Y2140 - SULSO - GREMLIN Contacts

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Y2140 - Putative esterase SSO2140

UniProt:	P95914	Sequences: MEDPIKAIEEIFKKADQIFKFLDVKVINLEKGRAVVEIPYKEEFTRRGGVLHGGIIMSAIDITGGLAALTVNDAMDQVTQELKINFLEPMYKGPFTIEGKVLRKGSTVIVVEIEFKDADGKLGAKAIGSWYILRTKVQAK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	140 (120)
Sequences:	6241 (4290)
Seq/√Len:	391.6

ECOLI - MENI PAAI ENTH YIGI
BACSU - COMA2
HALSA - Y1336
SULSO - Y2140 Q97UX9 Y1253 Q97VK2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
37_E	94_P	3.409	1.00
27_I	37_E	3.031	1.00
80_Q	108_V	2.618	1.00
35_V	98_E	2.476	1.00
98_E	116_K	2.303	1.00
28_N	35_V	2.274	1.00
25_K	37_E	2.247	1.00
28_N	33_R	2.228	1.00
36_V	63_T	2.165	1.00
57_M	82_L	2.028	1.00
30_E	33_R	2.010	1.00
64_G	113_I	1.936	1.00
114_E	122_L	1.928	1.00
63_T	97_I	1.853	1.00
38_I	55_I	1.814	1.00
88_E	121_K	1.805	1.00
33_R	98_E	1.782	1.00
68_A	109_I	1.746	1.00
37_E	96_T	1.746	1.00
33_R	100_K	1.745	1.00
35_V	96_T	1.729	1.00
112_E	125_K	1.663	1.00
60_I	126_A	1.633	1.00
102_L	112_E	1.619	1.00
100_K	112_E	1.606	1.00
39_P	94_P	1.587	1.00
101_V	104_K	1.578	1.00
117_D	121_K	1.558	1.00
100_K	114_E	1.542	1.00
60_I	113_I	1.512	1.00
57_M	84_I	1.450	1.00
64_G	128_G	1.433	1.00
27_I	35_V	1.426	1.00
18_I	55_I	1.423	1.00
93_G	118_A	1.403	1.00
81_E	85_N	1.397	1.00
90_M	123_G	1.366	1.00
21_F	43_E	1.341	1.00
102_L	125_K	1.314	1.00
114_E	125_K	1.302	1.00
57_M	86_F	1.267	1.00
18_I	58_S	1.260	1.00
32_G	70_T	1.246	1.00
68_A	130_W	1.206	1.00
93_G	117_D	1.189	1.00
60_I	115_F	1.170	1.00
116_K	120_G	1.161	1.00
56_I	124_A	1.155	1.00
40_Y	51_L	1.153	1.00
42_E	45_T	1.151	1.00
103_R	108_V	1.150	1.00
84_I	124_A	1.147	1.00
41_K	44_F	1.143	1.00
90_M	95_F	1.137	1.00
71_V	104_K	1.133	1.00
51_L	95_F	1.121	1.00
97_I	113_I	1.119	1.00
109_I	132_I	1.101	1.00
112_E	127_I	1.098	1.00
87_L	125_K	1.087	1.00
116_K	122_L	1.025	1.00
59_A	97_I	1.023	1.00
108_V	131_Y	0.990	1.00
56_I	115_F	0.986	1.00
68_A	111_V	0.973	1.00
25_K	94_P	0.965	1.00
24_V	36_V	0.963	1.00
50_V	78_V	0.961	1.00
56_I	123_G	0.955	1.00
85_N	129_S	0.955	1.00
38_I	59_A	0.945	1.00
61_D	79_T	0.933	1.00
107_T	131_Y	0.929	1.00
83_K	127_I	0.923	1.00
94_P	118_A	0.917	1.00
71_V	101_V	0.915	1.00
72_N	75_M	0.896	1.00
98_E	114_E	0.890	1.00
67_A	111_V	0.879	1.00
103_R	110_V	0.874	1.00
54_G	58_S	0.868	1.00
81_E	127_I	0.853	1.00
78_V	133_L	0.837	1.00
67_A	101_V	0.822	1.00
19_F	62_I	0.816	1.00
64_G	130_W	0.811	1.00
110_V	129_S	0.809	1.00
25_K	39_P	0.809	1.00
51_L	90_M	0.809	1.00
