COMA2 - BACSU - GREMLIN Contacts

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COMA2 - Putative esterase ComA2

UniProt:	P14205	Sequences: MDMKHTLLEALGIEIVENTAERCVAVMPVDHRTVQPFGYLHGGASVALAETAASAGAQNLIDHTTQACVGLEINANHLKSVKEGTVKAIAEPVHIGRTTIVYHIHIYDEQERLICISRCTLAVIKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	126 (118)
Sequences:	1912 (1189)
Seq/√Len:	109.4

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
26_V	85_T	3.166	1.00
25_A	52_A	2.674	1.00
52_A	88_A	2.661	1.00
14_E	26_V	2.576	1.00
108_D	112_R	2.477	1.00
79_K	112_R	2.398	1.00
71_L	99_T	2.294	1.00
17_E	24_V	2.288	1.00
53_A	119_C	2.282	1.00
49_A	117_S	2.277	1.00
17_E	22_R	2.155	1.00
19_T	22_R	2.090	1.00
89_I	107_Y	2.089	1.00
94_H	99_T	1.938	1.00
57_A	100_I	1.924	1.00
57_A	121_L	1.876	1.00
7_L	47_A	1.865	1.00
46_V	73_I	1.857	1.00
75_A	115_C	1.842	1.00
92_P	95_I	1.781	1.00
26_V	87_K	1.770	1.00
105_H	113_L	1.720	1.00
45_S	114_I	1.599	1.00
16_V	26_V	1.595	1.00
46_V	75_A	1.582	1.00
22_R	91_E	1.573	1.00
7_L	44_A	1.519	1.00
22_R	89_I	1.488	1.00
56_G	102_Y	1.462	1.00
27_M	44_A	1.432	1.00
24_V	89_I	1.420	1.00
13_I	25_A	1.392	1.00
105_H	116_I	1.381	1.00
45_S	106_I	1.373	1.00
15_I	25_A	1.330	1.00
53_A	104_I	1.311	0.99
37_F	58_Q	1.306	0.99
39_Y	80_S	1.279	0.99
31_H	34_V	1.266	0.99
39_Y	69_V	1.249	0.99
24_V	87_K	1.157	0.99
50_E	70_G	1.154	0.99
68_C	123_V	1.152	0.99
40_L	45_S	1.144	0.99
8_L	51_T	1.134	0.98
81_V	114_I	1.095	0.98
72_E	76_N	1.078	0.98
107_Y	111_E	1.070	0.98
56_G	90_A	1.056	0.97
16_V	24_V	1.051	0.97
75_A	117_S	1.049	0.97
30_D	33_T	1.040	0.97
104_I	119_C	1.025	0.97
78_L	113_L	1.003	0.97
15_I	55_A	1.002	0.97
78_L	101_V	0.995	0.96
69_V	124_I	0.992	0.96
100_I	123_V	0.983	0.96
74_N	118_R	0.972	0.96
76_N	101_V	0.969	0.96
72_E	118_R	0.968	0.96
61_I	68_C	0.965	0.96
103_H	116_I	0.956	0.95
87_K	107_Y	0.946	0.95
12_G	32_R	0.941	0.95
34_V	83_E	0.937	0.95
48_L	88_A	0.934	0.95
45_S	115_C	0.934	0.95
67_A	124_I	0.931	0.95
87_K	109_E	0.921	0.94
11_L	47_A	0.919	0.94
81_V	108_D	0.904	0.94
21_E	92_P	0.902	0.94
93_V	116_I	0.901	0.94
98_T	122_A	0.893	0.94
88_A	104_I	0.889	0.93
58_Q	68_C	0.888	0.93
13_I	47_A	0.887	0.93
100_I	121_L	0.878	0.93
18_N	59_N	0.864	0.92
46_V	117_S	0.859	0.92
50_E	54_S	0.855	0.92
78_L	94_H	0.851	0.92
23_C	59_N	0.848	0.92
8_L	15_I	0.839	0.91
91_E	103_H	0.830	0.91
35_Q	54_S	0.828	0.91
10_A	32_R	0.827	0.91
63_H	66_Q	0.821	0.90
54_S	70_G	0.812	0.90
