HMOB - BACSU - GREMLIN Contacts

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HMOB - Heme-degrading monooxygenase HmoB

UniProt:	P38049	Sequences: MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	166 (160)
Sequences:	174 (134)
Seq/√Len:	10.6

BACSU - HMOB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
134_Y	141_R	2.967	0.93
85_R	125_F	2.818	0.91
23_E	38_H	2.815	0.91
40_T	44_T	2.750	0.90
134_Y	143_T	2.663	0.89
121_T	124_A	2.393	0.83
115_I	129_Q	2.091	0.73
54_V	57_Q	2.084	0.73
66_F	114_V	2.030	0.71
134_Y	146_G	1.995	0.69
59_G	104_V	1.986	0.69
12_F	48_A	1.914	0.66
38_H	49_P	1.874	0.64
15_T	20_H	1.837	0.63
143_T	146_G	1.824	0.62
70_N	89_R	1.823	0.62
36_L	40_T	1.769	0.60
86_F	89_R	1.763	0.59
6_T	46_F	1.758	0.59
36_L	46_F	1.749	0.59
73_A	112_T	1.745	0.59
134_Y	148_D	1.738	0.58
22_S	60_E	1.699	0.56
28_M	37_I	1.678	0.55
122_E	161_T	1.647	0.54
56_D	79_R	1.624	0.53
83_E	107_P	1.619	0.53
86_F	125_F	1.611	0.52
70_N	138_H	1.605	0.52
75_T	78_G	1.604	0.52
115_I	148_D	1.603	0.52
6_T	9_T	1.598	0.52
11_D	34_A	1.597	0.52
131_S	138_H	1.559	0.50
119_W	128_W	1.557	0.50
7_Y	50_H	1.552	0.50
9_T	13_L	1.545	0.49
23_E	36_L	1.523	0.48
89_R	138_H	1.522	0.48
40_T	158_Y	1.512	0.48
143_T	148_D	1.506	0.47
59_G	111_D	1.502	0.47
10_A	61_I	1.461	0.45
102_I	129_Q	1.460	0.45
111_D	155_R	1.453	0.45
129_Q	148_D	1.445	0.45
134_Y	142_D	1.425	0.44
9_T	46_F	1.422	0.43
9_T	12_F	1.408	0.43
103_R	107_P	1.392	0.42
27_L	95_N	1.382	0.42
83_E	103_R	1.360	0.41
69_L	116_L	1.349	0.40
10_A	14_K	1.347	0.40
136_E	139_K	1.341	0.40
55_I	58_V	1.339	0.40
69_L	109_D	1.320	0.39
100_E	118_L	1.315	0.39
13_L	32_E	1.285	0.37
129_Q	134_Y	1.240	0.35
47_Q	115_I	1.231	0.35
4_Y	57_Q	1.211	0.34
8_G	46_F	1.193	0.33
103_R	113_Y	1.186	0.33
53_E	158_Y	1.175	0.33
6_T	13_L	1.168	0.32
142_D	148_D	1.166	0.32
85_R	89_R	1.149	0.31
3_V	125_F	1.120	0.30
66_F	135_K	1.116	0.30
134_Y	147_I	1.102	0.30
25_I	45_V	1.086	0.29
105_L	113_Y	1.064	0.28
87_K	91_G	1.063	0.28
5_I	136_E	1.060	0.28
97_P	125_F	1.055	0.28
38_H	158_Y	1.045	0.27
140_K	157_S	1.037	0.27
126_Q	156_P	1.029	0.27
86_F	138_H	1.020	0.26
70_N	74_V	1.003	0.26
98_G	131_S	0.998	0.26
129_Q	141_R	0.990	0.25
83_E	105_L	0.990	0.25
13_L	67_A	0.989	0.25
32_E	158_Y	0.989	0.25
23_E	42_G	0.986	0.25
70_N	86_F	0.981	0.25
134_Y	159_V	0.978	0.25
40_T	45_V	0.970	0.25
21_P	61_I	0.968	0.25
85_R	91_G	0.965	0.24
132_G	135_K	0.964	0.24
141_R	146_G	0.963	0.24
49_P	158_Y	0.957	0.24
120_E	124_A	0.954	0.24
13_L	48_A	0.953	0.24
50_H	110_S	0.950	0.24
75_T	133_S	0.948	0.24
60_E	95_N	0.948	0.24
90_A	137_A	0.945	0.24
7_Y	69_L	0.941	0.24
38_H	44_T	0.940	0.24
54_V	76_Q	0.931	0.23
9_T	49_P	0.930	0.23
107_P	112_T	0.930	0.23
70_N	137_A	0.926	0.23
73_A	83_E	0.924	0.23
85_R	97_P	0.924	0.23
27_L	48_A	0.921	0.23
83_E	113_Y	0.919	0.23
43_D	49_P	0.918	0.23
83_E	99_F	0.907	0.23
26_L	118_L	0.895	0.22
30_G	47_Q	0.885	0.22
55_I	87_K	0.874	0.21
14_K	28_M	0.868	0.21
86_F	117_T	0.865	0.21
52_Y	150_T	0.856	0.21
39_E	103_R	0.854	0.21
9_T	80_P	0.846	0.21
16_I	61_I	0.845	0.21
25_I	35_I	0.840	0.20
12_F	19_K	0.836	0.20
