Q9HSK8 - HALSA - GREMLIN Contacts

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Q9HSK8 - Lipoate protein ligase

UniProt:	Q9HSK8	Sequences: MDLADRDWRLIREDTRPGPMQMALDEIAAQTAADGGPRTVRVYTWTPDTLSMGYRQATDSVDWAAAADAGIDVTRRQTGGGGIYHDAHADISYSIVAPADELPGDLMDTYELLCTPVFDAFDRLGIDARFTDTEQPALHQPACYLRALNPAHDIVAGDPGRKISGNAQYRRADAVIQHGSLSFALDAERHLSVFSDPDTTPAAFREHVTTIEAQAGVDRADAVTAVERALGEWADADEGEWTDAELARARDLAAEKYAADAWVRDRTAPGDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	272 (229)
Sequences:	2612 (1846)
Seq/√Len:	122.0

ECOLI - LPLA
BACSU - LIPM LIPL LPLJ
HALSA - Q9HSK8 Q9HMH8 Q9HHS2
SULSO - Q97U62 Q97Z70 Q97Z28 Q97U65

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
251_D	255_E	4.002	1.00
184_A	212_E	3.871	1.00
209_T	214_Q	3.500	1.00
115_T	119_D	2.865	1.00
66_A	73_V	2.822	1.00
26_E	30_Q	2.806	1.00
65_A	69_A	2.780	1.00
122_D	127_D	2.647	1.00
69_A	193_V	2.576	1.00
123_R	232_E	2.509	1.00
64_A	68_D	2.414	1.00
218_D	221_D	2.394	1.00
242_T	245_E	2.331	1.00
248_R	251_D	2.260	1.00
123_R	229_A	2.190	1.00
43_Y	94_S	2.140	1.00
119_D	232_E	2.062	1.00
26_E	256_K	2.013	1.00
93_Y	179_G	2.001	1.00
124_L	225_A	1.943	1.00
186_D	189_R	1.866	1.00
85_H	92_S	1.852	1.00
74_T	263_V	1.842	1.00
127_D	159_P	1.842	1.00
30_Q	248_R	1.840	1.00
78_T	169_Y	1.808	1.00
47_P	72_D	1.800	1.00
154_I	163_I	1.798	1.00
252_L	257_Y	1.745	1.00
250_R	254_A	1.742	1.00
224_T	228_R	1.736	1.00
65_A	68_D	1.694	1.00
17_P	20_M	1.685	1.00
209_T	213_A	1.671	1.00
26_E	257_Y	1.668	1.00
69_A	192_S	1.654	1.00
9_R	245_E	1.654	1.00
120_A	229_A	1.653	1.00
119_D	229_A	1.634	1.00
91_I	219_R	1.623	1.00
12_R	223_V	1.620	1.00
244_A	247_A	1.615	1.00
40_V	230_L	1.578	1.00
51_S	85_H	1.569	1.00
20_M	246_L	1.559	1.00
252_L	256_K	1.552	1.00
91_I	222_A	1.547	1.00
119_D	122_D	1.527	1.00
30_Q	171_R	1.507	1.00
31_T	248_R	1.503	1.00
25_D	178_H	1.499	1.00
164_S	180_S	1.490	1.00
50_L	66_A	1.485	1.00
85_H	90_D	1.483	1.00
99_A	173_D	1.469	1.00
254_A	258_A	1.463	1.00
22_M	25_D	1.429	1.00
63_W	67_A	1.413	1.00
10_L	227_E	1.411	1.00
156_A	163_I	1.367	1.00
82_G	194_F	1.365	1.00
65_A	193_V	1.356	1.00
28_A	39_T	1.349	1.00
245_E	248_R	1.321	1.00
239_G	245_E	1.303	1.00
111_E	115_T	1.297	1.00
63_W	73_V	1.296	1.00
61_V	66_A	1.292	1.00
161_R	213_A	1.291	1.00
