MENI - ECOLI - GREMLIN Contacts

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MENI - 1,4-dihydroxy-2-naphthoyl-CoA hydrolase

UniProt:	P77781	Sequences: MIWKRKITLEALNAMGEGNMVGFLDIRFEHIGDDTLEATMPVDSRTKQPFGLLHGGASVVLAESIGSVAGYLCTEGEQKVVGLEINANHVRSAREGRVRGVCKPLHLGSRHQVWQIEIFDEKGRLCCSSRLTTAIL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13968
Length:	136 (119)
Sequences:	3208 (2123)
Seq/√Len:	194.6

ECOLI - MENI ENTH YIGI PAAI
BACSU - COMA2
HALSA - Y1336
SULSO - Q97VK2 Y2140 Q97UX9 Y1253

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_T	97_R	3.380	1.00
83_L	111_H	2.478	1.00
30_H	37_E	2.469	1.00
27_R	39_T	2.439	1.00
38_A	65_I	2.429	1.00
29_E	39_T	2.412	1.00
91_R	124_R	2.248	1.00
65_I	100_G	2.215	1.00
30_H	35_T	2.203	1.00
101_V	119_F	2.181	1.00
106_H	111_H	2.068	1.00
62_A	129_S	2.016	1.00
120_D	124_R	2.016	1.00
117_E	125_L	1.998	1.00
66_G	131_L	1.942	1.00
32_G	35_T	1.937	1.00
35_T	101_V	1.917	1.00
37_E	101_V	1.899	1.00
104_P	107_L	1.880	1.00
40_M	57_A	1.873	1.00
39_T	99_R	1.819	1.00
59_V	85_I	1.817	1.00
20_M	57_A	1.812	1.00
70_G	133_T	1.782	1.00
35_T	103_K	1.709	1.00
66_G	116_I	1.673	1.00
75_E	78_Q	1.659	1.00
70_G	112_Q	1.648	1.00
20_M	60_V	1.641	1.00
59_V	87_A	1.522	1.00
87_A	127_C	1.479	1.00
62_A	116_I	1.446	1.00
84_E	88_N	1.414	1.00
37_E	99_R	1.399	1.00
117_E	128_S	1.395	1.00
44_S	47_K	1.334	1.00
52_L	81_V	1.324	1.00
58_S	126_C	1.306	1.00
119_F	123_G	1.284	1.00
115_Q	128_S	1.278	1.00
103_K	117_E	1.270	1.00
58_S	118_I	1.227	1.00
26_I	38_A	1.219	1.00
105_L	128_S	1.214	1.00
50_F	71_Y	1.199	1.00
103_K	115_Q	1.174	1.00
58_S	127_C	1.168	1.00
93_A	126_C	1.164	1.00
69_A	114_W	1.151	1.00
88_N	113_V	1.097	1.00
41_P	97_R	1.081	1.00
43_D	46_T	1.074	1.00
56_G	60_V	1.049	1.00
25_D	45_R	1.043	1.00
29_E	37_E	1.036	1.00
90_V	113_V	1.031	1.00
42_V	53_L	1.022	1.00
17_E	22_G	1.014	1.00
34_D	72_L	1.004	1.00
28_F	38_A	0.992	1.00
58_S	89_H	0.988	0.99
53_L	98_V	0.986	0.99
71_Y	80_V	0.975	0.99
90_V	106_H	0.973	0.99
63_E	82_G	0.959	0.99
86_N	130_R	0.954	0.99
21_V	64_S	0.952	0.99
61_L	100_G	0.923	0.99
23_F	45_R	0.914	0.99
52_L	92_S	0.907	0.99
74_T	80_V	0.900	0.99
71_Y	79_K	0.900	0.99
99_R	119_F	0.897	0.99
90_V	125_L	0.895	0.99
73_C	107_L	0.889	0.99
100_G	116_I	0.884	0.99
24_L	60_V	0.881	0.99
47_K	95_E	0.875	0.99
62_A	118_I	0.874	0.99
34_D	104_P	0.858	0.99
105_L	115_Q	0.857	0.99
88_N	132_T	0.856	0.99
101_V	123_G	0.837	0.98
27_R	97_R	0.833	0.98
99_R	121_E	0.827	0.98
97_R	121_E	0.822	0.98
90_V	128_S	0.819	0.98
85_I	89_H	0.812	0.98
