Q9HS32 - HALSA - GREMLIN Contacts

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Q9HS32 - Enoyl-CoA hydratase

UniProt:	Q9HS32	Sequences: MSDTVALAVDDGVATITISRPDSLNALNVATLHALRDTLDTAESEGARAVVLTSAGDDAFIAGADISYMVEMDTAEAQAYAELGHSVADAIESFPAPVVAAIDGYAFGGGMELALACDLRVASEDAILGQTEIDIGIIPGWGGTQRLPRIVGDETARRMIYFGDRLSAADASEHGLVGEVVPAAEIDDHVASLARDLAAQPAAAMRAAKDAINTSHETTLSAGLEFEARTWAGLFGSHDQQEGMQAFLEDRDPDFE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	256 (246)
Sequences:	30360 (19810)
Seq/√Len:	1263.0

ECOLI - PAAG CAID MENB SCPB PAAF FADB FADJ
BACSU - YNGF MENB YHAR FADB PKSH PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61 Q9HNM6
SULSO - Q97YL2 Q97WU7 Q7LXQ1 Q97VK0 Q97VK1 Q97VU5 Q97VS6 Q980Z9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
124_E	182_P	3.160	1.00
127_I	165_R	3.125	1.00
179_E	189_H	3.064	1.00
122_A	177_V	2.884	1.00
189_H	192_S	2.759	1.00
100_A	117_C	2.736	1.00
15_T	191_A	2.583	1.00
43_E	95_P	2.469	1.00
40_D	90_A	2.413	1.00
6_A	19_S	2.321	1.00
24_L	58_D	2.275	1.00
164_D	196_D	2.273	1.00
125_D	183_A	2.222	1.00
219_T	222_A	2.209	1.00
170_D	173_E	2.189	1.00
158_R	164_D	2.143	1.00
167_S	170_D	2.135	1.00
9_V	14_A	2.134	1.00
155_T	174_H	2.045	1.00
134_D	200_Q	2.010	1.00
9_V	45_E	2.004	1.00
160_I	208_A	1.988	1.00
15_T	53_T	1.979	1.00
124_E	169_A	1.970	1.00
24_L	59_A	1.925	1.00
242_E	251_R	1.913	1.00
107_F	129_G	1.885	1.00
185_E	188_D	1.885	1.00
7_L	14_A	1.864	1.00
101_A	190_V	1.851	1.00
12_G	48_R	1.844	1.00
36_R	90_A	1.827	1.00
30_A	34_A	1.810	1.00
19_S	55_A	1.801	1.00
101_A	187_D	1.795	1.00
17_T	55_A	1.787	1.00
121_V	181_V	1.778	1.00
245_Q	249_E	1.760	1.00
158_R	178_G	1.740	1.00
157_R	213_N	1.732	1.00
14_A	42_A	1.731	1.00
17_T	53_T	1.712	1.00
118_D	209_K	1.701	1.00
41_T	45_E	1.686	1.00
124_E	183_A	1.685	1.00
50_V	94_F	1.642	1.00
170_D	174_H	1.610	1.00
191_A	195_R	1.603	1.00
153_D	157_R	1.555	1.00
14_A	47_A	1.538	1.00
169_A	173_E	1.538	1.00
121_V	193_L	1.530	1.00
33_H	83_L	1.517	1.00
123_S	183_A	1.505	1.00
158_R	179_E	1.499	1.00
42_A	50_V	1.498	1.00
122_A	128_L	1.489	1.00
185_E	189_H	1.487	1.00
120_R	150_I	1.476	1.00
43_E	90_A	1.476	1.00
181_V	189_H	1.452	1.00
120_R	154_E	1.450	1.00
11_D	195_R	1.436	1.00
114_A	120_R	1.434	1.00
7_L	42_A	1.429	1.00
157_R	212_I	1.419	1.00
53_T	103_D	1.407	1.00
16_I	38_T	1.406	1.00
10_D	191_A	1.394	1.00
172_S	180_V	1.385	1.00
49_A	194_A	1.385	1.00
157_R	161_Y	1.384	1.00