21_Q	46_T	1.291	1.00
62_D	195_S	1.291	1.00
161_R	209_T	1.286	1.00
192_S	195_S	1.277	1.00
241_W	249_A	1.275	1.00
22_M	51_S	1.274	1.00
69_A	189_R	1.272	1.00
118_F	128_A	1.271	1.00
167_A	178_H	1.268	1.00
47_P	87_A	1.248	0.99
152_H	207_H	1.228	0.99
46_T	85_H	1.226	0.99
64_A	67_A	1.223	0.99
128_A	156_A	1.201	0.99
20_M	24_L	1.198	0.99
90_D	180_S	1.197	0.99
62_D	65_A	1.193	0.99
27_I	31_T	1.193	0.99
247_A	251_D	1.190	0.99
227_E	231_G	1.188	0.99
183_F	222_A	1.186	0.99
78_T	178_H	1.181	0.99
32_A	98_P	1.179	0.99
91_I	223_V	1.166	0.99
43_Y	177_Q	1.157	0.99
189_R	192_S	1.151	0.99
243_D	247_A	1.150	0.99
164_S	179_G	1.150	0.99
166_N	177_Q	1.147	0.99
44_T	219_R	1.141	0.99
156_A	214_Q	1.133	0.99
21_Q	85_H	1.130	0.99
65_A	71_I	1.117	0.99
123_R	225_A	1.115	0.99
200_T	203_A	1.114	0.99
27_I	249_A	1.113	0.99
38_R	98_P	1.090	0.99
128_A	131_T	1.086	0.99
166_N	179_G	1.077	0.98
51_S	83_I	1.076	0.98
260_D	263_V	1.076	0.98
25_D	41_R	1.070	0.98
18_G	74_T	1.063	0.98
152_H	199_T	1.053	0.98
28_A	32_A	1.049	0.98
163_I	211_I	1.032	0.98
220_A	224_T	1.032	0.98
81_G	164_S	1.027	0.98
77_Q	256_K	1.025	0.98
9_R	239_G	1.016	0.98
43_Y	51_S	1.015	0.98
251_D	254_A	1.011	0.98
128_A	154_I	1.008	0.98
131_T	155_V	1.007	0.98
239_G	242_T	0.998	0.97
77_Q	169_Y	0.998	0.97
12_R	227_E	0.994	0.97
111_E	130_F	0.990	0.97
50_L	194_F	0.980	0.97
119_D	233_W	0.979	0.97
168_Q	177_Q	0.975	0.97
113_L	116_P	0.974	0.97
52_M	82_G	0.964	0.97
120_A	226_V	0.961	0.97
71_I	193_V	0.954	0.97
114_C	166_N	0.948	0.97
123_R	228_R	0.947	0.97
22_M	85_H	0.943	0.96
42_V	223_V	0.938	0.96
86_D	189_R	0.937	0.96
51_S	90_D	0.934	0.96
99_A	170_R	0.932	0.96
247_A	250_R	0.930	0.96
24_L	249_A	0.930	0.96
53_G	153_D	0.929	0.96
28_A	38_R	0.929	0.96
22_M	92_S	0.928	0.96
120_A	225_A	0.924	0.96
77_Q	257_Y	0.920	0.96
17_P	72_D	0.913	0.96
85_H	178_H	0.912	0.96
187_A	191_L	0.908	0.96
261_A	264_R	0.905	0.96
51_S	92_S	0.896	0.95
22_M	90_D	0.892	0.95
188_E	191_L	0.886	0.95
131_T	150_P	0.884	0.95
190_H	208_V	0.881	0.95
17_P	258_A	0.877	0.95
229_A	233_W	0.874	0.95
225_A	228_R	0.870	0.94
66_A	71_I	0.868	0.94
229_A	232_E	0.864	0.94
155_V	160_G	0.864	0.94
29_A	171_R	0.862	0.94
65_A	192_S	0.860	0.94
46_T	90_D	0.860	0.94
94_S	177_Q	0.855	0.94
121_F	222_A	0.854	0.94
150_P	207_H	0.848	0.94
