Q9HMQ9 - HALSA - GREMLIN Contacts

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Q9HMQ9 - Acyl-CoA thioester hydrolase

UniProt:	Q9HMQ9	Sequences: MGSISDTFMENRERVQPDDTNNYASAHGGNVVKWMDEIGAMAAMRHAGKTCVTARINSLDFERPVPQGDICVIQAYAYDTGHTSIKVRLRAFREDPRSGETEPTTDSYFVFVAVDDDMQPTAVPDLDVGSERCRELREAALAGEHDE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	147 (132)
Sequences:	3441 (1898)
Seq/√Len:	165.2

ECOLI - YCIA
BACSU - YKHA
HALSA - Q9HMQ9 Q9HR42
SULSO - Q97WD9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
35_M	109_F	3.721	1.00
82_H	122_A	3.201	1.00
49_K	121_T	2.775	1.00
39_G	111_F	2.771	1.00
36_D	53_T	2.717	1.00
42_A	75_A	2.668	1.00
63_R	102_E	2.548	1.00
32_V	56_I	2.409	1.00
32_V	59_L	2.323	1.00
26_A	31_V	2.279	1.00
131_E	134_R	2.226	1.00
20_T	67_Q	2.222	1.00
72_V	101_T	2.194	1.00
78_Y	88_R	2.028	1.00
19_D	30_N	1.966	1.00
103_P	106_D	1.779	1.00
65_V	104_T	1.765	1.00
30_N	33_K	1.764	1.00
69_D	102_E	1.742	1.00
115_D	119_Q	1.716	1.00
69_D	95_D	1.715	1.00
27_H	33_K	1.677	1.00
13_E	37_E	1.645	1.00
134_R	138_E	1.608	1.00
93_R	102_E	1.597	1.00
79_D	86_K	1.593	1.00
15_V	26_A	1.572	1.00
47_A	85_I	1.532	1.00
95_D	98_S	1.426	1.00
94_E	101_T	1.375	1.00
55_R	110_V	1.357	1.00
41_M	70_I	1.354	1.00
66_P	69_D	1.354	1.00
45_R	94_E	1.352	1.00
74_Q	92_F	1.321	1.00
65_V	71_C	1.301	1.00
73_I	89_L	1.293	1.00
10_E	74_Q	1.271	1.00
46_H	77_A	1.271	1.00
40_A	44_M	1.265	1.00
90_R	103_P	1.254	1.00
78_Y	86_K	1.253	1.00
52_V	114_V	1.248	1.00
57_N	108_Y	1.228	1.00
42_A	77_A	1.215	1.00
128_V	133_C	1.183	1.00
88_R	108_Y	1.177	1.00
21_N	28_G	1.175	1.00
33_K	37_E	1.156	1.00
81_G	84_S	1.148	1.00
47_A	51_C	1.143	1.00
130_S	133_C	1.122	1.00
21_N	27_H	1.104	1.00
88_R	136_L	1.092	1.00
92_F	101_T	1.085	1.00
23_Y	114_V	1.085	1.00
88_R	106_D	1.080	1.00
128_V	137_R	1.078	1.00
46_H	85_I	1.077	1.00
85_I	123_V	1.070	0.99
8_F	74_Q	1.069	0.99
132_R	135_E	1.059	0.99
46_H	125_D	1.047	0.99
76_Y	88_R	1.046	0.99
19_D	34_W	1.042	0.99
78_Y	136_L	1.029	0.99
77_A	85_I	1.023	0.99
10_E	72_V	1.020	0.99
89_L	109_F	1.000	0.99
86_K	110_V	0.987	0.99
13_E	34_W	0.980	0.99
42_A	87_V	0.976	0.99
8_F	76_Y	0.975	0.99
43_A	51_C	0.960	0.99
83_T	120_P	0.958	0.99
35_M	107_S	0.953	0.99
131_E	135_E	0.952	0.99
69_D	93_R	0.947	0.99
86_K	108_Y	0.938	0.99
34_W	37_E	0.929	0.99
54_A	60_D	0.923	0.98
56_I	109_F	0.912	0.98
135_E	139_A	0.911	0.98
78_Y	108_Y	0.910	0.98
92_F	103_P	0.904	0.98
31_V	65_V	0.882	0.98
38_I	73_I	0.878	0.98
38_I	75_A	0.875	0.98
36_D	52_V	0.872	0.98
47_A	50_T	0.868	0.98
84_S	112_V	0.862	0.98
39_G	109_F	0.849	0.97
80_T	123_V	0.846	0.97
46_H	126_L	0.845	0.97
95_D	100_E	0.842	0.97
26_A	30_N	0.840	0.97
80_T	128_V	0.839	0.97
79_D	137_R	0.828	0.97
72_V	92_F	0.823	0.97
