TESA - ECOLI - GREMLIN Contacts

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TESA - Acyl-CoA thioesterase I

UniProt:	P0ADA1	Sequences: MMNFNNVFRWHLPFLFLVLLTFRAAAADTLLILGDSLSAGYRMSASAAWPALLNDKWQSKTSVVNASISGDTSQQGLARLPALLKQHQPRWVLVELGGNDGLRGFQPQQTEQTLRQILQDVKAANAEPLLMQIRLPANYGRRYNEAFSAIYPKLAKEFDVPLLPFFMEEVYLKPQWMQDDGIHPNRDAQPFIADWMAKQLQPLVNHDS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11542
Length:	208 (178)
Sequences:	11246 (8496)
Seq/√Len:	636.8

ECOLI - TESA
BACSU - YQEF YPMR RHGT1 RHGT2 LIPC YXIM
SULSO - Q97UG8

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_Q	162_L	3.760	1.00
115_R	158_F	3.338	1.00
119_Q	158_F	3.234	1.00
111_E	153_K	3.158	1.00
115_R	157_E	2.891	1.00
73_S	113_T	2.809	1.00
76_G	96_L	2.791	1.00
92_V	121_V	2.672	1.00
71_D	79_R	2.521	1.00
81_P	120_D	2.446	1.00
32_I	38_S	2.438	1.00
30_L	93_L	2.275	1.00
133_I	148_S	2.001	1.00
155_A	162_L	1.992	1.00
115_R	119_Q	1.947	1.00
92_V	126_A	1.864	1.00
111_E	150_I	1.837	1.00
29_T	62_S	1.827	1.00
164_P	167_M	1.804	1.00
122_K	158_F	1.775	1.00
39_A	69_S	1.762	1.00
77_L	116_Q	1.759	1.00
127_E	161_P	1.733	1.00
56_K	197_A	1.730	1.00
52_L	190_P	1.693	1.00
130_L	155_A	1.692	1.00
131_M	196_M	1.688	1.00
32_I	93_L	1.666	1.00
190_P	194_D	1.618	1.00
71_D	75_Q	1.607	1.00
195_W	198_K	1.584	1.00
44_S	186_R	1.579	1.00
37_L	184_P	1.569	1.00
191_F	194_D	1.564	1.00
41_Y	69_S	1.528	1.00
33_L	76_G	1.496	1.00
106_Q	109_Q	1.479	1.00
184_P	192_I	1.475	1.00
132_Q	164_P	1.461	1.00
150_I	153_K	1.461	1.00
73_S	110_T	1.461	1.00
152_P	162_L	1.460	1.00
154_L	158_F	1.430	1.00
163_L	199_Q	1.420	1.00
118_L	160_V	1.413	1.00
47_A	186_R	1.411	1.00
77_L	113_T	1.411	1.00
120_D	124_A	1.383	1.00
132_Q	152_P	1.378	1.00
110_T	147_F	1.370	1.00
165_F	192_I	1.369	1.00
37_L	98_G	1.311	1.00
118_L	130_L	1.311	1.00
73_S	114_L	1.309	1.00
38_S	67_S	1.305	1.00
187_D	190_P	1.301	1.00
149_A	153_K	1.298	1.00
56_K	194_D	1.293	1.00
111_E	115_R	1.257	1.00
80_L	121_V	1.255	1.00
31_L	89_P	1.233	1.00
43_M	186_R	1.231	1.00
32_I	50_P	1.228	1.00
141_R	145_E	1.211	1.00
116_Q	120_D	1.210	1.00
144_N	148_S	1.193	1.00
29_T	90_R	1.185	1.00
115_R	154_L	1.180	1.00
73_S	117_I	1.170	1.00
91_W	129_L	1.169	1.00
79_R	83_L	1.160	1.00
121_V	126_A	1.145	1.00
28_D	90_R	1.107	1.00
114_L	151_Y	1.107	1.00
152_P	156_K	1.105	1.00
118_L	158_F	1.099	1.00
95_E	134_R	1.059	1.00
77_L	120_D	1.053	1.00
118_L	154_L	1.051	1.00