99_A	175_V	0.847	0.94
244_A	248_R	0.840	0.93
81_G	153_D	0.839	0.93
84_Y	193_V	0.834	0.93
16_R	87_A	0.827	0.93
59_D	202_A	0.825	0.93
249_A	252_L	0.818	0.92
183_F	219_R	0.813	0.92
83_I	92_S	0.813	0.92
36_G	39_T	0.811	0.92
187_A	190_H	0.810	0.92
222_A	226_V	0.810	0.92
110_Y	151_A	0.806	0.92
51_S	177_Q	0.803	0.92
183_F	217_V	0.794	0.91
166_N	178_H	0.794	0.91
118_F	154_I	0.776	0.90
63_W	264_R	0.773	0.90
121_F	163_I	0.772	0.90
48_D	189_R	0.771	0.90
28_A	96_V	0.768	0.90
59_D	198_D	0.767	0.90
44_T	223_V	0.763	0.90
81_G	180_S	0.762	0.89
79_G	165_G	0.757	0.89
187_A	210_T	0.756	0.89
189_R	193_V	0.755	0.89
246_L	250_R	0.753	0.89
94_S	167_A	0.746	0.88
159_P	214_Q	0.742	0.88
38_R	97_A	0.741	0.88
27_I	245_E	0.732	0.88
95_I	113_L	0.731	0.87
51_S	180_S	0.730	0.87
231_G	237_D	0.730	0.87
9_R	39_T	0.722	0.87
56_Q	60_S	0.720	0.87
97_A	175_V	0.709	0.86
241_W	245_E	0.706	0.86
153_D	177_Q	0.701	0.85
212_E	216_G	0.701	0.85
247_A	254_A	0.700	0.85
92_S	166_N	0.697	0.85
201_P	204_F	0.695	0.85
198_D	201_P	0.695	0.85
219_R	223_V	0.694	0.85
43_Y	85_H	0.693	0.85
94_S	178_H	0.691	0.84
199_T	202_A	0.689	0.84
182_S	185_L	0.685	0.84
191_L	204_F	0.685	0.84
170_R	175_V	0.683	0.84
83_I	180_S	0.682	0.84
68_D	247_A	0.678	0.83
241_W	246_L	0.678	0.83
257_Y	263_V	0.678	0.83
188_E	205_R	0.675	0.83
152_H	196_D	0.674	0.83
22_M	257_Y	0.672	0.83
217_V	225_A	0.672	0.83
94_S	176_I	0.670	0.82
49_T	72_D	0.669	0.82
82_G	204_F	0.665	0.82
231_G	236_A	0.663	0.82
163_I	209_T	0.663	0.82
220_A	237_D	0.661	0.82
198_D	202_A	0.659	0.81
150_P	153_D	0.658	0.81
50_L	234_A	0.655	0.81
50_L	61_V	0.654	0.81
164_S	182_S	0.653	0.81
24_L	241_W	0.647	0.80
43_Y	90_D	0.645	0.80
85_H	185_L	0.642	0.80
153_D	164_S	0.642	0.80
186_D	192_S	0.641	0.80
98_P	174_A	0.640	0.80
109_T	170_R	0.638	0.79
100_D	247_A	0.633	0.79
18_G	263_V	0.631	0.79
103_P	112_L	0.630	0.78
84_Y	189_R	0.628	0.78
29_A	176_I	0.627	0.78
156_A	159_P	0.627	0.78
32_A	35_G	0.624	0.78
50_L	84_Y	0.624	0.78
223_V	227_E	0.623	0.78
61_V	73_V	0.623	0.78
96_V	176_I	0.617	0.77
83_I	90_D	0.615	0.77
221_D	225_A	0.615	0.77
65_A	189_R	0.613	0.77
114_C	154_I	0.611	0.76
168_Q	175_V	0.611	0.76
21_Q	179_G	0.610	0.76
260_D	264_R	0.609	0.76
93_Y	177_Q	0.601	0.75
94_S	168_Q	0.599	0.75
28_A	89_A	0.599	0.75