70_G	80_V	0.797	0.98
116_I	131_L	0.797	0.98
69_A	102_C	0.795	0.98
106_H	113_V	0.793	0.98
84_E	130_R	0.786	0.97
26_I	40_M	0.775	0.97
31_I	72_L	0.770	0.97
87_A	129_S	0.769	0.97
115_Q	130_R	0.769	0.97
55_G	89_H	0.753	0.97
28_F	68_V	0.750	0.97
40_M	61_L	0.742	0.96
104_P	114_W	0.734	0.96
112_Q	133_T	0.732	0.96
26_I	60_V	0.726	0.96
53_L	58_S	0.718	0.96
16_G	22_G	0.710	0.95
91_R	106_H	0.707	0.95
93_A	98_V	0.695	0.95
41_P	46_T	0.693	0.95
91_R	120_D	0.692	0.95
102_C	114_W	0.684	0.94
98_V	126_C	0.684	0.94
42_V	98_V	0.676	0.94
119_F	125_L	0.675	0.94
33_D	73_C	0.674	0.94
50_F	79_K	0.673	0.94
57_A	98_V	0.672	0.94
40_M	53_L	0.670	0.94
111_H	134_A	0.669	0.94
36_L	69_A	0.661	0.93
46_T	53_L	0.658	0.93
83_L	88_N	0.657	0.93
113_V	132_T	0.655	0.93
19_N	47_K	0.653	0.93
52_L	94_R	0.653	0.93
59_V	89_H	0.649	0.93
36_L	72_L	0.649	0.93
63_E	67_S	0.646	0.93
81_V	134_A	0.645	0.93
59_V	129_S	0.619	0.91
26_I	61_L	0.617	0.91
46_T	57_A	0.617	0.91
47_K	94_R	0.617	0.91
19_N	22_G	0.615	0.91
100_G	118_I	0.606	0.90
31_I	68_V	0.602	0.90
33_D	107_L	0.590	0.89
93_A	120_D	0.590	0.89
113_V	130_R	0.589	0.89
59_V	131_L	0.587	0.89
83_L	134_A	0.582	0.88
74_T	77_E	0.581	0.88
65_I	116_I	0.573	0.87
48_Q	66_G	0.571	0.87
69_A	104_P	0.568	0.87
19_N	23_F	0.567	0.87
73_C	112_Q	0.566	0.87
58_S	63_E	0.566	0.87
73_C	104_P	0.565	0.87
31_I	36_L	0.564	0.87
18_G	22_G	0.563	0.86
28_F	31_I	0.562	0.86
34_D	73_C	0.561	0.86
114_W	133_T	0.559	0.86
83_L	132_T	0.546	0.85
67_S	82_G	0.543	0.84
70_G	114_W	0.540	0.84
99_R	123_G	0.537	0.84
99_R	120_D	0.536	0.84
29_E	38_A	0.536	0.84
27_R	41_P	0.536	0.84
33_D	72_L	0.533	0.83
34_D	107_L	0.531	0.83
98_V	118_I	0.525	0.82
38_A	64_S	0.524	0.82
101_V	117_E	0.523	0.82
49_P	67_S	0.522	0.82
48_Q	52_L	0.521	0.82
103_K	119_F	0.519	0.82
50_F	81_V	0.519	0.82
88_N	130_R	0.519	0.82
66_G	133_T	0.517	0.81
62_A	100_G	0.517	0.81
42_V	46_T	0.511	0.81
25_D	43_D	0.508	0.80
78_Q	107_L	0.506	0.80
65_I	102_C	0.506	0.80
48_Q	67_S	0.502	0.80
20_M	23_F	0.500	0.79

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
4k4cA	2	1	100	0.323	Contact Map
1vh5A	2	1	100	0.325	Contact Map
4qd8A	3	1	100	0.334	Contact Map
3lmbA	2	0.9853	100	0.34	Contact Map
4rmmA	2	0.9559	99.9	0.351	Contact Map
1sc0A	1	0.9926	99.9	0.356	Contact Map
1yocA	4	0.9853	99.9	0.357	Contact Map
3gekA	3	0.875	99.9	0.362	Contact Map
1t82A	2	0.9632	99.9	0.366	Contact Map
3e8pA	3	1	99.9	0.366	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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