25_S	66_P	0.811	0.97
9_M	42_A	0.798	0.96
46_H	80_T	0.797	0.96
31_V	105_T	0.797	0.96
31_V	91_A	0.785	0.96
57_N	110_V	0.783	0.96
131_E	138_E	0.782	0.96
114_V	120_P	0.772	0.95
42_A	46_H	0.772	0.95
34_W	73_I	0.767	0.95
115_D	120_P	0.759	0.95
28_G	61_F	0.745	0.94
57_N	86_K	0.745	0.94
77_A	87_V	0.743	0.94
11_N	37_E	0.743	0.94
16_Q	37_E	0.742	0.94
11_N	38_I	0.736	0.94
16_Q	27_H	0.735	0.94
95_D	102_E	0.731	0.94
24_A	68_G	0.721	0.93
128_V	134_R	0.721	0.93
129_G	133_C	0.718	0.93
39_G	89_L	0.717	0.93
129_G	134_R	0.714	0.93
130_S	134_R	0.706	0.93
49_K	113_A	0.699	0.92
40_A	111_F	0.696	0.92
76_Y	90_R	0.694	0.92
35_M	89_L	0.692	0.92
132_R	136_L	0.691	0.92
54_A	84_S	0.689	0.92
39_G	87_V	0.687	0.92
25_S	105_T	0.684	0.92
96_P	99_G	0.679	0.91
113_A	123_V	0.672	0.91
90_R	106_D	0.667	0.91
16_Q	22_N	0.664	0.90
18_D	33_K	0.663	0.90
20_T	68_G	0.663	0.90
127_D	134_R	0.663	0.90
79_D	110_V	0.661	0.90
75_A	89_L	0.657	0.90
32_V	109_F	0.654	0.90
70_I	96_P	0.652	0.90
26_A	34_W	0.649	0.89
30_N	34_W	0.640	0.89
48_G	99_G	0.639	0.89
55_R	60_D	0.639	0.89
74_Q	90_R	0.630	0.88
113_A	121_T	0.630	0.88
26_A	65_V	0.628	0.88
87_V	111_F	0.628	0.88
77_A	80_T	0.619	0.87
116_D	121_T	0.617	0.87
136_L	139_A	0.615	0.87
73_I	91_A	0.614	0.87
34_W	71_C	0.613	0.86
25_S	30_N	0.612	0.86
17_P	110_V	0.608	0.86
82_H	120_P	0.607	0.86
82_H	138_E	0.604	0.86
12_R	15_V	0.599	0.85
53_T	56_I	0.598	0.85
90_R	108_Y	0.597	0.85
44_M	96_P	0.593	0.85
36_D	81_G	0.576	0.83
52_V	84_S	0.573	0.83
57_N	62_E	0.570	0.82
65_V	91_A	0.570	0.82
115_D	121_T	0.570	0.82
78_Y	90_R	0.569	0.82
43_A	87_V	0.569	0.82
35_M	91_A	0.563	0.81
61_F	68_G	0.560	0.81
129_G	135_E	0.555	0.81
66_P	118_M	0.552	0.80
51_C	111_F	0.552	0.80
53_T	124_P	0.546	0.79
31_V	71_C	0.546	0.79
81_G	112_V	0.540	0.79
37_E	41_M	0.540	0.79
83_T	122_A	0.536	0.78
129_G	138_E	0.535	0.78
126_L	137_R	0.531	0.78
43_A	85_I	0.531	0.78
43_A	111_F	0.528	0.77
30_N	37_E	0.524	0.77
45_R	72_V	0.523	0.77
54_A	112_V	0.521	0.76
55_R	58_S	0.520	0.76
62_E	79_D	0.519	0.76
48_G	94_E	0.518	0.76
76_Y	136_L	0.515	0.75
116_D	122_A	0.513	0.75
97_R	116_D	0.511	0.75
114_V	118_M	0.510	0.75
22_N	25_S	0.504	0.74
83_T	112_V	0.503	0.74
94_E	99_G	0.500	0.73

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
4mobA	3	0.9524	100	0.308	Contact Map
4ncpA	5	1	100	0.315	Contact Map
4zv3A	3	0.9932	100	0.351	Contact Map
1y7uA	5	1	99.9	0.403	Contact Map
2qq2A	5	1	99.9	0.405	Contact Map
2q2bA	5	0.9524	99.9	0.411	Contact Map
1vpmA	5	1	99.9	0.43	Contact Map
4ienA	5	0.9864	99.9	0.478	Contact Map
2v1oA	5	0.932	99.9	0.491	Contact Map
2gvhA	3	1	99.8	0.538	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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