89_D	221_S	1.380	1.00
103_D	125_D	1.350	1.00
92_E	146_R	1.348	1.00
89_D	93_S	1.346	1.00
102_I	114_A	1.345	1.00
6_A	55_A	1.332	1.00
164_D	170_D	1.326	1.00
103_D	123_S	1.326	1.00
10_D	195_R	1.322	1.00
39_L	94_F	1.316	1.00
91_I	98_V	1.314	1.00
111_M	130_Q	1.306	1.00
207_A	233_G	1.304	1.00
58_D	103_D	1.301	1.00
102_I	106_A	1.296	1.00
29_V	68_Y	1.288	1.00
155_T	158_R	1.286	1.00
159_M	166_L	1.283	1.00
36_R	40_D	1.270	1.00
10_D	15_T	1.249	1.00
73_D	76_E	1.235	1.00
28_N	31_T	1.225	1.00
129_G	165_R	1.216	1.00
18_I	31_T	1.208	1.00
133_I	163_G	1.206	1.00
20_R	23_S	1.203	1.00
210_D	214_T	1.200	1.00
186_I	190_V	1.198	1.00
43_E	94_F	1.182	1.00
15_T	187_D	1.180	1.00
36_R	86_S	1.180	1.00
240_Q	244_M	1.173	1.00
105_Y	127_I	1.169	1.00
53_T	187_D	1.164	1.00
187_D	191_A	1.162	1.00
154_E	178_G	1.158	1.00
155_T	170_D	1.154	1.00
34_A	38_T	1.142	1.00
218_T	222_A	1.139	1.00
123_S	186_I	1.136	1.00
23_S	67_S	1.134	1.00
59_A	105_Y	1.126	1.00
200_Q	205_M	1.120	1.00
8_A	17_T	1.109	1.00
9_V	41_T	1.093	1.00
152_G	155_T	1.093	1.00
187_D	190_V	1.089	1.00
168_A	180_V	1.083	1.00
18_I	61_I	1.081	1.00
218_T	226_F	1.080	1.00
166_L	174_H	1.078	1.00
203_A	239_D	1.070	1.00
61_I	110_G	1.058	1.00
9_V	46_G	1.056	1.00
8_A	15_T	1.048	1.00
50_V	96_A	1.029	1.00
84_G	141_W	1.025	1.00
93_S	221_S	1.025	1.00
214_T	226_F	1.021	1.00
182_P	185_E	1.010	1.00
119_L	193_L	1.008	1.00
34_A	37_D	1.008	1.00
6_A	17_T	1.000	1.00
98_V	117_C	0.992	1.00
29_V	33_H	0.992	1.00
20_R	65_D	0.989	1.00
37_D	41_T	0.986	1.00
47_A	96_A	0.974	1.00
112_E	143_G	0.960	1.00
194_A	198_A	0.959	1.00
151_V	155_T	0.956	1.00
150_I	154_E	0.948	1.00
172_S	177_V	0.943	1.00
56_G	103_D	0.942	1.00
51_V	190_V	0.939	1.00
95_P	206_R	0.927	1.00
124_E	180_V	0.924	1.00
15_T	51_V	0.919	1.00
188_D	192_S	0.911	1.00
202_A	206_R	0.903	1.00
53_T	101_A	0.902	1.00
169_A	172_S	0.901	1.00
38_T	41_T	0.900	1.00
144_T	227_E	0.898	1.00
111_M	128_L	0.893	1.00
50_V	98_V	0.889	1.00
127_I	167_S	0.885	1.00
133_I	208_A	0.885	1.00
103_D	186_I	0.885	1.00
210_D	230_T	0.884	1.00
222_A	225_E	0.880	1.00
13_V	49_A	0.871	1.00
241_Q	245_Q	0.869	1.00
145_Q	223_G	0.868	1.00
102_I	128_L	0.862	1.00
102_I	120_R	0.861	1.00
24_L	62_A	0.848	1.00
119_L	178_G	0.846	1.00
207_A	230_T	0.837	1.00
32_L	87_V	0.836	1.00
9_V	47_A	0.836	1.00
138_I	234_L	0.834	1.00
39_L	91_I	0.829	1.00
207_A	210_D	0.829	1.00
191_A	194_A	0.824	1.00
78_Q	82_E	0.823	1.00
101_A	186_I	0.816	1.00
123_S	184_A	0.816	1.00
