Q9HR42 - HALSA - GREMLIN Contacts

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Q9HR42 - Acyl-CoA hydrolase

UniProt:	Q9HR42	Sequences: MTDTVRLMESYTEMTEMLLPNDTNNLGRALGGTVLHWMDICAAIASMRFAGSQCVTASMDHVDFITAIEMGEVAVVEAYVFDTGSTSIDVKVDVHAEDPREGATRKTTSSFFTFVAVDDDGSPIPVPDLACESDAETGLRAAAMEAHEEQAHQEL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	155 (140)
Sequences:	3223 (1831)
Seq/√Len:	154.7

ECOLI - YCIA
BACSU - YKHA
HALSA - Q9HR42 Q9HMQ9
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
38_M	112_F	3.813	1.00
85_S	125_P	3.217	1.00
52_S	124_I	2.992	1.00
42_A	114_F	2.860	1.00
45_A	78_A	2.660	1.00
39_D	56_T	2.658	1.00
66_T	105_R	2.519	1.00
35_L	62_V	2.481	1.00
29_A	34_V	2.214	1.00
35_L	59_M	2.193	1.00
134_D	137_T	2.189	1.00
144_M	148_E	2.186	1.00
23_T	70_M	2.147	1.00
22_D	33_T	2.122	1.00
75_V	104_T	2.079	1.00
81_F	91_K	2.011	1.00
68_I	107_T	1.921	1.00
33_T	36_H	1.845	1.00
118_D	122_S	1.824	1.00
72_E	98_D	1.795	1.00
30_L	36_H	1.779	1.00
18_L	29_A	1.753	1.00
145_E	148_E	1.720	1.00
72_E	105_R	1.699	1.00
106_K	109_S	1.639	1.00
137_T	141_A	1.633	1.00
50_A	88_I	1.615	1.00
16_E	40_I	1.604	1.00
96_A	105_R	1.564	1.00
10_S	49_F	1.514	1.00
48_R	97_E	1.510	1.00
98_D	101_E	1.470	1.00
97_E	104_T	1.447	1.00
77_E	95_H	1.410	1.00
45_A	80_V	1.369	1.00
69_E	72_E	1.332	1.00
76_V	92_V	1.332	1.00
133_S	136_E	1.318	1.00
131_C	136_E	1.316	1.00
36_H	40_I	1.310	1.00
58_S	113_T	1.305	1.00
24_N	31_G	1.298	1.00
43_A	47_M	1.293	1.00
50_A	54_C	1.287	1.00
13_E	77_E	1.273	1.00
81_F	89_D	1.260	1.00
44_I	73_V	1.232	1.00
24_N	30_L	1.220	1.00
91_K	139_L	1.218	1.00
68_I	74_A	1.180	1.00
11_Y	77_E	1.173	1.00
81_F	139_L	1.144	1.00
93_D	106_K	1.135	1.00
55_V	117_V	1.118	1.00
82_D	144_M	1.111	0.99
135_A	138_G	1.110	0.99
13_E	75_V	1.103	0.99
141_A	144_M	1.100	0.99
49_F	88_I	1.090	0.99
16_E	37_W	1.089	0.99
41_C	76_V	1.088	0.99
22_D	37_W	1.086	0.99
49_F	80_V	1.086	0.99
82_D	89_D	1.069	0.99
91_K	111_F	1.067	0.99
46_S	54_C	1.059	0.99
84_G	87_S	1.058	0.99
87_S	115_V	1.057	0.99
95_H	104_T	1.044	0.99
11_Y	79_Y	1.025	0.99
60_D	111_F	1.023	0.99
49_F	128_D	1.018	0.99
86_T	123_P	1.014	0.99
131_C	140_R	1.007	0.99
41_C	78_A	0.992	0.99
72_E	96_A	0.977	0.99
88_I	126_V	0.972	0.99
117_V	123_P	0.966	0.99
140_R	143_A	0.965	0.99
80_V	88_I	0.963	0.99
81_F	111_F	0.961	0.99
49_F	129_L	0.960	0.99
134_D	138_G	0.944	0.98
141_A	145_E	0.942	0.98
45_A	90_V	0.932	0.98
143_A	146_A	0.931	0.98
92_V	112_F	0.921	0.98
89_D	146_A	0.907	0.98
89_D	113_T	0.898	0.98
12_T	45_A	0.894	0.98
142_A	145_E	0.871	0.97
60_D	113_T	0.864	0.97
138_G	142_A	0.860	0.97
31_G	64_F	0.857	0.97
83_T	131_C	0.850	0.97
39_D	55_V	0.849	0.97
95_H	106_K	0.849	0.97
29_A	33_T	0.848	0.97
59_M	112_F	0.841	0.97
34_V	108_T	0.840	0.97
42_A	92_V	0.838	0.97
38_M	110_S	0.831	0.96
91_K	109_S	0.825	0.96
34_V	68_I	0.818	0.96
75_V	95_H	0.815	0.96
