YCNE - BACSU - GREMLIN Contacts

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YCNE - Putative monooxygenase YcnE

UniProt:	P94425	Sequences: MIVLQAYIKVKPEKREEFLSEAQSLVQHSRAEEGNAQYDLFEKVGEENTFVMLEKWKDEAAMKFHNETAHFQGFVAKGKELLSAPLDVVRTELSE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	95 (86)
Sequences:	1306 (941)
Seq/√Len:	101.5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
59_E	63_K	3.211	1.00
4_L	62_M	2.592	1.00
15_R	48_N	2.465	1.00
34_G	61_A	2.342	1.00
69_A	73_G	2.253	1.00
14_K	17_E	2.196	1.00
58_D	61_A	2.183	1.00
7_Y	49_T	2.128	1.00
10_V	18_F	1.953	1.00
11_K	83_S	1.939	1.00
15_R	42_E	1.877	1.00
67_E	72_Q	1.850	1.00
9_K	84_A	1.822	1.00
19_L	42_E	1.745	1.00
19_L	23_Q	1.735	1.00
25_L	74_F	1.559	1.00
28_H	31_A	1.538	1.00
24_S	73_G	1.501	1.00
62_M	66_N	1.444	1.00
60_A	63_K	1.398	1.00
35_N	56_W	1.390	1.00
74_F	78_G	1.380	1.00
37_Q	55_K	1.377	0.99
33_E	57_K	1.365	0.99
73_G	77_K	1.342	0.99
18_F	22_A	1.338	0.99
60_A	64_F	1.287	0.99
9_K	49_T	1.274	0.99
29_S	71_F	1.248	0.99
21_E	24_S	1.184	0.98
8_I	74_F	1.152	0.98
14_K	81_L	1.134	0.98
5_Q	51_V	1.128	0.98
63_K	66_N	1.106	0.98
68_T	71_F	1.095	0.97
56_W	62_M	1.089	0.97
24_S	28_H	1.088	0.97
3_V	53_L	1.079	0.97
9_K	46_E	1.064	0.97
43_K	49_T	1.052	0.97
46_E	49_T	1.031	0.96
3_V	55_K	1.020	0.96
16_E	20_S	1.019	0.96
8_I	18_F	1.014	0.96
36_A	57_K	1.005	0.96
6_A	38_Y	0.981	0.95
29_S	66_N	0.969	0.95
22_A	40_L	0.969	0.95
33_E	64_F	0.968	0.95
7_Y	87_D	0.958	0.94
10_V	28_H	0.955	0.94
10_V	22_A	0.939	0.94
32_E	65_H	0.928	0.93
84_A	87_D	0.925	0.93
15_R	19_L	0.906	0.93
41_F	51_V	0.896	0.92
37_Q	53_L	0.889	0.92
42_E	50_F	0.888	0.92
11_K	14_K	0.886	0.92
76_A	79_K	0.882	0.92
40_L	50_F	0.869	0.91
25_L	38_Y	0.855	0.90
66_N	74_F	0.854	0.90
23_Q	27_Q	0.849	0.90
40_L	52_M	0.847	0.90
57_K	61_A	0.847	0.90
72_Q	76_A	0.841	0.90
21_E	52_M	0.832	0.89
33_E	61_A	0.829	0.89
77_K	80_E	0.812	0.88
32_E	61_A	0.805	0.88
63_K	67_E	0.805	0.88
71_F	75_V	0.788	0.86
21_E	81_L	0.787	0.86
26_V	30_R	0.787	0.86
21_E	77_K	0.770	0.85
30_R	35_N	0.765	0.85
6_A	52_M	0.758	0.84
18_F	40_L	0.754	0.84
77_K	81_L	0.747	0.83
18_F	81_L	0.740	0.83
13_E	83_S	0.739	0.83
10_V	50_F	0.730	0.82
78_G	82_L	0.717	0.81
6_A	25_L	0.710	0.80
12_P	20_S	0.702	0.79
4_L	66_N	0.696	0.79
42_E	47_E	0.696	0.79
66_N	71_F	0.696	0.79
56_W	66_N	0.694	0.79
5_Q	53_L	0.682	0.77
30_R	56_W	0.676	0.77
29_S	40_L	0.656	0.75
8_I	82_L	0.653	0.74
41_F	53_L	0.649	0.74
17_E	81_L	0.644	0.73
18_F	78_G	0.644	0.73
29_S	70_H	0.643	0.73
44_V	57_K	0.634	0.72
11_K	80_E	0.630	0.72
29_S	32_E	0.627	0.71
25_L	53_L	0.620	0.70
42_E	46_E	0.617	0.70
42_E	48_N	0.614	0.70
43_K	46_E	0.612	0.69
15_R	50_F	0.608	0.69
28_H	70_H	0.608	0.69
32_E	70_H	0.601	0.68
25_L	71_F	0.592	0.67
29_S	56_W	0.587	0.66
8_I	79_K	0.583	0.66
74_F	82_L	0.575	0.65
38_Y	62_M	0.572	0.64
30_R	39_D	0.556	0.62
82_L	85_P	0.555	0.62
16_E	23_Q	0.550	0.61
19_L	50_F	0.547	0.61
17_E	21_E	0.544	0.60
38_Y	71_F	0.540	0.60
35_N	38_Y	0.536	0.59
74_F	86_L	0.531	0.59
30_R	38_Y	0.518	0.57
6_A	71_F	0.512	0.56
8_I	88_V	0.512	0.56
58_D	88_V	0.509	0.55
18_F	28_H	0.505	0.55
36_A	39_D	0.504	0.55
47_E	64_F	0.502	0.54
75_V	86_L	0.500	0.54

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
2omoA	2	1	99.9	0.263	Contact Map
3mcsA	1	1	99.9	0.267	Contact Map
2gffA	2	1	99.9	0.274	Contact Map
3e8oA	2	1	99.9	0.28	Contact Map
1tuvA	2	0.9789	99.8	0.282	Contact Map
2pd1A	5	0.9789	99.8	0.29	Contact Map
3bm7A	2	1	99.8	0.291	Contact Map
3gz7A	2	1	99.8	0.295	Contact Map
2fb0A	2	0.9579	99.8	0.301	Contact Map
3f44A	1	1	99.8	0.301	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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