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]
300B0VU4037 44% 0.56 PF00175 C1_S1113 - (91)5 21 / 5 / 2 1
301B0VUA112 31% 0.38 PF00175 C3_S161 - (41)2 - / 1 / - 0
302B0VPS020 40% 0.46 PF00175 C1_S167 - (45)4 2 / - / 1 0
303B0VRZ323 38% 0.45 PF00175 C2_S177 - (65)6 - / 4 / 7 0
304B0VMG50 41% 0.64 PF00175 8 - (0)? - / - / - 0
305B0VTG414 69% 0.57 PF00177 7 - (0)1 - / - / - 0
306B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
307B0VSV60 32% 0.30 PF00180 4 - (0)? - / - / - 0
308B0VVF011 34% 0.36 PF00182 C4_S134 - (0)2 - / - / 1 0
309B0VL1113 35% 0.40 PF00183 12 - (0)? - / - / - 0
310B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
311B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
312B0VT9815 27% 0.35 PF00188 4 - (0)? - / - / - 0
313B0VQS413 71% 0.56 PF00189 3 - (0)0 - / - / - 0
314B0VQP513 46% 0.42 PF00191 4 - (0)? - / - / - 0
315B0VMI20 42% 0.43 PF00193 1 - (0)? - / - / - 0
316B0VPX19 60% 0.45 PF00195 C2_S143 - (0)7 - / 3 / 4 1
317B0VRK62 37% 0.46 PF00195 12 - (0)1 - / - / - 0
318B0VTU40 58% 0.96 PF00196 4 - (0)? - / - / - 0
319B0VTM116 56% 0.41 PF00196 13 - (0)? - / - / - 0
320B0VUU233 42% 0.55 PF00196 C2_S147 - (0)5 3 / 8 / 12 2
321B0VNS40 38% 0.79 PF00197 1 - (0)? - / - / - 0
322B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
323B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
324B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
325B0VVA322 34% 0.64 PF00202 C2_S158 - (36)6 - / 1 / 4 0
326B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
327B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
328B0VQS213 74% 0.72 PF00203 2 - (0)? - / - / - 0
329B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
330B0VLD31 55% 0.40 PF00206 5 - (0)? - / - / - 0
331B0VQH418 81% 0.54 PF00206 C3_S111 - (0)1 - / - / 1 0
332B0VMC720 52% 0.57 PF00206 C3_S15 - (2)2 - / - / 1 0
333B0VQ1518 37% 0.40 PF00209 124 - (0)? - / - / - 0
334B0VTD67 21% 0.37 PF00209 18 - (0)? - / - / - 0
335B0VM4510 23% 0.32 PF00210 3 - (0)? - / - / - 0
336B0VQ4718 59% 0.61 PF00210 34 - (0)1 - / - / - 0
337B0VL150 19% 0.24 PF00210 6 - (0)? - / - / - 0
338B0VL180 19% 0.26 PF00210 6 - (0)? - / - / - 0
339B0VSY10 29% 0.42 PF00210 1 - (0)? - / - / - 0
340B0VU0120 64% 0.68 PF00210 33 - (0)1 - / - / - 0
341B0VPU216 27% 0.41 PF00211 13 - (5)? - / - / - 0
342B0VNK19 51% 0.43 PF00213 7 - (0)? - / - / - 0
343B0VN4110 33% 0.40 PF00215 17 - (13)? - / - / - 0
344B0VL412 29% 0.62 PF00215 2 - (2)? - / - / - 0
345B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
346B0VKG70 34% 0.67 PF00216 3 - (0)? - / - / - 0
347B0VKJ00 37% 0.48 PF00216 1 - (0)? - / - / - 0
348B0VV8321 68% 0.64 PF00216 C2_S150 - (0)2 4 / 6 / 1 0
349B0VN0219 56% 0.52 PF00216 C7_S156 - (0)2 3 / - / 4 0
350B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1

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