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]
300B0VLC616 29% 0.54 PF04055 49 - (4)? - / - / - 0
301B0VLC74 33% 0.33 PF00069 2 - (0)? - / - / - 0
302B0VLC819 38% 0.33 PF03023 28 - (0)? - / - / - 0
303B0VLC912 32% ? PF02771 20 - (14)? - / - / - 0
304B0VLD018 31% ? PF02771 16 - (12)? - / - / - 0
305B0VLD116 26% 0.46 PF00069 C2_S118 - (3)1 - / - / 1 0
306B0VLD21 48% ? PF01322 8 - (0)? - / - / - 0
307B0VLD31 55% 0.40 PF00206 5 - (0)? - / - / - 0
308B0VLD410 49% 0.32 PF00001 30 - (0)? - / - / - 0
309B0VLD55 35% 0.33 PF01096 0 - (0)? - / - / - 0
310B0VLD610 26% 0.39 PF00890 25 - (22)? - / - / - 0
311B0VLD713 27% 0.38 PF02390 9 - (9)? - / - / - 0
312B0VLD84 57% 0.52 PF03884 0 - (0)? - / - / - 0
313B0VLD915 50% 0.71 PF00753 C2_S130 - (10)2 - / - / 2 1
314B0VLE018 43% 0.53 PF00762 C3_S155 - (0)4 - / - / 2 0
315B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
316B0VLE44 36% 0.36 PF13181 7 - (0)? - / - / - 0
317B0VLE57 54% 0.49 PF01494 C2_S152 - (30)2 7 / - / - 1
318B0VLE813 45% 0.50 PF01206 4 - (0)? - / - / - 0
319B0VLE94 52% 0.27 PF05488 2 - (0)? - / - / - 0
320B0VLF00 54% -0.04 PF02332 2 - (0)? - / - / - 0
321B0VLF10 38% 0.13 PF05001 10 - (1)? - / - / - 0
322B0VLF20 20% 0.71 PF01475 6 - (0)? - / - / - 0
323B0VLF313 28% 0.28 PF00929 C2_S121 - (17)1 - / 1 / - 0
324B0VLF420 33% 0.33 PF03583 13 - (0)1 - / - / - 0
325B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
326B0VLF820 41% 0.46 PF00873 15 - (0)? - / - / - 0
327B0VLF920 44% 0.56 PF16576 4 - (0)? - / - / - 0
328B0VLG019 41% 0.41 PF03466 4 - (0)? - / - / - 0
329B0VLG20 27% 0.17 PF00503 6 - (0)? - / - / - 0
330B0VLG49 35% 0.57 PF00583 56 - (34)? - / - / - 0
331B0VLG511 47% 0.58 PF01551 12 - (0)? - / - / - 0
332B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
333B0VLG90 46% 0.62 PF03063 14 - (0)? - / - / - 0
334B0VLH019 43% 0.48 PF01170 C1_S110 - (0)2 - / 2 / - 0
335B0VLH10 42% 0.47 PF00268 4 - (0)? - / - / - 0
336B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
337B0VLH320 40% 0.46 PF01979 8 - (0)? - / - / - 0
338B0VLH413 43% 0.63 PF00691 C7_S135 - (0)2 - / - / 1 1
339B0VLH516 41% 0.50 PF02737 18 - (16)? - / - / - 0
340B0VLH620 57% 0.50 PF02798 2 - (0)2 - / - / - 0
341B0VLH713 53% 0.52 PF02390 16 - (6)2 - / - / - 0
342B0VLH819 22% 0.36 PF03372 9 - (0)2 - / - / - 0
343B0VLH921 52% 0.59 PF02798 C2_S113 - (0)2 - / - / 4 0
344B0VLI00 34% 0.28 PF08369 8 - (0)? - / - / - 0
345B0VLI118 67% 0.65 PF07992 C1_S1173 - (153)2 7 / - / - 1
346B0VLI20 38% 0.25 PF05001 4 - (0)? - / - / - 0
347B0VLI32 37% 0.42 -0 - (0)? - / - / - 0
348B0VLI418 34% 0.61 PF01596 C1_S136 - (27)2 - / - / 2 0
349B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
350B0VLI720 38% 0.43 PF07717 16 - (0)1 - / - / - 0

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