ESTB - BACSU - GREMLIN Contacts

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ESTB - Extracellular esterase EstB

UniProt:	Q79F14	Sequences: MKKVLMAFIICLSLILSVLAAPPSGAKAESVHNPVVLVHGISGASYNFFAIKNYLISQGWQSNKLYAIDFYDKTGNNLNNGPQLASYVDRVLKETGAKKVDIVAHSMGGANTLYYIKYLGGGNKIQNVVTLGGANGLVSSTALPGTDPNQKILYTSIYSLNDQIVINSLSRLQGARNIQLYGIGHIGLLSNSQVNGYIKEGLNGGGLNTN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	210 (175)
Sequences:	3785 (2759)
Seq/√Len:	208.6

BACSU - ESTB ESTA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
132_G	188_L	3.643	1.00
112_T	128_V	3.304	1.00
130_T	135_N	3.283	1.00
109_G	133_G	3.264	1.00
113_L	135_N	3.004	1.00
41_I	107_M	2.631	1.00
102_I	112_T	2.598	1.00
104_A	112_T	2.395	1.00
33_N	99_K	2.383	1.00
45_S	69_D	2.346	1.00
38_V	112_T	2.333	1.00
101_D	126_Q	2.287	1.00
130_T	133_G	2.175	1.00
58_Q	199_K	2.150	1.00
54_Y	195_N	2.107	1.00
155_T	201_G	2.068	1.00
114_Y	119_L	2.066	1.00
89_D	124_K	2.026	1.00
99_K	126_Q	1.994	1.00
33_N	101_D	1.992	1.00
38_V	84_L	1.851	1.00
110_A	133_G	1.839	1.00
92_L	124_K	1.835	1.00
81_G	114_Y	1.825	1.00
51_I	198_I	1.801	1.00
116_I	128_V	1.791	1.00
54_Y	58_Q	1.759	1.00
36_V	102_I	1.757	1.00
110_A	134_A	1.719	1.00
139_S	166_I	1.703	1.00
35_V	103_V	1.674	1.00
41_I	138_V	1.656	1.00
33_N	126_Q	1.623	1.00
114_Y	118_Y	1.601	1.00
127_N	153_L	1.594	1.00
43_G	47_N	1.581	1.00
127_N	155_T	1.570	1.00
85_A	115_Y	1.561	1.00
135_N	156_S	1.530	1.00
36_V	87_Y	1.521	1.00
88_V	100_V	1.505	1.00
68_I	84_L	1.494	1.00
81_G	115_Y	1.481	1.00
90_R	94_E	1.445	1.00
85_A	89_D	1.400	1.00
184_G	187_G	1.388	1.00
41_I	164_I	1.383	1.00
36_V	91_V	1.367	1.00
102_I	125_I	1.337	1.00
88_V	115_Y	1.333	1.00
115_Y	121_G	1.290	1.00
116_I	125_I	1.282	1.00
131_L	194_V	1.268	1.00
92_L	97_A	1.258	1.00
183_I	191_N	1.249	1.00
37_L	48_F	1.247	1.00
101_D	202_L	1.210	1.00
87_Y	91_V	1.204	1.00
197_Y	200_E	1.195	1.00
158_Y	170_S	1.193	1.00
51_I	195_N	1.192	1.00
68_I	87_Y	1.190	1.00
138_V	141_T	1.187	1.00
104_A	133_G	1.187	1.00
91_V	95_T	1.184	1.00
52_K	56_I	1.176	1.00
37_L	52_K	1.170	1.00
103_V	198_I	1.163	1.00
37_L	55_L	1.147	1.00
47_N	189_L	1.147	1.00
39_H	69_D	1.146	1.00
36_V	100_V	1.146	1.00
109_G	130_T	1.142	1.00
66_Y	91_V	1.126	1.00
132_G	159_S	1.125	1.00
101_D	127_N	1.112	1.00
78_L	114_Y	1.098	1.00
40_G	106_S	1.079	1.00
82_P	86_S	1.071	1.00