193_A	197_A	1.049	1.00
48_A	51_A	1.045	1.00
102_L	182_I	1.032	1.00
89_P	126_A	1.027	1.00
168_E	195_W	1.025	1.00
134_R	184_P	1.024	1.00
38_S	95_E	1.022	1.00
85_K	124_A	1.000	1.00
52_L	193_A	0.997	1.00
129_L	163_L	0.994	1.00
105_F	109_Q	0.993	1.00
147_F	151_Y	0.985	1.00
107_P	146_A	0.983	1.00
109_Q	112_Q	0.983	1.00
28_D	61_T	0.980	1.00
94_V	117_I	0.977	1.00
170_V	173_K	0.962	1.00
73_S	96_L	0.962	1.00
189_Q	192_I	0.962	1.00
98_G	182_I	0.961	1.00
74_Q	78_A	0.954	1.00
110_T	151_Y	0.952	1.00
54_N	58_Q	0.947	1.00
119_Q	123_A	0.945	1.00
93_L	129_L	0.942	1.00
143_Y	146_A	0.935	1.00
53_L	197_A	0.933	1.00
100_D	113_T	0.928	1.00
81_P	85_K	0.927	1.00
49_W	189_Q	0.926	1.00
91_W	127_E	0.923	1.00
130_L	151_Y	0.922	1.00
120_D	123_A	0.912	1.00
29_T	64_V	0.911	1.00
93_L	131_M	0.908	1.00
110_T	150_I	0.907	1.00
98_G	136_P	0.904	1.00
191_F	195_W	0.903	1.00
197_A	201_Q	0.894	1.00
75_Q	78_A	0.890	1.00
31_L	66_A	0.889	1.00
142_R	146_A	0.888	1.00
113_T	117_I	0.883	1.00
80_L	117_I	0.880	1.00
114_L	118_L	0.880	1.00
149_A	152_P	0.877	1.00
74_Q	109_Q	0.875	1.00
51_A	54_N	0.865	1.00
153_K	157_E	0.853	1.00
68_I	71_D	0.848	1.00
118_L	128_P	0.847	1.00
111_E	157_E	0.844	1.00
72_T	75_Q	0.838	1.00
109_Q	113_T	0.837	1.00
145_E	149_A	0.832	1.00
112_Q	115_R	0.829	1.00
169_E	173_K	0.825	1.00
110_T	114_L	0.821	1.00
114_L	130_L	0.821	1.00
74_Q	113_T	0.820	1.00
121_V	128_P	0.814	1.00
119_Q	122_K	0.806	1.00
37_L	134_R	0.800	1.00
35_D	97_G	0.799	1.00
95_E	131_M	0.793	1.00
50_P	54_N	0.792	1.00
32_I	53_L	0.790	1.00
73_S	77_L	0.789	1.00
30_L	63_V	0.788	1.00
169_E	174_P	0.787	1.00
152_P	164_P	0.782	1.00
56_K	193_A	0.775	1.00
112_Q	116_Q	0.774	1.00
107_P	150_I	0.773	1.00
108_Q	150_I	0.763	1.00
66_A	83_L	0.761	1.00
107_P	111_E	0.756	1.00
108_Q	112_Q	0.753	1.00
148_S	151_Y	0.752	1.00
82_A	85_K	0.752	1.00
166_F	170_V	0.746	1.00
177_M	191_F	0.744	1.00
154_L	157_E	0.740	1.00
111_E	154_L	0.737	1.00
154_L	160_V	0.737	1.00
52_L	56_K	0.736	1.00
101_G	136_P	0.734	1.00
155_A	160_V	0.734	1.00
116_Q	119_Q	0.731	1.00
130_L	154_L	0.730	1.00
113_T	116_Q	0.730	1.00
93_L	196_M	0.728	1.00
195_W	199_Q	0.726	1.00
99_N	183_H	0.722	1.00
169_E	172_L	0.720	1.00
68_I	79_R	0.713	1.00
76_G	117_I	0.708	1.00
95_E	98_G	0.696	1.00
146_A	149_A	0.689	1.00
98_G	133_I	0.683	1.00
53_L	193_A	0.683	1.00
118_L	122_K	0.681	1.00
146_A	150_I	0.676	1.00
141_R	144_N	0.672	1.00
30_L	91_W	0.667	1.00
