4OT - BACSU - GREMLIN Contacts

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4OT - 2-hydroxymuconate tautomerase

UniProt:	P70994	Sequences: MPYVTVKMLEGRTDEQKRNLVEKVTEAVKETTGASEEKIVVFIEEMRKDHYAVAGKRLSDME	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	62 (59)
Sequences:	459 (312)
Seq/√Len:	40.6

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
23_K	30_E	3.568	1.00
21_V	52_A	3.493	1.00
29_K	39_I	2.238	1.00
25_T	36_E	1.999	0.99
4_V	28_V	1.973	0.99
13_T	16_Q	1.958	0.99
46_M	51_Y	1.923	0.99
14_D	49_D	1.883	0.98
6_V	24_V	1.859	0.98
7_K	44_E	1.847	0.98
20_L	28_V	1.823	0.98
53_V	58_L	1.745	0.97
26_E	36_E	1.574	0.95
27_A	31_T	1.484	0.93
45_E	50_H	1.443	0.92
32_T	40_V	1.404	0.91
26_E	30_E	1.368	0.90
17_K	43_I	1.355	0.90
5_T	44_E	1.247	0.85
3_Y	42_F	1.243	0.85
22_E	26_E	1.212	0.84
24_V	27_A	1.147	0.80
41_V	52_A	1.146	0.80
10_E	47_R	1.139	0.80
35_S	38_K	1.137	0.80
22_E	30_E	1.116	0.78
17_K	50_H	1.069	0.75
7_K	46_M	1.055	0.74
3_Y	7_K	1.042	0.73
19_N	31_T	1.021	0.72
18_R	57_R	1.002	0.70
3_Y	51_Y	0.998	0.70
22_E	56_K	0.995	0.70
3_Y	53_V	0.941	0.66
8_M	43_I	0.922	0.64
20_L	24_V	0.920	0.64
21_V	57_R	0.883	0.61
42_F	46_M	0.848	0.57
23_K	31_T	0.812	0.54
4_V	41_V	0.801	0.53
19_N	23_K	0.791	0.52
29_K	38_K	0.788	0.52
6_V	45_E	0.763	0.50
5_T	46_M	0.762	0.50
18_R	35_S	0.760	0.49
14_D	18_R	0.752	0.49
47_R	50_H	0.744	0.48
39_I	57_R	0.733	0.47
42_F	51_Y	0.727	0.46
53_V	59_S	0.721	0.46
16_Q	43_I	0.719	0.46
40_V	58_L	0.712	0.45
25_T	29_K	0.699	0.44
29_K	33_G	0.686	0.43
40_V	51_Y	0.666	0.41
29_K	36_E	0.663	0.41
21_V	41_V	0.663	0.41
14_D	57_R	0.661	0.40
5_T	22_E	0.646	0.39
25_T	39_I	0.638	0.38
8_M	17_K	0.634	0.38
49_D	57_R	0.629	0.38
50_H	54_A	0.626	0.37
19_N	22_E	0.626	0.37
25_T	55_G	0.623	0.37
29_K	54_A	0.614	0.36
28_V	41_V	0.614	0.36
3_Y	40_V	0.608	0.36
34_A	45_E	0.600	0.35
15_E	37_E	0.599	0.35
13_T	17_K	0.597	0.35
13_T	45_E	0.593	0.34
36_E	39_I	0.589	0.34
4_V	8_M	0.588	0.34
14_D	56_K	0.572	0.33
6_V	43_I	0.568	0.32
40_V	53_V	0.567	0.32
34_A	38_K	0.558	0.32
9_L	12_R	0.549	0.31
17_K	45_E	0.545	0.31
2_P	25_T	0.544	0.30
27_A	54_A	0.544	0.30
8_M	26_E	0.529	0.29
15_E	48_K	0.527	0.29
14_D	20_L	0.518	0.28
32_T	36_E	0.512	0.28
4_V	24_V	0.502	0.27
20_L	31_T	0.500	0.27

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
3ej9B	3	0.9516	99.6	0.318	Contact Map
3ej9A	3	0.9839	99.5	0.343	Contact Map
4u5rA	3	0.9839	99.5	0.362	Contact Map
3abfA	4	1	99.5	0.363	Contact Map
3mb2A	5	1	99.5	0.366	Contact Map
2x4kA	4	0.9677	99.4	0.369	Contact Map
4m1aA	4	0.871	99.4	0.37	Contact Map
3m20A	5	0.9516	99.4	0.377	Contact Map
2opaA	4	0.9839	99.4	0.381	Contact Map
4x1cC	5	0.9839	99.4	0.389	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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