67_A	99_G	0.802	1.00
96_T	116_K	0.802	1.00
29_L	70_T	0.793	1.00
87_L	103_R	0.792	1.00
50_V	89_P	0.785	1.00
44_F	55_I	0.783	1.00
85_N	110_V	0.777	1.00
82_L	86_F	0.774	1.00
87_L	122_L	0.772	1.00
88_E	103_R	0.771	1.00
39_P	44_F	0.770	1.00
101_V	111_V	0.768	1.00
69_L	77_Q	0.739	1.00
97_I	115_F	0.739	1.00
56_I	86_F	0.735	1.00
47_R	65_G	0.724	1.00
22_L	58_S	0.723	1.00
15_A	20_K	0.723	1.00
61_D	65_G	0.717	1.00
81_E	129_S	0.714	1.00
69_L	76_D	0.713	1.00
87_L	110_V	0.710	1.00
95_F	115_F	0.704	1.00
53_G	86_F	0.702	1.00
26_V	36_V	0.698	1.00
17_Q	20_K	0.692	1.00
27_I	94_P	0.692	1.00
52_H	62_I	0.689	0.99
82_L	126_A	0.687	0.99
31_K	71_V	0.686	0.99
45_T	92_K	0.684	0.99
64_G	126_A	0.676	0.99
96_T	120_G	0.675	0.99
95_F	123_G	0.674	0.99
113_I	128_G	0.671	0.99
40_Y	45_T	0.670	0.99
40_Y	44_F	0.667	0.99
62_I	66_L	0.651	0.99
96_T	118_A	0.649	0.99
14_K	20_K	0.647	0.99
65_G	130_W	0.646	0.99
60_I	84_I	0.644	0.99
32_G	101_V	0.643	0.99
122_L	125_K	0.634	0.99
79_T	82_L	0.633	0.99
19_F	66_L	0.630	0.99
75_M	132_I	0.628	0.99
96_T	117_D	0.628	0.99
64_G	111_V	0.621	0.99
24_V	38_I	0.617	0.99
23_D	43_E	0.616	0.99
99_G	113_I	0.608	0.99
79_T	130_W	0.601	0.99
98_E	120_G	0.596	0.99
57_M	126_A	0.595	0.98
77_Q	132_I	0.583	0.98
79_T	128_G	0.575	0.98
63_T	99_G	0.568	0.98
88_E	131_Y	0.566	0.98
110_V	125_K	0.563	0.98
104_K	109_I	0.563	0.98
34_A	67_A	0.561	0.98
32_G	71_V	0.553	0.98
24_V	58_S	0.552	0.98
56_I	90_M	0.551	0.98
76_D	133_L	0.550	0.98
56_I	61_D	0.550	0.98
99_G	111_V	0.547	0.97
23_D	41_K	0.542	0.97
80_Q	131_Y	0.541	0.97
50_V	91_Y	0.538	0.97
17_Q	21_F	0.531	0.97
27_I	36_V	0.531	0.97
16_D	47_R	0.528	0.97
21_F	55_I	0.527	0.97
77_Q	130_W	0.527	0.97
85_N	127_I	0.526	0.97
26_V	66_L	0.526	0.97
51_L	56_I	0.526	0.97
104_K	132_I	0.524	0.97
113_I	126_A	0.521	0.97
109_I	130_W	0.520	0.97
18_I	21_F	0.516	0.96
20_K	43_E	0.515	0.96
17_Q	42_E	0.515	0.96
46_R	50_V	0.511	0.96
48_G	78_V	0.508	0.96
32_G	67_A	0.507	0.96
110_V	127_I	0.505	0.96
78_V	131_Y	0.501	0.96
84_I	126_A	0.500	0.96

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
1t82A	2	0.95	99.9	0.273	Contact Map
3e8pA	3	0.95	99.9	0.278	Contact Map
3hduA	4	0.95	99.9	0.289	Contact Map
1sh8A	2	0.9857	99.9	0.291	Contact Map
4rmmA	2	0.9143	99.9	0.296	Contact Map
3f1tA	2	0.9286	99.9	0.303	Contact Map
3e29A	3	0.9429	99.9	0.304	Contact Map
3lmbA	2	0.95	99.9	0.304	Contact Map
1yocA	4	0.9571	99.9	0.309	Contact Map
3e1eA	3	0.9571	99.9	0.316	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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