MOAD - BACSU - GREMLIN Contacts

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MOAD - Molybdopterin synthase sulfur carrier subunit

UniProt:	O31706	Sequences: MIKILLFAGLAEQAGTQAIEIDMEQATTDEIKASLKEQYGLESIDTAMIAVNESYVKENTSVSSGDTVAIIPPVSGG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	77 (77)
Sequences:	161 (116)
Seq/√Len:	13.2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
51_V	60_T	3.504	0.99
11_A	55_Y	3.098	0.97
42_E	51_V	2.990	0.97
3_K	18_A	2.920	0.96
36_K	45_D	2.144	0.83
31_I	62_V	2.051	0.80
6_L	32_K	1.951	0.76
55_Y	60_T	1.851	0.72
12_E	58_E	1.766	0.69
6_L	58_E	1.747	0.68
31_I	58_E	1.693	0.65
19_I	35_L	1.672	0.64
40_G	67_T	1.631	0.62
5_L	48_M	1.578	0.60
6_L	70_I	1.564	0.59
6_L	19_I	1.557	0.59
49_I	70_I	1.455	0.53
10_L	53_E	1.350	0.48
54_S	68_V	1.329	0.47
24_E	70_I	1.316	0.46
4_I	28_T	1.314	0.46
20_E	28_T	1.311	0.46
1_M	8_A	1.284	0.44
12_E	56_V	1.262	0.43
14_A	47_A	1.250	0.43
2_I	68_V	1.215	0.41
6_L	48_M	1.174	0.39
27_T	56_V	1.168	0.38
19_I	32_K	1.142	0.37
41_L	45_D	1.142	0.37
4_I	63_S	1.132	0.37
47_A	70_I	1.123	0.36
31_I	36_K	1.112	0.36
16_T	22_D	1.103	0.35
25_Q	64_S	1.088	0.35
34_S	59_N	1.077	0.34
27_T	50_A	1.055	0.33
19_I	39_Y	1.049	0.33
32_K	48_M	1.035	0.32
50_A	69_A	0.992	0.30
25_Q	62_V	0.962	0.29
16_T	38_Q	0.960	0.29
44_I	68_V	0.935	0.28
20_E	56_V	0.926	0.27
6_L	41_L	0.926	0.27
14_A	36_K	0.923	0.27
2_I	62_V	0.911	0.27
37_E	47_A	0.909	0.27
12_E	18_A	0.902	0.26
28_T	64_S	0.886	0.26
4_I	70_I	0.871	0.25
37_E	45_D	0.868	0.25
1_M	6_L	0.867	0.25
6_L	35_L	0.866	0.25
23_M	60_T	0.851	0.24
8_A	62_V	0.846	0.24
5_L	67_T	0.824	0.23
27_T	36_K	0.815	0.23
4_I	41_L	0.798	0.22
27_T	61_S	0.792	0.22
9_G	40_G	0.791	0.22
27_T	71_I	0.789	0.22
21_I	63_S	0.785	0.22
30_E	57_K	0.778	0.22
41_L	44_I	0.777	0.22
45_D	61_S	0.775	0.21
56_V	61_S	0.772	0.21
42_E	45_D	0.757	0.21
3_K	60_T	0.753	0.21
12_E	38_Q	0.750	0.21
11_A	60_T	0.749	0.21
21_I	25_Q	0.727	0.20
54_S	59_N	0.726	0.20
26_A	55_Y	0.720	0.20
41_L	57_K	0.717	0.19
2_I	58_E	0.707	0.19
9_G	55_Y	0.696	0.19
37_E	57_K	0.693	0.19
37_E	46_T	0.692	0.19
10_L	30_E	0.685	0.18
14_A	24_E	0.682	0.18
28_T	31_I	0.681	0.18
37_E	62_V	0.677	0.18
39_Y	42_E	0.667	0.18
8_A	69_A	0.647	0.17
13_Q	68_V	0.647	0.17
36_K	67_T	0.643	0.17
3_K	22_D	0.638	0.17
28_T	61_S	0.637	0.17
3_K	35_L	0.636	0.17
17_Q	37_E	0.636	0.17
28_T	34_S	0.632	0.17
14_A	57_K	0.631	0.17
32_K	70_I	0.631	0.17
38_Q	49_I	0.619	0.16
4_I	17_Q	0.618	0.16
19_I	48_M	0.602	0.16
15_G	70_I	0.599	0.16
1_M	70_I	0.595	0.16
30_E	38_Q	0.589	0.16
15_G	27_T	0.589	0.16
13_Q	17_Q	0.569	0.15
62_V	70_I	0.552	0.15
19_I	40_G	0.552	0.15
4_I	35_L	0.551	0.15
6_L	49_I	0.551	0.15
13_Q	62_V	0.549	0.14
2_I	23_M	0.545	0.14
9_G	65_G	0.543	0.14
17_Q	70_I	0.540	0.14
1_M	32_K	0.524	0.14
16_T	55_Y	0.520	0.14
8_A	70_I	0.518	0.14
2_I	6_L	0.513	0.14
19_I	57_K	0.508	0.13
36_K	44_I	0.500	0.13

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
2k9xA	1	0.987	99.7	0.468	Contact Map
1fm0D	1	1	99.7	0.47	Contact Map
2qjlA	1	1	99.7	0.471	Contact Map
1vjkA	1	0.961	99.7	0.473	Contact Map
1wgkA	1	1	99.7	0.475	Contact Map
1v8cA	3	0.961	99.7	0.496	Contact Map
2q5wD	1	0.987	99.7	0.496	Contact Map
4hroA	1	0.974	99.7	0.498	Contact Map
2g1eA	1	0.987	99.7	0.498	Contact Map
2m19A	1	1	99.7	0.503	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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