89_R	128_W	0.836	0.20
12_F	24_N	0.836	0.20
122_E	158_Y	0.833	0.20
117_T	138_H	0.826	0.20
24_N	31_Q	0.818	0.20
55_I	143_T	0.814	0.20
26_L	34_A	0.804	0.19
67_A	118_L	0.798	0.19
73_A	76_Q	0.797	0.19
107_P	113_Y	0.796	0.19
31_Q	43_D	0.796	0.19
16_I	123_S	0.795	0.19
93_V	125_F	0.793	0.19
79_R	112_T	0.760	0.18
8_G	13_L	0.752	0.18
3_V	61_I	0.744	0.18
32_E	71_N	0.742	0.18
11_D	21_P	0.733	0.17
72_I	91_G	0.729	0.17
68_V	138_H	0.728	0.17
18_Q	66_F	0.723	0.17
68_V	86_F	0.723	0.17
35_I	97_P	0.721	0.17
38_H	51_A	0.716	0.17
12_F	43_D	0.715	0.17
15_T	18_Q	0.711	0.17
66_F	83_E	0.710	0.17
10_A	29_Q	0.708	0.17
74_V	78_G	0.708	0.17
86_F	99_F	0.706	0.17
4_Y	49_P	0.706	0.17
85_R	132_G	0.699	0.16
41_N	60_E	0.697	0.16
34_A	126_Q	0.696	0.16
33_N	158_Y	0.695	0.16
25_I	41_N	0.693	0.16
3_V	157_S	0.688	0.16
58_V	94_E	0.686	0.16
36_L	42_G	0.683	0.16
73_A	107_P	0.682	0.16
90_A	106_R	0.681	0.16
57_Q	116_L	0.670	0.16
42_G	84_N	0.667	0.16
82_F	119_W	0.661	0.15
34_A	39_E	0.659	0.15
71_N	112_T	0.658	0.15
68_V	89_R	0.656	0.15
12_F	22_S	0.655	0.15
61_I	116_L	0.655	0.15
24_N	66_F	0.654	0.15
16_I	161_T	0.644	0.15
72_I	85_R	0.644	0.15
15_T	19_K	0.640	0.15
90_A	102_I	0.638	0.15
9_T	20_H	0.636	0.15
90_A	104_V	0.633	0.15
15_T	28_M	0.627	0.15
40_T	49_P	0.626	0.15
104_V	148_D	0.626	0.15
77_E	81_L	0.625	0.15
13_L	46_F	0.624	0.15
53_E	121_T	0.622	0.14
7_Y	35_I	0.618	0.14
5_I	109_D	0.618	0.14
67_A	100_E	0.618	0.14
78_G	112_T	0.617	0.14
77_E	80_P	0.615	0.14
104_V	115_I	0.613	0.14
74_V	82_F	0.613	0.14
92_K	116_L	0.609	0.14
155_R	161_T	0.605	0.14
19_K	43_D	0.602	0.14
34_A	74_V	0.585	0.14
76_Q	80_P	0.584	0.14
56_D	85_R	0.582	0.14
61_I	67_A	0.579	0.14
6_T	80_P	0.577	0.13
48_A	81_L	0.575	0.13
101_A	125_F	0.573	0.13
128_W	138_H	0.569	0.13
18_Q	21_P	0.563	0.13
12_F	130_Q	0.563	0.13
91_G	104_V	0.563	0.13
44_T	49_P	0.562	0.13
27_L	62_K	0.556	0.13
67_A	129_Q	0.555	0.13
4_Y	69_L	0.553	0.13
17_V	24_N	0.551	0.13
25_I	38_H	0.551	0.13
101_A	114_V	0.551	0.13
14_K	21_P	0.548	0.13
74_V	80_P	0.547	0.13
59_G	77_E	0.547	0.13
116_L	159_V	0.547	0.13
2_K	152_I	0.545	0.13
43_D	109_D	0.545	0.13
38_H	46_F	0.542	0.13
89_R	115_I	0.541	0.13
74_V	103_R	0.534	0.13
70_N	85_R	0.532	0.13
38_H	80_P	0.531	0.12
60_E	121_T	0.531	0.12
48_A	122_E	0.519	0.12
23_E	54_V	0.519	0.12
2_K	44_T	0.516	0.12
3_V	33_N	0.516	0.12
28_M	121_T	0.515	0.12
108_L	150_T	0.515	0.12
15_T	101_A	0.514	0.12
22_S	132_G	0.514	0.12
75_T	90_A	0.513	0.12
14_K	29_Q	0.506	0.12
61_I	106_R	0.505	0.12
68_V	72_I	0.503	0.12
36_L	49_P	0.502	0.12
140_K	148_D	0.500	0.12

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
4kiaA	1	0.9036	100	0.389	Contact Map
3fj2A	1	0.9578	100	0.458	Contact Map
4fvcA	1	0.9337	100	0.465	Contact Map
4ae5A	1	0.9699	100	0.469	Contact Map
1tz0A	3	0.5964	99	0.815	Contact Map
3hx9A	2	0.5663	99	0.817	Contact Map
1sqeA	2	0.5904	99	0.819	Contact Map
2zdoA	2	0.6145	99	0.819	Contact Map
2go8A	2	0.494	98.9	0.822	Contact Map
1iujA	4	0.5904	98.9	0.827	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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