Q9HHS2 - HALSA - GREMLIN Contacts

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Q9HHS2 - Lipoate protein ligase

UniProt:	Q9HHS2	Sequences: MYVEPGAVLTYSLYLPPEDVPDDVADSYVYLDQWAIDALQAVGIDASYEPLNDIVHADGKLGGAAQLRTDGAVLHHTTMSYDLDIERMLRVLRIGEEKLSDKAVASAEKRVAVMTDHTDASRATIVDALVAAIGDTFETRRGSLSAATREAARTLAAEQFDTAAWTRKL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	169 (159)
Sequences:	1959 (1327)
Seq/√Len:	105.3

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
154_T	158_E	3.985	1.00
82_D	115_T	3.974	1.00
112_A	117_H	3.454	1.00
4_E	10_T	3.007	1.00
40_Q	45_D	2.996	1.00
33_Q	37_D	2.823	1.00
121_S	124_T	2.608	1.00
41_A	132_A	2.525	1.00
151_A	154_T	2.469	1.00
145_S	148_T	2.450	1.00
156_A	161_D	2.305	1.00
41_A	135_D	2.268	1.00
37_D	135_D	2.223	1.00
45_D	57_A	2.154	1.00
42_V	128_A	2.049	1.00
96_E	100_S	1.984	1.00
65_A	76_H	1.975	1.00
9_L	122_R	1.923	1.00
155_L	160_F	1.876	1.00
59_G	112_A	1.863	1.00
84_D	87_R	1.790	1.00
52_N	98_K	1.718	1.00
98_K	110_R	1.699	1.00
49_E	55_V	1.684	1.00
54_I	61_L	1.673	1.00
142_G	148_T	1.657	1.00
112_A	116_D	1.577	1.00
2_Y	78_T	1.563	1.00
46_A	56_H	1.558	1.00
61_L	112_A	1.549	1.00
52_N	110_R	1.540	1.00
80_S	83_L	1.522	1.00
8_V	78_T	1.510	1.00
11_Y	77_T	1.505	1.00
155_L	159_Q	1.479	1.00
62_G	78_T	1.462	1.00
12_S	75_H	1.442	1.00
148_T	151_A	1.441	1.00
99_L	103_A	1.426	1.00
144_L	152_A	1.421	1.00
36_I	46_A	1.417	1.00
29_V	33_Q	1.396	1.00
127_D	131_A	1.384	1.00
12_S	76_H	1.380	1.00
81_Y	125_I	1.357	1.00
38_A	132_A	1.315	0.99
64_A	77_T	1.308	0.99
147_A	150_E	1.292	0.99
17_P	71_G	1.288	0.99
81_Y	120_A	1.288	0.99
2_Y	8_V	1.282	0.99
37_D	132_A	1.268	0.99
66_Q	75_H	1.232	0.99
37_D	40_Q	1.229	0.99
4_E	8_V	1.226	0.99
134_G	139_T	1.225	0.99
50_P	98_K	1.223	0.99
87_R	91_V	1.222	0.99
31_L	34_W	1.217	0.99
55_V	58_D	1.216	0.99
56_H	117_H	1.198	0.99
4_E	83_L	1.196	0.99
50_P	110_R	1.191	0.99
9_L	126_V	1.188	0.99
64_A	67_L	1.185	0.99
99_L	104_V	1.161	0.98
5_P	8_V	1.148	0.98
163_A	166_T	1.132	0.98
88_M	111_V	1.130	0.98
36_I	54_I	1.123	0.98
149_R	153_R	1.121	0.98
57_A	117_H	1.106	0.98
2_Y	5_P	1.071	0.97
17_P	73_V	1.062	0.97
118_T	124_T	1.055	0.97
59_G	116_D	1.044	0.97
125_I	129_L	1.038	0.97
85_I	89_L	1.034	0.97
120_A	128_A	1.028	0.97
98_K	102_K	1.027	0.97
38_A	128_A	1.015	0.96
3_V	8_V	1.012	0.96
130_V	134_G	1.007	0.96
47_S	58_D	0.988	0.96
12_S	65_A	0.976	0.95
9_L	125_I	0.975	0.95
150_E	154_T	0.957	0.95
90_R	93_R	0.944	0.95
123_A	127_D	0.936	0.94
128_A	131_A	0.930	0.94
40_Q	44_I	0.928	0.94
124_T	127_D	0.920	0.94
56_H	114_M	0.918	0.94
17_P	68_R	0.917	0.94
87_R	90_R	0.913	0.94
46_A	54_I	0.911	0.94
122_R	126_V	0.911	0.94
144_L	149_R	0.911	0.94
2_Y	10_T	0.905	0.93
12_S	74_L	0.896	0.93
2_Y	7_A	0.896	0.93
153_R	156_A	0.882	0.92
28_Y	31_L	0.879	0.92
32_D	48_Y	0.878	0.92
52_N	102_K	0.876	0.92
28_Y	160_F	0.874	0.92
41_A	131_A	0.873	0.92
56_H	61_L	0.871	0.92
61_L	80_S	0.865	0.92
68_R	73_V	0.862	0.91
150_E	153_R	0.857	0.91
114_M	125_I	0.848	0.91
32_D	66_Q	0.830	0.90
85_I	88_M	0.825	0.90
67_L	74_L	0.822	0.89
40_Q	46_A	0.812	0.89
81_Y	122_R	0.812	0.89
14_Y	74_L	0.810	0.89
37_D	136_T	0.808	0.89
11_Y	50_P	0.798	0.88
