Q9HRJ2 - HALSA - GREMLIN Contacts

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Q9HRJ2 - Methylmalonyl-CoA mutase

UniProt:	Q9HRJ2	Sequences: MSEDSTRNVRCLVAKVGLDGHDRGAHVITRAFRDAGFEVIYSGLHKAPDEIVQAAVQEDVDVLGISILSGAHNTLVPKIIEGLAEYDAAEDTLVIVGGIIPDEDRADLEAAGVDAIFGPGTPMADTISFIESNAPHRD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	138 (127)
Sequences:	1670 (611)
Seq/√Len:	54.2

ECOLI - SCPA
HALSA - Q9HRJ2
SULSO - Q97WF7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
12_L	60_V	4.770	1.00
76_V	96_V	4.439	1.00
109_E	115_A	3.296	1.00
106_A	110_A	3.083	1.00
62_V	95_I	2.941	1.00
82_G	85_E	2.613	1.00
13_V	25_A	2.467	1.00
80_I	94_V	2.460	1.00
53_Q	57_Q	2.275	1.00
73_N	107_D	2.208	1.00
52_V	82_G	2.160	1.00
53_Q	86_Y	2.148	1.00
16_V	51_I	2.000	1.00
89_A	92_T	1.914	1.00
49_D	82_G	1.907	1.00
117_F	129_F	1.862	0.99
80_I	113_V	1.845	0.99
55_A	63_L	1.828	0.99
78_K	81_E	1.774	0.99
65_I	79_I	1.706	0.99
84_A	90_E	1.664	0.99
81_E	85_E	1.604	0.98
16_V	65_I	1.579	0.98
35_A	127_I	1.560	0.98
83_L	89_A	1.530	0.98
9_V	37_F	1.512	0.97
55_A	92_T	1.510	0.97
46_K	50_E	1.436	0.97
82_G	86_Y	1.415	0.96
40_I	58_E	1.412	0.96
105_R	116_I	1.390	0.96
10_R	40_I	1.387	0.96
32_F	126_T	1.361	0.95
107_D	110_A	1.360	0.95
28_I	32_F	1.336	0.95
14_A	51_I	1.335	0.95
93_L	114_D	1.325	0.95
109_E	116_I	1.321	0.94
62_V	130_I	1.303	0.94
128_S	132_S	1.291	0.94
105_R	118_G	1.290	0.94
56_V	86_Y	1.256	0.93
107_D	111_A	1.236	0.92
124_A	128_S	1.233	0.92
94_V	113_V	1.203	0.91
52_V	86_Y	1.188	0.91
38_E	58_E	1.182	0.90
10_R	59_D	1.181	0.90
80_I	84_A	1.173	0.90
77_P	111_A	1.169	0.90
56_V	89_A	1.158	0.89
72_H	101_P	1.139	0.89
7_R	61_D	1.121	0.88
115_A	129_F	1.100	0.87
22_D	26_H	1.095	0.87
55_A	60_V	1.069	0.85
28_I	126_T	1.055	0.85
96_V	113_V	1.047	0.84
83_L	94_V	1.028	0.83
93_L	133_N	1.017	0.82
51_I	75_L	1.006	0.82
56_V	92_T	1.001	0.81
52_V	83_L	0.995	0.81
93_L	129_F	0.978	0.80
32_F	130_I	0.976	0.80
12_L	63_L	0.964	0.79
8_N	61_D	0.963	0.79
63_L	80_I	0.947	0.77
96_V	116_I	0.933	0.76
106_A	109_E	0.930	0.76
11_C	62_V	0.929	0.76
17_G	24_G	0.924	0.76
42_S	46_K	0.922	0.76
63_L	88_A	0.899	0.74
77_P	81_E	0.895	0.73
65_I	76_V	0.889	0.73
23_R	71_A	0.887	0.73
45_H	74_T	0.872	0.71
77_P	107_D	0.871	0.71
37_F	62_V	0.869	0.71
118_G	121_T	0.859	0.70
49_D	78_K	0.850	0.69
94_V	114_D	0.847	0.69
105_R	109_E	0.846	0.69
73_N	111_A	0.845	0.69
128_S	131_E	0.835	0.68
62_V	133_N	0.816	0.66
22_D	71_A	0.816	0.66
40_I	59_D	0.810	0.66
67_I	96_V	0.797	0.64
93_L	130_I	0.787	0.63
8_N	40_I	0.787	0.63
43_G	58_E	0.784	0.63
16_V	79_I	0.783	0.63
76_V	113_V	0.777	0.62
125_D	128_S	0.775	0.62
