SBMC - ECOLI - GREMLIN Contacts

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SBMC - DNA gyrase inhibitor

UniProt:	P33012	Sequences: MNYEIKQEEKRTVAGFHLVGPWEQTVKKGFEQLMMWVDSKNIVPKEWVAVYYDNPDETPAEKLRCDTVVTVPGYFTLPENSEGVILTEITGGQYAVAVARVVGDDFAKPWYQFFNSLLQDSAYEMLPKPCFEVYLNNGAEDGYWDIEMYVAVQPKHH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11892
Length:	157 (147)
Sequences:	1157 (863)
Seq/√Len:	71.2

ECOLI - SBMC YGIV
BACSU - YOST

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
98_V	147_E	3.778	1.00
12_T	86_L	3.465	1.00
93_Q	123_Y	2.888	1.00
53_D	64_R	2.722	1.00
117_L	121_S	2.715	1.00
10_K	91_G	2.525	1.00
13_V	68_V	2.426	1.00
133_V	147_E	2.399	1.00
124_E	153_Q	2.383	1.00
59_P	62_K	2.382	1.00
16_F	29_G	2.373	1.00
17_H	66_D	2.340	1.00
123_Y	152_V	2.300	1.00
36_W	84_V	2.099	1.00
10_K	88_E	2.014	1.00
15_G	87_T	1.999	1.00
100_R	145_D	1.950	1.00
136_N	144_W	1.911	1.00
21_P	60_A	1.855	1.00
51_Y	65_C	1.816	1.00
49_A	65_C	1.796	1.00
33_L	37_V	1.774	1.00
46_E	133_V	1.761	1.00
48_V	133_V	1.756	1.00
110_W	148_M	1.723	1.00
118_L	121_S	1.713	1.00
137_N	140_E	1.653	1.00
101_V	146_I	1.646	0.99
135_L	145_D	1.641	0.99
66_D	87_T	1.577	0.99
46_E	70_T	1.576	0.99
97_A	113_F	1.572	0.99
90_T	128_K	1.556	0.99
110_W	132_E	1.552	0.99
52_Y	87_T	1.522	0.99
22_W	63_L	1.476	0.99
141_D	144_W	1.465	0.99
13_V	89_I	1.452	0.99
14_A	84_V	1.444	0.99
51_Y	132_E	1.404	0.98
131_F	149_Y	1.378	0.98
98_V	145_D	1.375	0.98
37_V	69_V	1.352	0.98
30_F	65_C	1.346	0.98
49_A	67_T	1.344	0.98
15_G	85_I	1.337	0.98
3_Y	117_L	1.328	0.98
113_F	150_V	1.324	0.98
16_F	33_L	1.245	0.96
8_E	131_F	1.243	0.96
52_Y	66_D	1.242	0.96
99_A	109_P	1.241	0.96
11_R	46_E	1.224	0.96
51_Y	63_L	1.220	0.96
32_Q	83_G	1.197	0.96
126_L	153_Q	1.189	0.95
29_G	67_T	1.185	0.95
14_A	71_V	1.174	0.95
26_V	67_T	1.152	0.95
40_K	81_S	1.147	0.94
49_A	134_Y	1.121	0.94
97_A	109_P	1.116	0.94
19_V	62_K	1.107	0.93
30_F	67_T	1.073	0.92
96_V	147_E	1.060	0.92
6_K	149_Y	1.058	0.92
101_V	144_W	1.045	0.91
100_R	143_Y	1.040	0.91
103_G	144_W	1.031	0.91
30_F	63_L	1.024	0.90
99_A	105_D	1.008	0.90
8_E	11_R	1.006	0.89
92_G	126_L	0.991	0.89
7_Q	93_Q	0.985	0.88
6_K	147_E	0.982	0.88
26_V	65_C	0.977	0.88
102_V	146_I	0.972	0.88
6_K	96_V	0.971	0.88
16_F	32_Q	0.954	0.87
103_G	146_I	0.945	0.86
109_P	148_M	0.943	0.86
96_V	149_Y	0.939	0.86
101_V	106_F	0.939	0.86
30_F	51_Y	0.926	0.85
17_H	52_Y	0.925	0.85
53_D	132_E	0.924	0.85
116_S	120_D	0.913	0.84
95_A	117_L	0.913	0.84
114_F	118_L	0.911	0.84
110_W	130_C	0.911	0.84
138_G	144_W	0.899	0.83
77_L	86_L	0.885	0.82
33_L	69_V	0.881	0.82
53_D	62_K	0.874	0.82
65_C	106_F	0.872	0.81
133_V	149_Y	0.857	0.80
30_F	101_V	0.855	0.80
111_Y	115_N	0.851	0.80
118_L	125_M	0.850	0.80
126_L	149_Y	0.849	0.80
24_Q	28_K	0.839	0.79
26_V	30_F	0.831	0.78
81_S	84_V	0.817	0.77
54_N	57_E	0.809	0.76
13_V	87_T	0.809	0.76
15_G	82_E	0.808	0.76
7_Q	91_G	0.785	0.74
53_D	58_T	0.784	0.74
19_V	53_D	0.782	0.74
103_G	134_Y	0.773	0.73