82_D	140_R	0.810	0.96
77_E	93_D	0.797	0.95
19_L	40_I	0.796	0.95
34_V	74_A	0.792	0.95
27_G	71_G	0.788	0.95
19_L	30_L	0.783	0.95
37_W	76_V	0.780	0.95
93_D	109_S	0.780	0.95
37_W	40_I	0.774	0.95
132_E	136_E	0.773	0.95
89_D	111_F	0.771	0.94
37_W	74_A	0.765	0.94
79_Y	91_K	0.765	0.94
26_L	117_V	0.765	0.94
73_V	99_P	0.763	0.94
131_C	137_T	0.763	0.94
28_R	69_E	0.754	0.94
142_A	146_A	0.751	0.94
34_V	94_V	0.750	0.94
14_M	40_I	0.750	0.94
42_A	90_V	0.740	0.93
14_M	41_C	0.740	0.93
82_D	143_A	0.727	0.93
42_A	112_F	0.723	0.92
57_A	63_D	0.723	0.92
15_T	18_L	0.721	0.92
133_S	137_T	0.706	0.91
58_S	63_D	0.695	0.91
60_D	89_D	0.692	0.91
29_A	68_I	0.690	0.91
57_A	87_S	0.687	0.90
132_E	137_T	0.680	0.90
47_M	99_P	0.676	0.90
98_D	103_A	0.674	0.89
57_A	115_V	0.667	0.89
85_S	141_A	0.666	0.89
46_S	90_V	0.664	0.89
35_L	112_F	0.649	0.88
135_A	139_L	0.648	0.88
21_N	36_H	0.645	0.87
134_D	141_A	0.642	0.87
143_A	147_H	0.639	0.87
33_T	37_W	0.637	0.87
90_V	114_F	0.634	0.86
99_P	102_G	0.634	0.86
78_A	92_V	0.633	0.86
23_T	71_G	0.629	0.86
20_P	113_T	0.619	0.85
43_A	114_F	0.617	0.85
25_N	28_R	0.613	0.85
28_R	108_T	0.612	0.84
64_F	71_G	0.611	0.84
68_I	94_V	0.605	0.84
55_V	87_S	0.600	0.83
19_L	25_N	0.595	0.83
29_A	37_W	0.593	0.83
52_S	116_A	0.588	0.82
62_V	110_S	0.586	0.82
80_V	83_T	0.586	0.82
84_G	115_V	0.583	0.82
138_G	145_E	0.582	0.81
98_D	124_I	0.581	0.81
46_S	114_F	0.576	0.81
117_V	135_A	0.569	0.80
119_D	124_I	0.568	0.80
118_D	124_I	0.559	0.79
58_S	61_H	0.557	0.79
85_S	123_P	0.556	0.78
118_D	123_P	0.556	0.78
34_V	59_M	0.553	0.78
98_D	105_R	0.552	0.78
45_A	49_F	0.552	0.78
18_L	99_P	0.551	0.78
51_G	102_G	0.547	0.77
130_A	137_T	0.547	0.77
93_D	111_F	0.545	0.77
81_F	93_D	0.545	0.77
60_D	65_I	0.543	0.77
38_M	94_V	0.543	0.77
40_I	44_I	0.542	0.77
56_T	127_P	0.541	0.77
38_M	76_V	0.541	0.77
94_V	109_S	0.540	0.76
120_D	123_P	0.540	0.76
38_M	62_V	0.534	0.76
39_D	84_G	0.531	0.75
46_S	88_I	0.530	0.75
20_P	70_M	0.528	0.75
49_F	83_T	0.527	0.75
16_E	62_V	0.526	0.75
100_R	119_D	0.523	0.74
28_R	33_T	0.522	0.74
75_V	97_E	0.522	0.74
50_A	126_V	0.517	0.73
18_L	114_F	0.517	0.73
44_I	48_R	0.517	0.73
80_V	90_V	0.516	0.73
139_L	142_A	0.516	0.73
50_A	53_Q	0.515	0.73
13_E	78_A	0.514	0.73
48_R	75_V	0.513	0.73
49_F	126_V	0.513	0.73
84_G	147_H	0.511	0.72
49_F	110_S	0.503	0.71
26_L	53_Q	0.500	0.71

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	0.9355	100	0.32	Contact Map
4ncpA	5	0.9871	100	0.325	Contact Map
4zv3A	3	0.9548	100	0.38	Contact Map
1y7uA	5	0.9806	99.9	0.409	Contact Map
2qq2A	5	0.9871	99.9	0.417	Contact Map
2q2bA	5	0.9097	99.9	0.422	Contact Map
1vpmA	5	1	99.9	0.43	Contact Map
4ienA	5	0.9677	99.9	0.468	Contact Map
2v1oA	5	0.9032	99.9	0.495	Contact Map
2gvhA	3	0.7935	99.8	0.55	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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