36_R	83_L	0.804	1.00
153_D	216_H	0.803	1.00
147_L	151_V	0.800	1.00
112_E	132_E	0.800	1.00
151_V	159_M	0.795	1.00
207_A	234_L	0.795	1.00
226_F	229_R	0.789	1.00
43_E	96_A	0.785	1.00
159_M	174_H	0.782	1.00
189_H	193_L	0.780	1.00
40_D	44_S	0.780	1.00
172_S	179_E	0.775	1.00
160_I	212_I	0.774	1.00
67_S	248_L	0.773	1.00
190_V	194_A	0.773	1.00
211_A	230_T	0.769	1.00
40_D	86_S	0.768	1.00
158_R	162_F	0.768	1.00
108_G	131_T	0.767	1.00
192_S	196_D	0.763	1.00
107_F	165_R	0.762	1.00
52_L	117_C	0.762	1.00
16_I	50_V	0.756	1.00
33_H	37_D	0.749	1.00
42_A	47_A	0.745	1.00
220_L	224_L	0.740	1.00
29_V	83_L	0.740	1.00
168_A	177_V	0.737	1.00
27_L	31_T	0.736	1.00
197_L	205_M	0.734	1.00
36_R	87_V	0.732	1.00
134_D	165_R	0.731	1.00
179_E	193_L	0.731	1.00
238_H	241_Q	0.728	1.00
59_A	103_D	0.727	1.00
152_G	156_A	0.726	1.00
48_R	202_A	0.725	1.00
28_N	68_Y	0.723	1.00
244_M	248_L	0.723	1.00
95_P	210_D	0.721	1.00
188_D	191_A	0.721	1.00
171_A	176_L	0.719	1.00
20_R	28_N	0.717	1.00
94_F	98_V	0.714	1.00
145_Q	148_P	0.714	1.00
196_D	200_Q	0.706	1.00
125_D	168_A	0.704	1.00
7_L	38_T	0.703	1.00
115_L	176_L	0.703	1.00
45_E	96_A	0.702	1.00
226_F	230_T	0.701	1.00
181_V	186_I	0.699	1.00
7_L	41_T	0.699	1.00
230_T	233_G	0.697	1.00
132_E	140_G	0.695	1.00
201_P	239_D	0.694	1.00
88_A	116_A	0.688	1.00
192_S	195_R	0.686	1.00
20_R	26_A	0.684	1.00
102_I	126_A	0.684	1.00
225_E	229_R	0.680	1.00
203_A	237_S	0.680	1.00
51_V	191_A	0.676	1.00
162_F	193_L	0.671	1.00
214_T	218_T	0.671	1.00
177_V	180_V	0.669	1.00
82_E	86_S	0.665	1.00
24_L	105_Y	0.661	1.00
52_L	98_V	0.660	1.00
75_A	79_A	0.660	1.00
228_A	232_A	0.660	1.00
121_V	179_E	0.659	1.00
121_V	190_V	0.659	1.00
103_D	183_A	0.657	1.00
132_E	139_P	0.655	1.00
128_L	177_V	0.652	1.00
74_T	233_G	0.651	1.00
94_F	97_P	0.651	1.00
42_A	96_A	0.649	1.00
13_V	51_V	0.649	1.00
78_Q	229_R	0.647	1.00
12_G	46_G	0.644	1.00
121_V	186_I	0.641	1.00
82_E	228_A	0.638	1.00
99_V	194_A	0.637	1.00
107_F	131_T	0.635	1.00
7_L	16_I	0.635	1.00
153_D	213_N	0.632	1.00
229_R	233_G	0.631	1.00
51_V	101_A	0.629	1.00
9_V	12_G	0.629	1.00
132_E	231_W	0.629	1.00
112_E	140_G	0.628	1.00
138_I	211_A	0.627	1.00
195_R	199_A	0.624	1.00
242_E	249_E	0.624	1.00
30_A	33_H	0.623	1.00
49_A	99_V	0.619	1.00
38_T	42_A	0.618	1.00
35_L	87_V	0.618	1.00
211_A	226_F	0.617	1.00
153_D	212_I	0.615	1.00
193_L	196_D	0.615	1.00
169_A	180_V	0.612	1.00
243_G	246_A	0.609	1.00
31_T	34_A	0.609	1.00
