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]
150B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
151B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
152B0VL3029 48% 0.52 PF00044 C4_S126 - (22)2 5 / 13 / - 1
153B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5
154B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
155B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
156B0VSK229 69% 0.56 PF00285 C8_S119 - (15)6 - / 3 / 7 2
157B0VPF628 63% 0.54 PF00749 C2_S119 - (16)6 - / 4 / 7 1
158B0VTB328 43% 0.50 PF01019 C2_S137 - (0)10 - / - / 2 0
159B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
160B0VTN828 45% 0.58 PF00155 C1_S152 - (37)7 - / 1 / 23 1
161B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
162B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
163B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
164B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
165B0VQH528 52% 0.51 PF00108 C6_S114 - (4)6 - / 4 / - 1
166B0VQF228 52% 0.52 PF00108 C6_S114 - (4)6 - / 4 / - 1
167B0VRG728 66% 0.47 PF07516 C4_S115 - (0)2 - / 4 / 4 1
168B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
169B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
170B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
171B0VND527 75% 0.55 PF00285 C7_S117 - (13)6 - / 1 / 9 2
172B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
173B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
174B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
175B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
176B0VPI827 55% 0.58 PF00793 C4_S118 - (18)6 - / - / 7 2
177B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
178B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
179B0VUA927 40% 0.51 PF02776 C7_S139 - (19)5 - / 8 / 1 2
180B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
181B0VP4826 71% 0.54 PF00486 C2_S132 - (0)4 - / - / 6 0
182B0VV7026 65% 0.55 PF00437 C4_S117 - (16)6 - / 3 / 7 4
183B0VV7626 43% 0.52 PF14748 C3_S123 - (17)8 2 / 1 / 7 0
184B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
185B0VUI526 80% 0.52 PF02771 C2_S150 - (40)6 1 / 6 / - 4
186B0VQK826 50% 0.54 PF02254 C3_S146 - (0)6 - / 5 / 8 3
187B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
188B0VUC926 52% 0.51 PF00488 C3_S154 - (0)2 - / 13 / 11 0
189B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
190B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
191B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
192B0VMU426 62% 0.47 PF00696 C1_S129 - (16)8 - / 4 / 6 3
193B0VND026 37% 0.52 PF01070 C2_S160 - (37)8 2 / - / 5 1
194B0VP6126 37% 0.59 PF01177 C2_S136 - (26)8 - / 1 / 10 3
195B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
196B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
197B0VNC825 45% 0.50 PF01243 C1_S142 - (12)6 - / - / 11 1
198B0VLL525 35% 0.56 PF14759 C1_S1101 - (0)2 - / - / 2 0
199B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
200B0VLX525 66% 0.44 PF00108 C3_S117 - (0)6 - / - / 3 0

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