Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 2016)

Download : Data.csv | 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]
350bsu3359022 77% 0.544 PF00106 C1_S192 - (56)3 - / - / 1 0
351bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
352bsu4000026 36% 0.600 PF00106 C2_S199 - (71)7 4 / - / 8 3
353bsu3298028 35% 0.494 PF00106 C1_S1123 - (96)4 7 / - / 2 1
354bsu1406026 66% 0.572 PF00106 C1_S1123 - (81)7 2 / 6 / 6 2
355bsu025800 43% 0.437 PF00106 5 - (5)? - / - / - 0
356bsu3200024 36% 0.504 PF00106 C1_S1121 - (76)4 1 / 1 / 2 1
357bsu1172032 100% 0.614 PF00106 C5_S168 - (36)8 17 / 8 / 1 3
358bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
359bsu1687022 36% 0.576 PF00106 C1_S164 - (34)2 - / - / 1 0
360bsu1198022 34% 0.573 PF00106 C1_S151 - (30)2 - / - / 2 0
361bsu1850021 39% 0.567 PF00106 C1_S172 - (38)3 - / - / 1 0
362bsu1514016 52% 0.535 PF00107 C3_S114 - (9)1 3 / 3 / 2 0
363bsu1843020 37% 0.472 PF00107 21 - (15)? - / - / - 0
364bsu0624020 35% 0.490 PF00107 17 - (10)1 - / - / - 0
365bsu1032019 99% 0.518 PF00107 C1_S123 - (15)2 4 / - / - 2
366bsu1699020 50% 0.527 PF00107 C1_S122 - (10)? 1 / - / - 0
367bsu2701024 54% 0.583 PF00107 C1_S137 - (23)9 7 / 5 / 1 2
368bsu1233023 39% 0.491 PF00107 C1_S136 - (20)6 - / 2 / 3 1
369bsu400200 32% 0.354 PF00107 7 - (0)? - / - / - 0
370bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
371bsu2697020 36% 0.480 PF00107 66 - (42)? - / - / - 0
372bsu0615030 43% 0.576 PF00107 C1_S152 - (30)9 1 / 2 / 6 1
373bsu4025025 67% 0.618 PF00107 C1_S176 - (48)4 6 / 1 / 4 1
374bsu2417022 49% 0.512 PF00108 C5_S111 - (3)6 - / 2 / 1 1
375bsu3283029 49% 0.495 PF00108 C8_S116 - (6)7 - / 3 / 2 1
376bsu1035026 40% 0.477 PF00108 11 - (3)4 - / - / - 0
377bsu200900 40% 0.439 PF00112 0 - (0)? - / - / - 0
378bsu188907 23% 0.298 PF00112 5 - (0)? - / - / - 0
379bsu349409 49% 0.570 PF00112 3 - (0)? - / - / - 0
380bsu263601 46% 0.684 PF00114 0 - (0)? - / - / - 0
381bsu358700 30% 0.517 PF00114 4 - (0)? - / - / - 0
382bsu068390 33% 0.204 PF00114 0 - (0)? - / - / - 0
383bsu175590 36% 0.656 PF00114 5 - (0)? - / - / - 0
384bsu253700 69% 0.422 PF00114 0 - (0)? - / - / - 0
385bsu247108 42% 0.642 PF00114 2 - (0)? - / - / - 0
386bsu320405 20% 0.177 PF00115 1 - (0)? - / - / - 0
387bsu099650 29% 0.213 PF00115 10 - (0)? - / - / - 0
388bsu058306 41% 0.398 PF00115 5 - (0)? - / - / - 0
389bsu043590 30% 0.049 PF00115 1 - (0)? - / - / - 0
390bsu1490018 44% 0.431 PF00115 C4_S124 - (0)2 3 / - / - 0
391bsu3816011 51% 0.397 PF00115 C1_S125 - (0)2 4 / - / - 0
392bsu075302 100% 0.459 PF00115 7 - (0)? - / - / - 0
393bsu0647015 42% 0.320 PF00117 32 - (0)? - / - / - 0
394bsu3489018 38% 0.624 PF00117 0 - (0)? - / - / - 0
395bsu0075015 49% 0.591 PF00117 6 - (1)? - / - / - 0
396bsu335600 30% -0.157 PF00117 1 - (0)? - / - / - 0
397bsu1551017 48% 0.512 PF00117 0 - (0)? - / - / - 0
398bsu1123017 40% 0.509 PF00117 0 - (0)? - / - / - 0
399bsu3715019 73% 0.522 PF00117 C3_S16 - (0)4 - / - / 5 3
400bsu016504 45% 0.548 PF00118 6 - (1)? - / - / - 0

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