60_L	95_I	0.807	0.90
57_A	68_C	0.801	0.89
29_V	40_L	0.799	0.89
73_I	117_S	0.799	0.89
6_T	9_E	0.790	0.89
39_Y	82_K	0.789	0.88
79_K	108_D	0.785	0.88
25_A	88_A	0.775	0.88
15_I	18_N	0.768	0.87
18_N	55_A	0.764	0.87
58_Q	67_A	0.763	0.87
71_L	76_N	0.759	0.86
49_A	104_I	0.752	0.86
13_I	27_M	0.752	0.86
21_E	95_I	0.749	0.86
71_L	122_A	0.739	0.85
23_C	56_G	0.736	0.85
7_L	10_A	0.735	0.85
6_T	34_V	0.722	0.84
68_C	121_L	0.719	0.83
99_T	122_A	0.717	0.83
61_I	65_T	0.713	0.83
20_A	59_N	0.708	0.82
46_V	119_C	0.703	0.82
14_E	85_T	0.702	0.82
6_T	10_A	0.702	0.82
102_Y	121_L	0.700	0.82
13_I	48_L	0.696	0.81
73_I	77_H	0.694	0.81
91_E	105_H	0.685	0.80
61_I	66_Q	0.678	0.80
7_L	11_L	0.675	0.79
27_M	48_L	0.673	0.79
81_V	109_E	0.671	0.79
92_P	102_Y	0.671	0.79
56_G	95_I	0.668	0.79
16_V	25_A	0.667	0.79
43_G	47_A	0.664	0.78
45_S	77_H	0.661	0.78
76_N	120_T	0.658	0.78
97_R	110_Q	0.635	0.75
86_V	106_I	0.635	0.75
103_H	118_R	0.633	0.75
101_V	118_R	0.631	0.75
33_T	44_A	0.626	0.74
20_A	95_I	0.616	0.73
77_H	115_C	0.615	0.73
60_L	100_I	0.611	0.72
28_P	85_T	0.602	0.71
8_L	55_A	0.598	0.71
12_G	30_D	0.590	0.70
35_Q	70_G	0.589	0.69
15_I	52_A	0.588	0.69
37_F	67_A	0.585	0.69
12_G	85_T	0.583	0.69
27_M	40_L	0.579	0.68
91_E	107_Y	0.575	0.68
36_P	54_S	0.574	0.68
44_A	86_V	0.563	0.66
6_T	33_T	0.563	0.66
73_I	120_T	0.561	0.66
85_T	109_E	0.560	0.66
98_T	124_I	0.560	0.66
89_I	111_E	0.559	0.65
61_I	64_T	0.559	0.65
35_Q	50_E	0.558	0.65
78_L	116_I	0.555	0.65
50_E	77_H	0.555	0.65
34_V	38_G	0.554	0.65
40_L	86_V	0.554	0.65
20_A	60_L	0.552	0.65
61_I	121_L	0.550	0.64
52_A	90_A	0.549	0.64
72_E	119_C	0.547	0.64
13_I	77_H	0.546	0.64
57_A	103_H	0.541	0.63
87_K	108_D	0.539	0.63
45_S	50_E	0.531	0.62
40_L	44_A	0.531	0.62
83_E	109_E	0.530	0.61
33_T	86_V	0.530	0.61
61_I	123_V	0.526	0.61
56_G	100_I	0.525	0.61
97_R	111_E	0.512	0.59
46_V	74_N	0.511	0.59
16_V	95_I	0.505	0.58
10_A	33_T	0.500	0.57

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
1yocA	4	0.9841	99.9	0.417	Contact Map
1t82A	2	0.9762	99.9	0.417	Contact Map
3lmbA	2	0.9841	99.9	0.427	Contact Map
1sh8A	2	0.9841	99.9	0.429	Contact Map
4rmmA	2	0.9444	99.9	0.434	Contact Map
3gekA	3	0.9603	99.9	0.434	Contact Map
4m20A	3	0.9683	99.9	0.452	Contact Map
3e8pA	3	0.9841	99.9	0.453	Contact Map
4qd8A	3	0.9921	99.9	0.453	Contact Map
2q78A	4	0.9206	99.9	0.453	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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