64_A	76_H	0.791	0.88
142_G	145_S	0.790	0.88
64_A	75_H	0.787	0.87
127_D	140_R	0.783	0.87
62_G	77_T	0.777	0.87
80_S	113_V	0.774	0.86
7_A	83_L	0.772	0.86
146_A	150_E	0.771	0.86
15_L	73_V	0.755	0.85
131_A	135_D	0.753	0.85
106_S	109_K	0.750	0.85
94_I	107_A	0.750	0.85
31_L	125_I	0.734	0.83
7_A	113_V	0.733	0.83
13_L	31_L	0.729	0.83
28_Y	51_L	0.729	0.83
86_E	89_L	0.727	0.83
32_D	54_I	0.714	0.82
151_A	155_L	0.714	0.82
45_D	117_H	0.711	0.81
32_D	64_A	0.709	0.81
160_F	166_T	0.705	0.81
142_G	152_A	0.704	0.81
5_P	80_S	0.701	0.80
131_A	134_G	0.688	0.79
61_L	114_M	0.682	0.79
131_A	138_E	0.682	0.79
48_Y	81_Y	0.677	0.78
94_I	98_K	0.674	0.78
118_T	154_T	0.672	0.78
124_T	128_A	0.669	0.77
66_Q	73_V	0.665	0.77
31_L	73_V	0.662	0.77
38_A	129_L	0.659	0.76
11_Y	75_H	0.656	0.76
39_L	61_L	0.649	0.75
104_V	110_R	0.647	0.75
90_R	140_R	0.647	0.75
44_I	117_H	0.638	0.74
103_A	110_R	0.636	0.74
134_G	141_R	0.635	0.74
12_S	68_R	0.628	0.73
11_Y	64_A	0.628	0.73
62_G	80_S	0.627	0.73
163_A	167_R	0.627	0.73
46_A	61_L	0.626	0.73
132_A	135_D	0.618	0.72
4_E	7_A	0.616	0.71
31_L	91_V	0.612	0.71
7_A	80_S	0.610	0.71
12_S	66_Q	0.605	0.70
144_L	148_T	0.599	0.69
56_H	112_A	0.597	0.69
53_D	98_K	0.596	0.69
86_E	108_E	0.596	0.69
51_L	92_L	0.593	0.68
147_A	164_A	0.593	0.68
123_A	126_V	0.591	0.68
95_G	99_L	0.590	0.68
2_Y	83_L	0.590	0.68
115_T	119_D	0.590	0.68
41_A	158_E	0.588	0.68
81_Y	115_T	0.585	0.67
67_L	75_H	0.584	0.67
97_E	100_S	0.583	0.67
49_E	109_K	0.583	0.67
52_N	94_I	0.581	0.67
86_E	90_R	0.581	0.67
27_S	30_Y	0.573	0.66
4_E	76_H	0.570	0.65
31_L	66_Q	0.569	0.65
152_A	155_L	0.567	0.65
28_Y	91_V	0.565	0.65
124_T	135_D	0.565	0.65
92_L	106_S	0.563	0.64
10_T	74_L	0.563	0.64
162_T	166_T	0.562	0.64
85_I	108_E	0.562	0.64
74_L	166_T	0.558	0.64
5_P	62_G	0.557	0.64
42_V	114_M	0.553	0.63
51_L	109_K	0.551	0.63
8_V	77_T	0.551	0.63
29_V	48_Y	0.548	0.62
54_I	118_T	0.544	0.62
138_E	153_R	0.542	0.62
146_A	149_R	0.542	0.62
147_A	151_A	0.540	0.61
2_Y	80_S	0.538	0.61
72_A	114_M	0.535	0.61
54_I	85_I	0.535	0.61
26_D	66_Q	0.534	0.60
41_A	142_G	0.531	0.60
18_E	150_E	0.531	0.60
132_A	136_T	0.530	0.60
9_L	129_L	0.529	0.60
13_L	55_V	0.529	0.60
51_L	106_S	0.528	0.60
9_L	79_M	0.527	0.59
34_W	66_Q	0.526	0.59
40_Q	129_L	0.525	0.59
47_S	55_V	0.524	0.59
78_T	106_S	0.523	0.59
53_D	102_K	0.516	0.58
131_A	143_S	0.515	0.58
40_Q	47_S	0.515	0.58
98_K	101_D	0.513	0.57
112_A	115_T	0.508	0.57
51_L	107_A	0.508	0.57
84_D	90_R	0.508	0.57
29_V	47_S	0.507	0.57
80_S	88_M	0.507	0.57
17_P	88_M	0.507	0.57
113_V	117_H	0.504	0.56
145_S	154_T	0.503	0.56
92_L	110_R	0.503	0.56
36_I	39_L	0.502	0.56
101_D	105_A	0.500	0.56

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	0.9645	100	0.293	Contact Map
2e5aA	1	0.9586	100	0.31	Contact Map
2c8mA	1	0.9172	100	0.315	Contact Map
1vqzA	1	0.9822	100	0.348	Contact Map
2p0lA	1	0.9231	100	0.486	Contact Map
2p5iA	1	0.9527	100	0.491	Contact Map
2qhsA	1	0.7751	99.9	0.574	Contact Map
1w66A	1	0.7811	99.9	0.602	Contact Map
2dxuA	2	0.8107	97.2	0.863	Contact Map
3bfmA	2	0.8698	95.6	0.885	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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