131_M	192_I	0.666	1.00
38_S	49_W	0.664	1.00
158_F	161_P	0.659	1.00
44_S	47_A	0.658	1.00
43_M	48_A	0.657	1.00
162_L	165_F	0.655	1.00
60_K	201_Q	0.655	1.00
36_S	183_H	0.643	1.00
31_L	83_L	0.639	1.00
98_G	134_R	0.639	1.00
49_W	196_M	0.638	1.00
33_L	83_L	0.638	1.00
101_G	110_T	0.630	1.00
33_L	66_A	0.628	1.00
52_L	189_Q	0.627	1.00
56_K	190_P	0.627	1.00
43_M	189_Q	0.626	1.00
105_F	110_T	0.624	1.00
177_M	181_G	0.623	1.00
54_N	63_V	0.622	1.00
142_R	145_E	0.614	1.00
37_L	182_I	0.609	1.00
125_N	128_P	0.609	1.00
39_A	67_S	0.606	1.00
151_Y	154_L	0.606	1.00
38_S	93_L	0.605	1.00
61_T	91_W	0.605	1.00
101_G	143_Y	0.603	1.00
36_S	99_N	0.599	1.00
148_S	152_P	0.598	1.00
77_L	81_P	0.594	1.00
128_P	160_V	0.592	1.00
129_L	199_Q	0.592	1.00
108_Q	111_E	0.588	1.00
114_L	154_L	0.585	1.00
162_L	167_M	0.579	1.00
84_L	89_P	0.578	1.00
47_A	52_L	0.574	1.00
67_S	79_R	0.572	1.00
94_V	121_V	0.570	1.00
129_L	161_P	0.569	1.00
77_L	117_I	0.569	1.00
168_E	171_Y	0.568	1.00
25_A	28_D	0.566	1.00
24_A	28_D	0.565	1.00
37_L	95_E	0.564	1.00
32_I	63_V	0.560	1.00
178_Q	181_G	0.552	1.00
145_E	166_F	0.552	1.00
65_N	68_I	0.551	1.00
33_L	80_L	0.547	1.00
175_Q	187_D	0.547	1.00
56_K	60_K	0.546	1.00
52_L	55_D	0.539	0.99
184_P	189_Q	0.537	0.99
163_L	196_M	0.536	0.99
35_D	95_E	0.535	0.99
66_A	87_H	0.533	0.99
31_L	64_V	0.530	0.99
92_V	128_P	0.527	0.99
196_M	199_Q	0.525	0.99
180_D	183_H	0.525	0.99
94_V	128_P	0.523	0.99
32_I	49_W	0.522	0.99
132_Q	151_Y	0.522	0.99
77_L	112_Q	0.522	0.99
33_L	96_L	0.520	0.99
187_D	191_F	0.517	0.99
176_W	179_D	0.516	0.99
170_V	174_P	0.515	0.99
161_P	199_Q	0.513	0.99
108_Q	146_A	0.513	0.99
144_N	147_F	0.512	0.99
69_S	102_L	0.512	0.99
32_I	67_S	0.511	0.99
136_P	182_I	0.509	0.99
40_G	189_Q	0.506	0.99
72_T	103_R	0.506	0.99
83_L	86_Q	0.504	0.99
163_L	195_W	0.503	0.99
168_E	191_F	0.502	0.99
134_R	148_S	0.500	0.99
153_K	156_K	0.500	0.99

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
4jggA	1	0.851	100	0.294	Contact Map
1ivnA	2	0.8606	100	0.296	Contact Map
3hp4A	1	0.8606	100	0.31	Contact Map
4q9aA	2	0.8894	100	0.313	Contact Map
2o14A	1	1	100	0.322	Contact Map
4jhlA	5	0.899	100	0.322	Contact Map
3milA	2	0.8846	100	0.323	Contact Map
4rw0A	1	0.8462	100	0.324	Contact Map
4tx1A	5	0.8413	100	0.328	Contact Map
3rjtA	2	0.875	100	0.328	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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