ATOA - ECOLI - GREMLIN Contacts

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ATOA - Acetate CoA-transferase subunit beta

UniProt:	P76459	Sequences: MDAKQRIARRVAQELRDGDIVNLGIGLPTMVANYLPEGIHITLQSENGFLGLGPVTTAHPDLVNAGGQPCGVLPGAAMFDSAMSFALIRGGHIDACVLGGLQVDEEANLANWVVPGKMVPGMGGAMDLVTGSRKVIIAMEHCAKDGSAKILRRCTMPLTAQHAVHMLVTELAVFRFIDGKMWLTEIADGCDLATVRAKTEARFEVAADLNTQRGDL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11670
Length:	216 (203)
Sequences:	3106 (1441)
Seq/√Len:	101.1

ECOLI - ATOA YDIF
BACSU - YODR SCOB
HALSA - Q9HHP2
SULSO - Q97Z51

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
104_D	108_N	4.154	1.00
193_A	197_A	3.372	1.00
143_A	147_S	3.326	1.00
174_F	203_F	3.246	1.00
80_D	83_M	3.159	1.00
166_M	175_R	3.157	1.00
152_R	200_E	3.038	1.00
177_I	180_K	2.837	1.00
186_I	195_V	2.624	1.00
175_R	184_T	2.613	1.00
186_I	192_L	2.603	1.00
177_I	182_W	2.571	1.00
150_I	181_M	2.425	1.00
171_L	198_K	2.400	1.00
183_L	205_V	2.392	1.00
72_V	76_A	2.342	1.00
10_R	185_E	2.319	1.00
105_E	152_R	2.298	1.00
176_F	181_M	2.275	1.00
192_L	205_V	2.272	1.00
194_T	198_K	2.270	1.00
49_F	72_V	2.169	1.00
16_R	19_D	2.132	1.00
11_V	138_A	2.011	1.00
72_V	78_M	1.920	1.00
105_E	202_R	1.909	1.00
182_W	206_A	1.895	1.00
55_V	68_Q	1.856	1.00
11_V	97_V	1.829	1.00
191_D	194_T	1.823	1.00
7_I	138_A	1.801	1.00
171_L	190_C	1.781	1.00
167_L	176_F	1.778	1.00
11_V	168_V	1.765	1.00
106_E	153_R	1.761	1.00
194_T	197_A	1.722	1.00
196_R	203_F	1.715	1.00
192_L	196_R	1.711	1.00
44_Q	88_I	1.696	1.00
19_D	95_A	1.685	1.00
182_W	204_E	1.682	1.00
154_C	158_L	1.649	1.00
183_L	192_L	1.640	1.00
187_A	190_C	1.640	1.00
89_R	127_D	1.631	1.00
5_Q	34_Y	1.619	1.00
31_V	97_V	1.596	1.00
141_H	199_T	1.590	1.00
184_T	206_A	1.584	1.00
180_K	204_E	1.573	1.00
15_L	31_V	1.478	1.00
196_R	202_R	1.470	1.00
94_D	133_R	1.436	1.00
166_M	184_T	1.435	1.00
100_G	139_M	1.423	1.00
102_Q	155_T	1.414	1.00
150_I	167_L	1.405	1.00
134_K	164_V	1.395	1.00
14_E	166_M	1.333	0.99
179_G	204_E	1.331	0.99
148_A	200_E	1.319	0.99
14_E	168_V	1.296	0.99
49_F	52_L	1.256	0.99
167_L	181_M	1.239	0.99
95_A	136_I	1.234	0.99
15_L	21_V	1.227	0.99
199_T	203_F	1.218	0.99
45_S	49_F	1.207	0.99
172_A	195_V	1.206	0.99
100_G	109_L	1.191	0.99
153_R	156_M	1.186	0.98
136_I	168_V	1.185	0.98
147_S	150_I	1.178	0.98
175_R	182_W	1.174	0.98
50_L	79_F	1.160	0.98
4_K	30_M	1.144	0.98
152_R	202_R	1.140	0.98
186_I	190_C	1.131	0.98
173_V	185_E	1.122	0.98
64_N	68_Q	1.113	0.98
142_C	198_K	1.113	0.98
27_L	138_A	1.107	0.98
193_A	196_R	1.102	0.98
134_K	166_M	1.097	0.97
4_K	27_L	1.068	0.97
151_L	155_T	1.063	0.97
152_R	201_A	1.060	0.97
138_A	168_V	1.057	0.97
4_K	140_E	1.053	0.97