75_G	79_N	1.056	1.00
86_S	90_R	1.046	1.00
165_V	170_S	1.040	1.00
35_V	55_L	1.031	1.00
133_G	156_S	1.030	1.00
80_N	111_N	1.029	1.00
175_A	178_I	1.028	1.00
70_F	73_K	1.026	1.00
87_Y	90_R	1.019	1.00
129_V	201_G	1.018	1.00
129_V	198_I	1.017	1.00
77_N	107_M	1.008	1.00
199_K	203_N	1.002	1.00
177_N	180_L	1.001	1.00
37_L	103_V	0.999	1.00
39_H	67_A	0.985	1.00
49_F	53_N	0.966	1.00
134_A	165_V	0.965	1.00
183_I	187_G	0.964	1.00
34_P	66_Y	0.956	1.00
28_A	32_H	0.951	0.99
52_K	67_A	0.940	0.99
196_G	199_K	0.939	0.99
109_G	134_A	0.938	0.99
167_N	170_S	0.932	0.99
70_F	107_M	0.908	0.99
146_T	150_Q	0.907	0.99
54_Y	199_K	0.906	0.99
147_D	150_Q	0.903	0.99
66_Y	87_Y	0.899	0.99
160_L	182_G	0.898	0.99
39_H	72_D	0.896	0.99
76_N	79_N	0.891	0.99
56_I	65_L	0.886	0.99
137_L	141_T	0.879	0.99
25_G	28_A	0.872	0.99
43_G	189_L	0.869	0.99
66_Y	95_T	0.868	0.99
158_Y	179_Q	0.865	0.99
39_H	48_F	0.861	0.99
163_Q	167_N	0.860	0.99
28_A	31_V	0.860	0.99
46_Y	190_S	0.849	0.99
92_L	98_K	0.849	0.99
117_K	145_G	0.845	0.99
103_V	131_L	0.833	0.99
58_Q	195_N	0.826	0.99
90_R	93_K	0.825	0.99
72_D	107_M	0.821	0.98
113_L	134_A	0.819	0.98
89_D	92_L	0.811	0.98
91_V	97_A	0.802	0.98
195_N	199_K	0.801	0.98
25_G	61_Q	0.800	0.98
159_S	167_N	0.800	0.98
140_S	164_I	0.793	0.98
53_N	56_I	0.792	0.98
148_P	154_Y	0.787	0.98
50_A	53_N	0.781	0.98
148_P	151_K	0.780	0.98
83_Q	86_S	0.771	0.98
130_T	156_S	0.770	0.98
78_L	82_P	0.770	0.98
89_D	121_G	0.769	0.98
131_L	188_L	0.768	0.98
183_I	188_L	0.763	0.98
158_Y	171_R	0.762	0.98
179_Q	182_G	0.760	0.98
104_A	116_I	0.745	0.97
125_I	152_I	0.744	0.97
70_F	111_N	0.732	0.97
155_T	158_Y	0.728	0.97
158_Y	167_N	0.725	0.97
160_L	167_N	0.724	0.97
168_S	171_R	0.723	0.97
131_L	198_I	0.720	0.97
110_A	141_T	0.719	0.97
166_I	170_S	0.707	0.96
82_P	85_A	0.701	0.96
70_F	80_N	0.696	0.96
91_V	96_G	0.695	0.96
166_I	169_L	0.693	0.96
55_L	59_G	0.693	0.96
193_Q	196_G	0.689	0.96
46_Y	49_F	0.686	0.95
83_Q	87_Y	0.686	0.95
51_I	55_L	0.685	0.95
79_N	82_P	0.682	0.95
157_I	178_I	0.680	0.95
159_S	188_L	0.676	0.95
114_Y	117_K	0.674	0.95
155_T	178_I	0.672	0.95
54_Y	57_S	0.662	0.95
81_G	85_A	0.661	0.94
37_L	65_L	0.657	0.94
163_Q	184_G	0.648	0.94
186_I	189_L	0.647	0.94
31_V	98_K	0.645	0.94
43_G	105_H	0.643	0.94
109_G	128_V	0.641	0.94
130_T	134_A	0.641	0.94
44_A	47_N	0.638	0.93
88_V	102_I	0.637	0.93
77_N	111_N	0.633	0.93