71_V	75_F	0.769	0.73
119_Q	122_A	0.757	0.71
27_K	31_E	0.756	0.71
31_E	35_M	0.739	0.70
106_F	110_W	0.733	0.69
16_F	84_V	0.730	0.69
33_L	67_T	0.727	0.68
28_K	120_D	0.726	0.68
108_K	112_Q	0.725	0.68
8_E	149_Y	0.724	0.68
8_E	94_Y	0.722	0.68
32_Q	62_K	0.717	0.67
50_V	151_A	0.717	0.67
45_K	89_I	0.716	0.67
17_H	21_P	0.715	0.67
98_V	131_F	0.707	0.66
22_W	55_P	0.702	0.66
10_K	90_T	0.701	0.66
28_K	31_E	0.699	0.65
136_N	146_I	0.695	0.65
3_Y	113_F	0.689	0.64
100_R	135_L	0.689	0.64
15_G	66_D	0.687	0.64
82_E	85_I	0.686	0.64
35_M	39_S	0.684	0.64
53_D	110_W	0.680	0.63
51_Y	105_D	0.675	0.63
114_F	125_M	0.675	0.63
18_L	26_V	0.675	0.63
105_D	108_K	0.674	0.63
19_V	64_R	0.672	0.62
94_Y	131_F	0.672	0.62
135_L	149_Y	0.671	0.62
28_K	32_Q	0.669	0.62
36_W	40_K	0.662	0.61
12_T	74_Y	0.658	0.61
4_E	96_V	0.654	0.60
10_K	81_S	0.651	0.60
13_V	48_V	0.650	0.60
14_A	69_V	0.649	0.60
71_V	74_Y	0.646	0.59
51_Y	131_F	0.644	0.59
63_L	67_T	0.641	0.59
49_A	129_P	0.639	0.58
26_V	34_M	0.637	0.58
11_R	89_I	0.634	0.58
141_D	146_I	0.630	0.57
91_G	151_A	0.628	0.57
94_Y	113_F	0.625	0.57
89_I	108_K	0.624	0.57
106_F	146_I	0.621	0.56
31_E	96_V	0.621	0.56
17_H	20_G	0.617	0.56
127_P	153_Q	0.614	0.55
112_Q	116_S	0.613	0.55
41_N	90_T	0.610	0.55
29_G	33_L	0.608	0.55
3_Y	121_S	0.606	0.54
49_A	150_V	0.602	0.54
8_E	151_A	0.597	0.53
55_P	64_R	0.597	0.53
30_F	97_A	0.596	0.53
77_L	82_E	0.593	0.53
42_I	76_T	0.590	0.53
105_D	142_G	0.589	0.52
12_T	124_E	0.588	0.52
18_L	29_G	0.586	0.52
94_Y	128_K	0.584	0.52
50_V	68_V	0.579	0.51
14_A	36_W	0.578	0.51
106_F	124_E	0.576	0.51
101_V	110_W	0.575	0.51
32_Q	121_S	0.575	0.51
66_D	91_G	0.574	0.51
15_G	68_V	0.572	0.50
15_G	67_T	0.570	0.50
38_D	43_V	0.570	0.50
37_V	43_V	0.564	0.49
12_T	72_P	0.564	0.49
137_N	141_D	0.561	0.49
118_L	150_V	0.560	0.49
12_T	88_E	0.560	0.49
147_E	151_A	0.559	0.49
52_Y	58_T	0.559	0.49
73_G	91_G	0.558	0.49
103_G	106_F	0.556	0.48
65_C	132_E	0.549	0.47
34_M	50_V	0.547	0.47
108_K	115_N	0.546	0.47
9_E	12_T	0.546	0.47
90_T	94_Y	0.544	0.47
12_T	71_V	0.543	0.47
71_V	77_L	0.542	0.47
106_F	144_W	0.541	0.47
75_F	89_I	0.540	0.46
72_P	91_G	0.540	0.46
83_G	152_V	0.539	0.46
76_T	82_E	0.534	0.46
71_V	86_L	0.533	0.46
3_Y	97_A	0.529	0.45
48_V	68_V	0.523	0.44
103_G	142_G	0.517	0.44
64_R	132_E	0.515	0.43
54_N	58_T	0.508	0.43
54_N	112_Q	0.505	0.42
5_I	114_F	0.504	0.42
14_A	34_M	0.503	0.42
60_A	107_A	0.501	0.42
4_E	43_V	0.500	0.42
95_A	121_S	0.500	0.42

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
1jyhA	1	0.9873	100	0.303	Contact Map
3b49A	1	0.9682	100	0.369	Contact Map
3lurA	1	0.9299	100	0.421	Contact Map
3gk6A	1	0.879	100	0.437	Contact Map
3e0hA	1	0.9299	99.9	0.455	Contact Map
1r8eA	2	0.949	99.9	0.463	Contact Map
1d5yA	1	0.949	99.9	0.468	Contact Map
4b0yA	1	0.9299	98.7	0.774	Contact Map
2govA	1	0.949	97.4	0.836	Contact Map
3r8jA	1	0.9554	97.1	0.845	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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