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]
150B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
151B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
152B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
153B0VUP120 41% 0.60 PF02445 C2_S143 - (0)11 - / - / 14 1
154B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
155B0VLB220 36% 0.41 PF00694 C2_S135 - (14)10 - / - / 5 0
156B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
157B0VML722 46% 0.55 PF00579 C2_S137 - (32)10 - / 3 / 7 0
158B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
159B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
160B0VTR519 39% 0.51 PF00768 C4_S128 - (0)10 - / - / 6 0
161B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
162B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
163B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
164B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
165B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
166B0VNG223 59% 0.56 PF13193 C2_S171 - (30)10 - / 5 / 5 0
167B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3
168B0VKN420 53% 0.53 PF00694 C3_S135 - (14)10 - / - / 5 0
169B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
170B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
171B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
172B0VND620 42% 0.49 PF00694 C5_S135 - (14)10 - / - / 6 0
173B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
174B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
175B0VPG118 42% 0.49 PF00905 C2_S123 - (0)10 - / 8 / 4 6
176B0VQC831 47% 0.62 PF03641 C5_S118 - (0)10 - / - / 7 3
177B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
178B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
179B0VTF717 41% 0.53 PF03588 C8_S123 - (0)10 - / 2 / 8 2
180B0VUS520 30% 0.41 PF01433 C2_S123 - (0)10 - / - / 8 0
181B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
182B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
183B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
184B0VUZ620 44% 0.51 PF00905 C1_S120 - (0)10 - / - / 8 0
185B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
186B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
187B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
188B0VTB328 43% 0.50 PF01019 C2_S137 - (0)10 - / - / 2 0
189B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
190B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
191B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
192B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
193B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
194B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
195B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
196B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
197B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2
198B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
199B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
200B0VPB720 37% 0.63 PF00977 C1_S140 - (1)9 2 / 4 / 4 1

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