188_L	194_V	0.630	0.93
45_S	67_A	0.629	0.93
66_Y	72_D	0.628	0.93
25_G	29_E	0.628	0.93
35_V	101_D	0.625	0.93
81_G	111_N	0.624	0.93
149_N	152_I	0.623	0.93
105_H	189_L	0.623	0.93
197_Y	201_G	0.622	0.92
39_H	73_K	0.621	0.92
29_E	32_H	0.620	0.92
84_L	111_N	0.619	0.92
50_A	54_Y	0.612	0.92
110_A	137_L	0.602	0.91
26_A	29_E	0.601	0.91
145_G	148_P	0.597	0.91
39_H	164_I	0.592	0.91
149_N	154_Y	0.590	0.90
25_G	32_H	0.588	0.90
101_D	129_V	0.587	0.90
147_D	153_L	0.587	0.90
35_V	155_T	0.585	0.90
25_G	30_S	0.584	0.90
138_V	167_N	0.584	0.90
72_D	75_G	0.583	0.90
81_G	119_L	0.583	0.90
143_L	148_P	0.582	0.90
60_W	65_L	0.581	0.90
48_F	51_I	0.581	0.90
143_L	154_Y	0.580	0.90
115_Y	124_K	0.579	0.90
42_S	74_T	0.578	0.90
136_G	143_L	0.576	0.89
39_H	70_F	0.572	0.89
138_V	164_I	0.569	0.89
156_S	171_R	0.569	0.89
154_Y	159_S	0.568	0.89
197_Y	203_N	0.568	0.89
51_I	131_L	0.567	0.89
103_V	129_V	0.566	0.89
37_L	51_I	0.561	0.88
89_D	120_G	0.558	0.88
164_I	189_L	0.556	0.88
136_G	147_D	0.555	0.88
194_V	198_I	0.553	0.87
132_G	170_S	0.550	0.87
43_G	107_M	0.548	0.87
31_V	203_N	0.548	0.87
105_H	108_G	0.547	0.87
104_A	130_T	0.547	0.87
95_T	99_K	0.546	0.87
105_H	158_Y	0.542	0.86
116_I	152_I	0.542	0.86
183_I	194_V	0.542	0.86
39_H	68_I	0.541	0.86
50_A	190_S	0.540	0.86
43_G	164_I	0.539	0.86
156_S	170_S	0.539	0.86
196_G	200_E	0.536	0.86
153_L	156_S	0.536	0.86
88_V	92_L	0.536	0.86
34_P	125_I	0.531	0.85
52_K	65_L	0.529	0.85
44_A	73_K	0.528	0.85
91_V	100_V	0.527	0.85
53_N	57_S	0.525	0.85
177_N	181_Y	0.523	0.84
104_A	128_V	0.523	0.84
39_H	43_G	0.521	0.84
48_F	107_M	0.521	0.84
41_I	70_F	0.513	0.83
200_E	203_N	0.513	0.83
138_V	166_I	0.509	0.83
100_V	126_Q	0.507	0.82
111_N	133_G	0.504	0.82
154_Y	158_Y	0.504	0.82
82_P	145_G	0.502	0.82
34_P	96_G	0.501	0.82
82_P	118_Y	0.500	0.82

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
1ispA	1	0.8524	100	0.448	Contact Map
3ds8A	1	0.8571	99.9	0.491	Contact Map
3lp5A	1	0.8476	99.9	0.528	Contact Map
4k5qA	1	0.9714	99.9	0.535	Contact Map
2x5xA	2	0.9476	99.9	0.536	Contact Map
4hs9A	1	0.819	99.9	0.54	Contact Map
3icvA	2	0.9619	99.9	0.544	Contact Map
3fleA	1	0.8143	99.9	0.555	Contact Map
4x90A	4	0.9714	99.9	0.556	Contact Map
4fkbA	2	0.8333	99.9	0.556	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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