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]
250B0VQ1220 56% 0.56 PF00551 52 - (0)5 - / - / - 0
251B0VLE57 54% 0.49 PF01494 C2_S152 - (30)2 7 / - / - 1
252B0VQX217 37% 0.43 PF04055 52 - (9)? - / - / - 0
253B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
254B0VPG214 36% 0.54 PF08245 C1_S152 - (23)1 - / - / 1 1
255B0VQ2518 57% 0.60 PF08245 C2_S152 - (30)6 1 / 2 / 3 0
256B0VTN828 45% 0.58 PF00155 C1_S152 - (37)7 - / 1 / 23 1
257B0VLL617 36% 0.46 PF01568 C3_S152 - (0)3 2 / - / 3 0
258B0VSA71 41% 0.59 PF00037 52 - (0)? - / - / - 0
259B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
260B0VSK544 52% 0.54 PF02910 C1_S151 - (45)6 29 / 1 / 2 1
261B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
262B0VUG818 55% 0.50 PF01613 51 - (0)? - / - / - 0
263B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
264B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
265B0VNE70 33% 0.69 PF13288 51 - (0)? - / - / - 0
266B0VS3712 35% 0.41 PF04650 50 - (24)1 - / - / - 0
267B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
268B0VUI526 80% 0.52 PF02771 C2_S150 - (40)6 1 / 6 / - 4
269B0VMM06 50% 0.29 PF01252 C3_S150 - (0)5 - / - / 5 2
270B0VV8321 68% 0.64 PF00216 C2_S150 - (0)2 4 / 6 / 1 0
271B0VRH216 40% 0.46 PF13673 C1_S150 - (28)2 2 / - / - 0
272B0VSZ60 36% 0.40 PF00233 50 - (7)? - / - / - 0
273B0VP1220 39% 0.26 PF00072 C5_S150 - (0)2 - / - / 2 0
274B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
275B0VSK315 43% 0.29 PF01127 C1_S150 - (0)4 - / 3 / - 0
276B0VU6414 35% 0.38 PF04650 50 - (24)1 - / - / - 0
277B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
278B0VLC616 29% 0.54 PF04055 49 - (4)? - / - / - 0
279B0VTL415 37% 0.48 PF01063 C4_S149 - (41)5 - / - / 8 2
280B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
281B0VSQ34 33% 0.41 PF12122 49 - (0)? - / - / - 0
282B0VV140 36% 0.29 PF09281 49 - (45)? - / - / - 0
283B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
284B0VSR420 99% 0.24 PF00593 48 - (0)? - / - / - 0
285B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
286B0VM5917 39% 0.66 PF00583 48 - (32)? - / - / - 0
287B0VMV320 51% 0.63 PF07977 C6_S148 - (1)5 - / - / 5 0
288B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
289B0VLQ112 46% 0.44 PF00571 C1_S147 - (0)4 - / 1 / 6 2
290B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
291B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
292B0VKB39 39% 0.57 PF00881 47 - (0)? - / - / - 0
293B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
294B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
295B0VUU233 42% 0.55 PF00196 C2_S147 - (0)5 3 / 8 / 12 2
296B0VM030 33% 0.72 PF02863 46 - (0)? - / - / - 0
297B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
298B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
299B0VQK826 50% 0.54 PF02254 C3_S146 - (0)6 - / 5 / 8 3
300B0VLN420 40% 0.62 PF13404 46 - (0)? - / - / - 0

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