58_T	260_D	0.597	0.75
116_P	229_A	0.597	0.75
52_M	73_V	0.595	0.74
89_A	185_L	0.594	0.74
46_T	92_S	0.593	0.74
154_I	164_S	0.592	0.74
163_I	230_L	0.586	0.73
200_T	204_F	0.583	0.73
203_A	206_E	0.578	0.72
201_P	207_H	0.578	0.72
67_A	260_D	0.577	0.72
41_R	94_S	0.575	0.72
60_S	182_S	0.575	0.72
221_D	224_T	0.574	0.72
56_Q	75_R	0.574	0.72
122_D	126_I	0.573	0.72
13_E	41_R	0.573	0.72
67_A	240_E	0.572	0.72
81_G	152_H	0.572	0.72
188_E	192_S	0.568	0.71
248_R	252_L	0.566	0.71
89_A	210_T	0.566	0.71
93_Y	150_P	0.565	0.71
183_F	212_E	0.565	0.71
153_D	208_V	0.565	0.71
31_T	36_G	0.564	0.71
110_Y	113_L	0.562	0.70
166_N	169_Y	0.561	0.70
39_T	239_G	0.557	0.70
13_E	241_W	0.556	0.69
62_D	68_D	0.556	0.69
228_R	231_G	0.555	0.69
19_P	263_V	0.554	0.69
12_R	238_E	0.551	0.69
20_M	250_R	0.550	0.69
153_D	199_T	0.546	0.68
235_D	250_R	0.545	0.68
186_D	210_T	0.544	0.68
198_D	203_A	0.543	0.68
123_R	221_D	0.543	0.68
44_T	87_A	0.542	0.67
25_D	51_S	0.540	0.67
100_D	173_D	0.540	0.67
43_Y	183_F	0.540	0.67
49_T	85_H	0.538	0.67
245_E	249_A	0.538	0.67
187_A	213_A	0.536	0.67
85_H	179_G	0.536	0.67
42_V	93_Y	0.535	0.66
77_Q	176_I	0.535	0.66
220_A	223_V	0.533	0.66
29_A	169_Y	0.531	0.66
51_S	194_F	0.529	0.66
25_D	85_H	0.529	0.66
18_G	51_S	0.528	0.65
180_S	208_V	0.527	0.65
25_D	78_T	0.524	0.65
129_R	160_G	0.522	0.65
215_A	221_D	0.521	0.64
77_Q	82_G	0.517	0.64
67_A	238_E	0.513	0.63
55_R	169_Y	0.513	0.63
81_G	208_V	0.513	0.63
22_M	49_T	0.510	0.63
227_E	238_E	0.510	0.63
122_D	128_A	0.510	0.63
43_Y	92_S	0.509	0.63
156_A	209_T	0.505	0.62
199_T	207_H	0.505	0.62
90_D	179_G	0.505	0.62
117_V	226_V	0.502	0.62
29_A	174_A	0.502	0.62
25_D	92_S	0.502	0.62
192_S	232_E	0.502	0.62
82_G	121_F	0.502	0.62
118_F	121_F	0.500	0.61

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
3a7rA	1	0.875	100	0.274	Contact Map
2c8mA	1	0.8787	100	0.289	Contact Map
2e5aA	1	0.8676	100	0.296	Contact Map
1vqzA	1	0.8824	100	0.336	Contact Map
2p0lA	1	0.8934	100	0.38	Contact Map
2p5iA	1	0.8824	100	0.395	Contact Map
2qhsA	1	0.75	100	0.495	Contact Map
1w66A	1	0.7574	100	0.515	Contact Map
2dxuA	2	0.6875	97.5	0.893	Contact Map
3bfmA	2	0.6801	96.7	0.905	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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