HMOA - BACSU - GREMLIN Contacts

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HMOA - Heme-degrading monooxygenase HmoA

UniProt:	O31534	Sequences: MFVQLRKMTVKEGFADKVIERFSAEGIIEKQEGLIDVTVLEKNVRRGDEEVVVMIRWESEDHWKQWEKSDAHIAGHKANKGKPKPDYLISTEVSMYHVRAVKQGTYNQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	108 (102)
Sequences:	228 (166)
Seq/√Len:	16.4

BACSU - HMOA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
11_K	14_F	4.026	1.00
12_E	47_G	3.650	1.00
9_T	90_S	3.197	0.99
59_S	62_H	2.648	0.96
32_E	62_H	2.562	0.96
58_E	62_H	2.558	0.96
12_E	49_E	2.542	0.96
19_I	41_E	2.208	0.91
14_F	17_K	2.067	0.88
42_K	45_R	1.984	0.85
79_N	82_K	1.980	0.85
17_K	87_Y	1.930	0.84
12_E	45_R	1.898	0.82
50_E	88_L	1.714	0.75
26_G	37_V	1.647	0.72
8_M	53_V	1.519	0.66
28_I	37_V	1.506	0.65
46_R	61_D	1.482	0.64
86_D	94_S	1.461	0.63
3_V	35_I	1.445	0.62
6_R	93_V	1.430	0.61
5_L	61_D	1.357	0.57
14_F	87_Y	1.339	0.56
6_R	73_I	1.334	0.56
16_D	53_V	1.328	0.55
26_G	102_K	1.319	0.55
98_V	101_V	1.309	0.54
40_L	60_E	1.296	0.53
5_L	31_Q	1.291	0.53
59_S	70_D	1.282	0.53
29_E	34_L	1.263	0.51
30_K	59_S	1.262	0.51
55_I	63_W	1.241	0.50
70_D	101_V	1.231	0.50
28_I	55_I	1.223	0.49
49_E	95_M	1.222	0.49
7_K	92_E	1.219	0.49
29_E	51_V	1.190	0.47
43_N	97_H	1.172	0.46
60_E	64_K	1.168	0.46
34_L	37_V	1.161	0.45
20_E	24_A	1.151	0.45
7_K	28_I	1.137	0.44
27_I	46_R	1.136	0.44
31_Q	70_D	1.133	0.44
25_E	28_I	1.122	0.43
38_T	80_K	1.105	0.42
67_E	72_H	1.087	0.41
6_R	34_L	1.067	0.40
65_Q	74_A	1.023	0.38
15_A	51_V	1.018	0.37
42_K	48_D	1.012	0.37
8_M	14_F	1.010	0.37
6_R	91_T	1.009	0.37
67_E	73_I	1.001	0.36
6_R	72_H	0.992	0.36
43_N	60_E	0.988	0.36
21_R	55_I	0.973	0.35
28_I	31_Q	0.970	0.35
7_K	77_K	0.957	0.34
40_L	99_R	0.951	0.34
2_F	77_K	0.950	0.34
15_A	87_Y	0.944	0.33
68_K	101_V	0.926	0.32
89_I	97_H	0.899	0.31
72_H	75_G	0.899	0.31
2_F	14_F	0.883	0.30
41_E	99_R	0.878	0.30
5_L	53_V	0.878	0.30
73_I	86_D	0.876	0.30
69_S	76_H	0.859	0.29
19_I	45_R	0.857	0.29
34_L	42_K	0.852	0.29
21_R	81_G	0.844	0.28
43_N	48_D	0.836	0.28
8_M	91_T	0.816	0.27
19_I	36_D	0.815	0.27
51_V	96_Y	0.811	0.27
7_K	52_V	0.807	0.27
15_A	41_E	0.803	0.26
74_A	79_N	0.799	0.26
89_I	92_E	0.795	0.26
41_E	71_A	0.777	0.25
41_E	61_D	0.766	0.25
25_E	100_A	0.765	0.25
5_L	23_S	0.760	0.25
39_V	100_A	0.758	0.24
60_E	97_H	0.736	0.23
78_A	81_G	0.730	0.23
48_D	88_L	0.717	0.23
45_R	89_I	0.717	0.23
4_Q	93_V	0.714	0.23
16_D	78_A	0.708	0.22
2_F	95_M	0.707	0.22
12_E	48_D	0.706	0.22
58_E	65_Q	0.703	0.22
26_G	29_E	0.702	0.22
47_G	81_G	0.689	0.22
2_F	29_E	0.679	0.21
55_I	75_G	0.676	0.21
2_F	9_T	0.676	0.21
9_T	99_R	0.675	0.21
47_G	78_A	0.674	0.21
18_V	86_D	0.673	0.21
55_I	67_E	0.672	0.21
11_K	86_D	0.669	0.21
40_L	53_V	0.661	0.20
86_D	91_T	0.658	0.20
16_D	90_S	0.657	0.20
40_L	98_V	0.632	0.19
6_R	68_K	0.628	0.19
60_E	95_M	0.621	0.19
58_E	89_I	0.619	0.19
30_K	45_R	0.613	0.19
28_I	60_E	0.610	0.19
49_E	63_W	0.601	0.18
42_K	50_E	0.600	0.18
5_L	38_T	0.582	0.18
6_R	63_W	0.580	0.18
5_L	37_V	0.579	0.17
80_K	83_P	0.578	0.17
63_W	75_G	0.577	0.17
19_I	95_M	0.576	0.17
17_K	20_E	0.575	0.17
24_A	70_D	0.570	0.17
46_R	79_N	0.565	0.17
35_I	56_R	0.565	0.17
70_D	73_I	0.559	0.17
6_R	55_I	0.557	0.17
1_M	23_S	0.554	0.17
32_E	99_R	0.546	0.16
18_V	100_A	0.545	0.16
19_I	80_K	0.545	0.16
15_A	83_P	0.542	0.16
49_E	60_E	0.540	0.16
68_K	75_G	0.540	0.16
55_I	72_H	0.536	0.16
3_V	84_K	0.535	0.16
39_V	87_Y	0.532	0.16
59_S	81_G	0.531	0.16
9_T	49_E	0.530	0.16
53_V	93_V	0.529	0.16
46_R	92_E	0.528	0.16
49_E	89_I	0.524	0.16
27_I	74_A	0.522	0.16
38_T	93_V	0.521	0.16
4_Q	72_H	0.521	0.16
25_E	102_K	0.515	0.15
92_E	98_V	0.511	0.15
52_V	96_Y	0.508	0.15
39_V	91_T	0.503	0.15
54_M	60_E	0.500	0.15
73_I	77_K	0.500	0.15

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
1tz0A	3	0.9907	99.6	0.616	Contact Map
4kiaA	1	0.7593	99.5	0.637	Contact Map
2zdoA	2	0.963	99.5	0.648	Contact Map
1sqeA	2	0.9444	99.5	0.651	Contact Map
4ae5A	1	0.8704	99.3	0.678	Contact Map
3fj2A	1	0.787	99.3	0.678	Contact Map
2go8A	2	0.7222	99.3	0.682	Contact Map
4fvcA	1	0.8148	99.2	0.692	Contact Map
3hx9A	2	0.9259	99.1	0.709	Contact Map
1iujA	4	0.9259	98.9	0.73	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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