100_A	120_R	0.607	1.00
122_A	126_A	0.605	1.00
139_P	208_A	0.602	1.00
129_G	163_G	0.600	1.00
155_T	172_S	0.600	1.00
37_D	40_D	0.599	1.00
70_V	245_Q	0.598	1.00
239_D	243_G	0.598	1.00
121_V	189_H	0.595	1.00
23_S	65_D	0.592	1.00
13_V	194_A	0.592	1.00
40_D	43_E	0.592	1.00
161_Y	205_M	0.587	1.00
112_E	142_G	0.585	1.00
242_E	246_A	0.582	1.00
138_I	208_A	0.580	1.00
49_A	198_A	0.580	1.00
64_A	69_M	0.579	1.00
13_V	191_A	0.578	1.00
242_E	245_Q	0.576	1.00
221_S	225_E	0.574	1.00
158_R	170_D	0.574	1.00
166_L	171_A	0.574	1.00
74_T	78_Q	0.572	1.00
16_I	52_L	0.570	1.00
103_D	126_A	0.570	1.00
167_S	173_E	0.570	1.00
86_S	89_D	0.568	1.00
245_Q	248_L	0.568	1.00
105_Y	165_R	0.564	1.00
130_Q	160_I	0.564	1.00
16_I	39_L	0.561	1.00
157_R	209_K	0.560	1.00
168_A	172_S	0.559	1.00
151_V	156_A	0.558	1.00
133_I	200_Q	0.558	1.00
162_F	197_L	0.558	1.00
208_A	211_A	0.558	1.00
238_H	242_E	0.556	1.00
150_I	178_G	0.555	1.00
39_L	90_A	0.554	1.00
78_Q	232_A	0.553	1.00
48_R	198_A	0.553	1.00
30_A	68_Y	0.545	1.00
137_I	240_Q	0.545	1.00
151_V	174_H	0.541	1.00
144_T	223_G	0.540	1.00
203_A	234_L	0.540	1.00
114_A	117_C	0.539	1.00
79_A	83_L	0.539	1.00
51_V	187_D	0.537	1.00
123_S	126_A	0.537	1.00
47_A	50_V	0.535	1.00
162_F	196_D	0.534	1.00
148_P	151_V	0.533	1.00
130_Q	143_G	0.533	1.00
112_E	130_Q	0.533	1.00
185_E	192_S	0.530	1.00
119_L	197_L	0.529	1.00
5_V	38_T	0.529	1.00
116_A	146_R	0.528	1.00
133_I	205_M	0.528	1.00
164_D	179_E	0.528	1.00
28_N	65_D	0.524	1.00
155_T	173_E	0.523	1.00
108_G	130_Q	0.523	1.00
111_M	176_L	0.522	1.00
112_E	146_R	0.522	1.00
145_Q	149_R	0.519	1.00
66_I	135_I	0.517	1.00
64_A	109_G	0.517	1.00
111_M	115_L	0.513	1.00
39_L	98_V	0.511	1.00
39_L	50_V	0.509	1.00
101_A	194_A	0.509	1.00
32_L	36_R	0.507	1.00
56_G	59_A	0.503	1.00
148_P	215_S	0.502	1.00
86_S	90_A	0.501	1.00
130_Q	147_L	0.500	1.00
139_P	160_I	0.500	1.00
158_R	193_L	0.500	1.00
41_T	44_S	0.500	1.00

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
4jfcA	3	0.9883	100	0.045	Contact Map
3kqfA	3	0.9922	100	0.05	Contact Map
3hinA	5	0.9883	100	0.05	Contact Map
2fbmA	3	0.9609	100	0.051	Contact Map
1nzyA	4	0.9961	100	0.051	Contact Map
3qxzA	3	0.9922	100	0.052	Contact Map
2ej5A	3	0.9688	100	0.053	Contact Map
3sllA	6	0.9805	100	0.056	Contact Map
4lk5A	3	0.9648	100	0.057	Contact Map
3g64A	6	0.9961	100	0.058	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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