27_V	31_A	0.773	0.62
99_I	119_P	0.767	0.61
21_H	24_G	0.765	0.61
31_A	120_G	0.758	0.61
13_V	29_T	0.735	0.58
71_A	99_I	0.730	0.58
122_P	125_D	0.721	0.57
129_F	133_N	0.712	0.56
90_E	93_L	0.711	0.56
28_I	95_I	0.707	0.55
48_P	75_L	0.705	0.55
18_L	45_H	0.700	0.55
26_H	29_T	0.693	0.54
71_A	120_G	0.691	0.54
73_N	113_V	0.690	0.53
81_E	84_A	0.687	0.53
28_I	108_L	0.687	0.53
65_I	113_V	0.686	0.53
52_V	63_L	0.686	0.53
81_E	111_A	0.685	0.53
73_N	77_P	0.677	0.52
38_E	59_D	0.676	0.52
38_E	60_V	0.672	0.52
20_G	26_H	0.670	0.51
15_K	101_P	0.665	0.51
45_H	129_F	0.663	0.51
33_R	40_I	0.662	0.50
43_G	51_I	0.661	0.50
22_D	44_L	0.658	0.50
54_A	58_E	0.654	0.50
38_E	54_A	0.649	0.49
8_N	38_E	0.644	0.49
13_V	42_S	0.641	0.48
25_A	42_S	0.640	0.48
52_V	79_I	0.631	0.47
77_P	119_P	0.628	0.47
22_D	72_H	0.627	0.47
38_E	50_E	0.626	0.47
67_I	99_I	0.618	0.46
48_P	79_I	0.616	0.46
63_L	79_I	0.614	0.45
114_D	133_N	0.611	0.45
88_A	92_T	0.611	0.45
109_E	132_S	0.609	0.45
78_K	82_G	0.609	0.45
20_G	72_H	0.606	0.45
121_T	126_T	0.605	0.44
14_A	44_L	0.604	0.44
37_F	131_E	0.599	0.44
64_G	93_L	0.599	0.44
13_V	95_I	0.598	0.44
45_H	69_S	0.594	0.43
99_I	118_G	0.591	0.43
80_I	105_R	0.588	0.43
90_E	110_A	0.587	0.43
106_A	132_S	0.581	0.42
8_N	53_Q	0.580	0.42
84_A	113_V	0.579	0.42
8_N	91_D	0.578	0.42
99_I	116_I	0.574	0.41
33_R	41_Y	0.574	0.41
94_V	101_P	0.570	0.41
73_N	80_I	0.565	0.40
80_I	111_A	0.565	0.40
35_A	126_T	0.559	0.40
114_D	128_S	0.554	0.39
14_A	27_V	0.553	0.39
23_R	101_P	0.548	0.38
40_I	54_A	0.548	0.38
29_T	64_G	0.534	0.37
15_K	24_G	0.532	0.37
33_R	58_E	0.532	0.37
22_D	27_V	0.526	0.36
54_A	60_V	0.525	0.36
48_P	77_P	0.521	0.36
73_N	105_R	0.521	0.36
20_G	45_H	0.521	0.36
18_L	43_G	0.517	0.35
47_A	70_G	0.517	0.35
52_V	56_V	0.514	0.35
52_V	77_P	0.514	0.35
47_A	50_E	0.513	0.35
6_T	131_E	0.510	0.35
84_A	114_D	0.510	0.35
53_Q	107_D	0.509	0.35
41_Y	58_E	0.508	0.35
23_R	26_H	0.508	0.35
20_G	71_A	0.508	0.35
10_R	38_E	0.506	0.34
17_G	41_Y	0.501	0.34
124_A	132_S	0.501	0.34
102_D	106_A	0.501	0.34
53_Q	56_V	0.500	0.34
32_F	42_S	0.500	0.34

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
2xijA	2	0.9783	100	0.41	Contact Map
1reqA	1	0.9928	100	0.414	Contact Map
1reqB	1	0.9638	100	0.5	Contact Map
4xc8A	2	0.971	100	0.502	Contact Map
3kp1A	2	0.9855	99.9	0.513	Contact Map
1xrsB	2	0.9783	99.9	0.559	Contact Map
4r3uC	1	0.9493	99.9	0.584	Contact Map
3bulA	1	0.9638	99.9	0.584	Contact Map
3ezxA	2	0.913	99.8	0.629	Contact Map
2i2xB	1	0.9493	99.8	0.633	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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