PF00106 62 - (0)? - / - / - 0
178B0VV5220 41% 0.52 PF00106 C1_S1104 - (74)1 - / - / 1 0
179B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
180B0VPN513 64% 0.60 PF00106 C1_S1103 - (74)6 4 / - / 1 1
181B0VLC519 66% 0.52 PF00106 97 - (50)? - / - / - 0
182B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
183B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
184B0VSG416 36% 0.64 PF00106 C1_S1134 - (88)5 3 / - / - 0
185B0VL1412 37% 0.58 PF00106 C1_S1125 - (99)3 2 / - / 1 0
186B0VKM218 35% 0.55 PF00106 33 - (23)1 - / - / - 0
187B0VKK912 34% 0.40 PF00106 C1_S177 - (60)6 2 / 2 / - 0
188B0VS3320 48% 0.50 PF00107 C1_S131 - (16)2 1 / - / 1 0
189B0VPZ120 35% 0.50 PF00107 39 - (26)1 - / - / - 0
190B0VPN620 35% 0.53 PF00107 C1_S131 - (16)5 - / - / 4 0
191B0VN8316 31% 0.58 PF00107 12 - (8)? - / - / - 0
192B0VL9219 58% 0.59 PF00107 13 - (9)? - / - / - 0
193B0VRM019 32% 0.43 PF00108 C6_S112 - (3)2 - / - / 1 0
194B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
195B0VLX525 66% 0.44 PF00108 C3_S117 - (0)6 - / - / 3 0
196B0VQF228 52% 0.52 PF00108 C6_S114 - (4)6 - / 4 / - 1
197B0VQH528 52% 0.51 PF00108 C6_S114 - (4)6 - / 4 / - 1
198B0VRI722 52% 0.55 PF00108 C6_S112 - (3)5 - / - / 1 0
199B0VNV712 61% 0.51 PF00111 C10_S195 - (0)2 - / - / 4 1
200B0VL460 29% 0.40 PF00112 1 - (0)? - / - / - 0

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