142_C	170_E	1.053	0.97
102_Q	156_M	1.024	0.96
95_A	134_K	1.021	0.96
183_L	195_V	1.017	0.96
6_R	9_R	1.009	0.96
32_A	35_L	1.006	0.96
146_G	157_P	1.003	0.96
174_F	196_R	1.000	0.96
102_Q	151_L	0.988	0.95
153_R	157_P	0.982	0.95
129_V	160_A	0.982	0.95
97_V	138_A	0.981	0.95
176_F	180_K	0.978	0.95
17_D	40_H	0.977	0.95
87_L	93_I	0.972	0.95
150_I	153_R	0.967	0.95
8_A	31_V	0.957	0.94
136_I	166_M	0.947	0.94
146_G	156_M	0.938	0.94
35_L	43_L	0.925	0.93
146_G	153_R	0.917	0.93
54_P	73_L	0.905	0.93
181_M	201_A	0.904	0.93
171_L	194_T	0.904	0.93
102_Q	148_A	0.899	0.92
148_A	156_M	0.898	0.92
177_I	204_E	0.895	0.92
146_G	154_C	0.889	0.92
53_G	71_G	0.885	0.92
28_P	99_G	0.883	0.92
106_E	162_H	0.879	0.91
183_L	203_F	0.879	0.91
32_A	55_V	0.874	0.91
17_D	39_I	0.872	0.91
25_I	47_N	0.871	0.91
190_C	194_T	0.870	0.91
146_G	150_I	0.850	0.90
147_S	155_T	0.849	0.90
100_G	103_V	0.840	0.89
10_R	173_V	0.838	0.89
20_I	87_L	0.833	0.89
15_L	97_V	0.829	0.89
56_T	71_G	0.827	0.89
101_L	115_P	0.822	0.88
6_R	188_D	0.822	0.88
53_G	56_T	0.816	0.88
190_C	195_V	0.813	0.88
141_H	171_L	0.811	0.88
59_H	62_L	0.809	0.88
179_G	206_A	0.806	0.87
174_F	205_V	0.802	0.87
147_S	154_C	0.799	0.87
14_E	134_K	0.791	0.86
11_V	31_V	0.788	0.86
103_V	109_L	0.781	0.86
15_L	41_I	0.779	0.86
105_E	201_A	0.777	0.85
28_P	47_N	0.777	0.85
181_M	203_F	0.775	0.85
150_I	154_C	0.775	0.85
151_L	154_C	0.772	0.85
27_L	30_M	0.763	0.84
179_G	182_W	0.759	0.84
63_V	66_G	0.758	0.84
69_P	120_P	0.758	0.84
148_A	153_R	0.752	0.84
113_V	119_V	0.746	0.83
192_L	203_F	0.745	0.83
112_W	115_P	0.738	0.82
9_R	34_Y	0.736	0.82
5_Q	9_R	0.734	0.82
102_Q	143_A	0.730	0.82
152_R	155_T	0.730	0.82
9_R	13_Q	0.730	0.82
160_A	163_A	0.729	0.82
164_V	175_R	0.728	0.82
25_I	99_G	0.721	0.81
36_P	39_I	0.719	0.81
134_K	165_H	0.712	0.80
196_R	204_E	0.712	0.80
27_L	140_E	0.710	0.80
129_V	163_A	0.708	0.80
177_I	206_A	0.707	0.80
15_L	95_A	0.705	0.79
10_R	14_E	0.701	0.79
97_V	168_V	0.691	0.78
49_F	78_M	0.691	0.78
145_D	148_A	0.689	0.78
171_L	187_A	0.687	0.78
79_F	84_S	0.685	0.78
196_R	205_V	0.685	0.78
167_L	174_F	0.684	0.77
192_L	195_V	0.683	0.77
25_I	67_G	0.679	0.77
148_A	157_P	0.677	0.77
114_V	117_K	0.675	0.76
60_P	69_P	0.674	0.76
150_I	157_P	0.673	0.76
62_L	65_A	0.673	0.76
20_I	50_L	0.672	0.76
171_L	195_V	0.672	0.76
60_P	64_N	0.670	0.76
143_A	148_A	0.669	0.76
158_L	161_Q	0.668	0.76
91_G	98_L	0.667	0.76
46_E	85_F	0.667	0.76
55_V	69_P	0.659	0.75
11_V	136_I	0.657	0.75
104_D	153_R	0.656	0.74
14_E	136_I	0.654	0.74
55_V	71_G	0.654	0.74
150_I	156_M	0.652	0.74
6_R	187_A	0.647	0.73
5_Q	30_M	0.647	0.73
174_F	181_M	0.647	0.73
171_L	199_T	0.646	0.73
122_M	126_M	0.641	0.73
10_R	13_Q	0.639	0.72
68_Q	130_T	0.639	0.72
