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]
200B0VKB90 68% 0.76 PF02801 0 - (0)? - / - / - 0
201B0VQT610 68% ? PF00327 1 - (0)? - / - / - 0
202B0VTH612 68% 0.47 PF00037 C4_S169 - (0)2 - / - / 10 0
203B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
204B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
205B0VV8321 68% 0.64 PF00216 C2_S150 - (0)2 4 / 6 / 1 0
206B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3
207B0VQT017 68% 0.69 PF00673 0 - (0)? - / - / - 0
208B0VVF915 68% 0.50 PF13091 13 - (2)2 - / - / - 0
209B0VQR815 68% 0.40 PF00297 0 - (0)? - / - / - 0
210B0VPW520 68% 0.47 PF00903 C2_S112 - (0)6 - / 1 / 5 0
211B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
212B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
213B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
214B0VMP420 68% 0.51 PF03725 C1_S112 - (0)5 - / 1 / 4 0
215B0VQ0011 68% -0.01 PF01556 5 - (0)? - / - / - 0
216B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
217B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
218B0VLI118 67% 0.65 PF07992 C1_S1173 - (153)2 7 / - / - 1
219B0VR3519 67% 0.62 PF01636 C2_S134 - (0)4 - / - / 2 0
220B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
221B0VTF120 67% 0.62 PF01656 C1_S160 - (58)7 2 / 10 / 1 0
222B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
223B0VS2314 67% 0.74 PF00403 C2_S118 - (12)2 - / - / 1 1
224B0VSY80 67% 0.10 PF02419 3 - (0)? - / - / - 0
225B0VSC121 67% 0.55 PF00699 4 - (0)2 - / - / - 0
226B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
227B0VL8917 67% 0.47 PF01396 C1_S110 - (0)6 2 / - / 4 2
228B0VRW915 67% 0.53 PF00587 C1_S141 - (30)6 4 / 3 / 2 2
229B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
230B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
231B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
232B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
233B0VLC519 66% 0.52 PF00106 97 - (50)? - / - / - 0
234B0VSS732 66% 0.51 PF01852 C1_S143 - (43)3 - / 17 / 16 1
235B0VQT716 66% 0.56 PF00828 0 - (0)? - / - / - 0
236B0VPA723 66% 0.68 PF00977 C2_S145 - (4)9 - / - / 5 1
237B0VVA85 66% 0.33 PF01471 C4_S120 - (0)1 - / - / 1 0
238B0VV9919 66% 0.60 PF05198 0 - (0)? - / - / - 0
239B0VS6620 66% 0.59 PF00005 C1_S122 - (0)4 - / 8 / - 2
240B0VLX525 66% 0.44 PF00108 C3_S117 - (0)6 - / - / 3 0
241B0VRG728 66% 0.47 PF07516 C4_S115 - (0)2 - / 4 / 4 1
242B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
243B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
244B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
245B0VVF87 66% 0.39 PF03291 32 - (29)? - / - / - 0
246B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
247B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
248B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
249B0VRA72 65% 0.58 PF02699 0 - (0)? - / - / - 0
250B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2

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