187_A	195_V	0.631	0.72
7_I	11_V	0.625	0.71
25_I	29_T	0.625	0.71
193_A	202_R	0.623	0.71
147_S	157_P	0.621	0.70
52_L	72_V	0.615	0.70
21_V	41_I	0.611	0.69
103_V	181_M	0.610	0.69
45_S	84_S	0.604	0.68
147_S	153_R	0.602	0.68
58_A	62_L	0.599	0.68
58_A	69_P	0.598	0.67
70_C	78_M	0.592	0.67
59_H	70_C	0.591	0.67
114_V	156_M	0.591	0.67
186_I	189_G	0.587	0.66
17_D	38_G	0.587	0.66
12_A	91_G	0.585	0.66
172_A	203_F	0.584	0.66
121_G	168_V	0.583	0.66
14_E	173_V	0.582	0.65
142_C	148_A	0.580	0.65
147_S	156_M	0.577	0.65
111_N	115_P	0.576	0.65
6_R	170_E	0.576	0.65
109_L	137_I	0.574	0.64
49_F	75_G	0.571	0.64
186_I	191_D	0.571	0.64
55_V	120_P	0.571	0.64
122_M	129_V	0.569	0.64
13_Q	16_R	0.567	0.63
101_L	114_V	0.566	0.63
8_A	34_Y	0.565	0.63
202_R	205_V	0.564	0.63
195_V	198_K	0.564	0.63
19_D	134_K	0.561	0.63
67_G	71_G	0.559	0.62
109_L	129_V	0.557	0.62
154_C	157_P	0.557	0.62
8_A	27_L	0.556	0.62
146_G	155_T	0.556	0.62
26_G	46_E	0.554	0.62
20_I	42_T	0.553	0.61
17_D	36_P	0.552	0.61
146_G	151_L	0.549	0.61
121_G	136_I	0.548	0.61
148_A	201_A	0.548	0.61
95_A	130_T	0.547	0.61
35_L	39_I	0.547	0.61
55_V	73_L	0.546	0.61
172_A	186_I	0.545	0.60
114_V	118_M	0.545	0.60
172_A	184_T	0.545	0.60
11_V	130_T	0.543	0.60
49_F	70_C	0.542	0.60
8_A	30_M	0.540	0.60
25_I	81_S	0.540	0.60
64_N	70_C	0.540	0.60
58_A	72_V	0.540	0.60
115_P	121_G	0.540	0.60
90_G	131_G	0.539	0.60
183_L	196_R	0.537	0.59
58_A	113_V	0.537	0.59
5_Q	38_G	0.537	0.59
31_V	35_L	0.535	0.59
122_M	156_M	0.533	0.59
109_L	164_V	0.533	0.59
190_C	198_K	0.530	0.58
7_I	170_E	0.530	0.58
130_T	160_A	0.529	0.58
93_I	98_L	0.528	0.58
108_N	162_H	0.528	0.58
109_L	122_M	0.526	0.58
29_T	66_G	0.525	0.58
28_P	138_A	0.523	0.57
50_L	77_A	0.522	0.57
146_G	152_R	0.521	0.57
118_M	122_M	0.521	0.57
118_M	156_M	0.519	0.57
13_Q	196_R	0.517	0.56
159_T	162_H	0.516	0.56
155_T	178_D	0.516	0.56
88_I	93_I	0.516	0.56
49_F	76_A	0.515	0.56
202_R	206_A	0.514	0.56
127_D	131_G	0.513	0.56
126_M	131_G	0.511	0.56
182_W	205_V	0.508	0.55
16_R	39_I	0.508	0.55
102_Q	152_R	0.507	0.55
35_L	41_I	0.506	0.55
7_I	92_H	0.503	0.54
29_T	102_Q	0.502	0.54
63_V	69_P	0.501	0.54
75_G	78_M	0.501	0.54
35_L	119_V	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
1poiB	1	0.963	100	0.3	Contact Map
3k6mA	2	0.9954	100	0.32	Contact Map
4kgbA	2	0.9722	100	0.328	Contact Map
2ahuA	3	0.9306	100	0.34	Contact Map
1xr4A	2	0.9815	100	0.444	Contact Map
2hj0A	2	0.9769	100	0.465	Contact Map
3gk7A	2	0.9769	100	0.506	Contact Map
3rrlB	1	0.9444	100	0.508	Contact Map
3d3uA	1	0.8843	100	0.519	Contact Map
2oasA	3	0.9676	100	0.523	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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