Q980Z9 - SULSO - GREMLIN Contacts

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Q980Z9 - Enoyl CoA hydratase (PaaF-1)

UniProt:	Q980Z9	Sequences: MPIEVYEYDKYILLKFYQADNRYNLFNVEFMTQMIDVLSAINENKGKRFLVIRGEDNFGAGADIRELIKASNDSEFAVTFFTYMREVFHKMLDLNKIVISQVKKIAYGASMELLLFSDYVISEKKAMFATPGVKIGVFPPVLSSVGHFILGYNNVKRIAMKGDVIDTNEAKSIGLVHIIDDDLDKATLDLIEELSTLAPSATLYIKRNMLRTFRNYIDKAFDDLIVQIQSEEAREGLLSFLNKTNPPWI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	249 (236)
Sequences:	30239 (19809)
Seq/√Len:	1289.4

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
127_M	164_V	3.244	1.00
122_S	176_V	3.079	1.00
100_S	117_S	2.818	1.00
186_A	189_D	2.755	1.00
13_L	188_L	2.708	1.00
42_N	95_N	2.581	1.00
39_S	90_K	2.551	1.00
23_Y	57_N	2.505	1.00
125_K	180_D	2.493	1.00
163_D	193_E	2.432	1.00
169_E	172_S	2.275	1.00
166_D	169_E	2.241	1.00
157_R	163_D	2.188	1.00
154_N	173_I	2.167	1.00
216_Y	219_K	2.130	1.00
134_K	197_L	2.111	1.00
124_K	168_N	2.064	1.00
13_L	53_R	2.037	1.00
182_D	185_K	1.994	1.00
7_E	12_I	1.977	1.00
107_Y	129_A	1.965	1.00
101_Q	187_T	1.963	1.00
235_E	244_T	1.957	1.00
124_K	180_D	1.954	1.00
10_K	48_R	1.933	1.00
157_R	177_H	1.912	1.00
29_E	33_Q	1.907	1.00
35_I	90_K	1.898	1.00
121_I	179_I	1.882	1.00
7_E	44_N	1.878	1.00
101_Q	184_D	1.872	1.00
159_A	205_I	1.867	1.00
15_K	55_E	1.864	1.00
238_L	242_N	1.797	1.00
15_K	53_R	1.768	1.00
156_K	210_L	1.767	1.00
12_I	41_I	1.759	1.00
18_Q	55_E	1.750	1.00
169_E	173_I	1.713	1.00
50_L	94_L	1.707	1.00
188_L	192_E	1.682	1.00
32_T	83_Y	1.658	1.00
121_I	190_L	1.626	1.00
120_V	149_I	1.615	1.00
152_Y	156_K	1.592	1.00
41_I	50_L	1.586	1.00
42_N	90_K	1.586	1.00
168_N	172_S	1.577	1.00
40_A	44_N	1.572	1.00
122_S	128_F	1.561	1.00
12_I	47_K	1.551	1.00
53_R	103_K	1.538	1.00
9_D	192_E	1.533	1.00
179_I	186_A	1.533	1.00
123_E	180_D	1.530	1.00
182_D	186_A	1.520	1.00
49_F	191_I	1.517	1.00
118_D	206_K	1.505	1.00
114_L	120_V	1.503	1.00
14_L	37_V	1.472	1.00
156_K	209_M	1.461	1.00
8_Y	188_L	1.459	1.00
156_K	160_M	1.456	1.00
120_V	153_N	1.455	1.00
57_N	103_K	1.453	1.00
103_K	125_K	1.414	1.00
8_Y	192_E	1.407	1.00
91_M	98_V	1.399	1.00
102_V	106_A	1.384	1.00
102_V	114_L	1.376	1.00
171_K	178_I	1.373	1.00
103_K	123_E	1.365	1.00
163_D	169_E	1.357	1.00
38_L	94_L	1.352	1.00
73_D	76_F	1.348	1.00
19_A	22_R	1.343	1.00
111_M	130_T	1.331	1.00
89_H	93_D	1.330	1.00
158_I	165_I	1.317	1.00
28_V	66_E	1.314	1.00
8_Y	13_L	1.307	1.00
27_N	30_F	1.307	1.00
183_L	187_T	1.287	1.00
133_V	162_G	1.283	1.00
154_N	157_R	1.283	1.00
35_I	39_S	1.277	1.00
207_R	211_R	1.270	1.00
129_A	164_V	1.266	1.00
89_H	218_D	1.235	1.00
16_F	30_F	1.227	1.00
53_R	184_D	1.220	1.00
35_I	86_E	1.218	1.00
154_N	169_E	1.216	1.00
42_N	94_L	1.215	1.00
153_N	177_H	1.211	1.00
215_N	219_K	1.205	1.00
105_I	127_M	1.205	1.00
33_Q	37_V	1.201	1.00
13_L	184_D	1.192	1.00
233_A	237_L	1.187	1.00
151_G	154_N	1.180	1.00
123_E	183_L	1.173	1.00
184_D	188_L	1.167	1.00
167_T	178_I	1.153	1.00
16_F	59_G	1.133	1.00
197_L	202_T	1.125	1.00
184_D	187_T	1.124	1.00
59_G	110_S	1.122	1.00
165_I	173_I	1.113	1.00
22_R	65_R	1.109	1.00
204_Y	226_V	1.095	1.00
84_M	141_V	1.077	1.00
112_E	143_S	1.062	1.00
119_Y	190_L	1.059	1.00
36_D	40_A	1.059	1.00
50_L	96_K	1.057	1.00
33_Q	36_D	1.054	1.00
191_I	195_S	1.053	1.00
200_S	232_E	1.043	1.00
28_V	32_T	1.041	1.00
7_E	40_A	1.015	1.00
98_V	117_S	1.015	1.00
171_K	176_V	1.004	1.00
19_A	63_D	1.004	1.00
56_D	103_K	1.001	1.00
103_K	183_L	0.986	1.00
45_K	96_K	0.983	1.00
51_V	187_T	0.980	1.00
6_Y	15_K	0.979	1.00
216_Y	220_A	0.979	1.00
13_L	51_V	0.967	1.00
149_I	153_N	0.958	1.00
7_E	46_G	0.953	1.00
111_M	128_F	0.947	1.00
6_Y	13_L	0.945	1.00
47_K	96_K	0.942	1.00
95_N	203_L	0.939	1.00
23_Y	60_A	0.928	1.00
127_M	166_D	0.927	1.00
102_V	128_F	0.925	1.00
199_P	203_L	0.923	1.00
150_L	154_N	0.918	1.00
50_L	98_V	0.914	1.00
53_R	101_Q	0.913	1.00
119_Y	177_H	0.912	1.00
37_V	40_A	0.907	1.00
219_K	222_D	0.906	1.00
168_N	171_K	0.906	1.00
185_K	189_D	0.899	1.00
11_Y	49_F	0.896	1.00
112_E	132_G	0.894	1.00
124_K	178_I	0.894	1.00
31_M	87_V	0.887	1.00
234_R	238_L	0.882	1.00
133_V	205_I	0.877	1.00
146_G	150_L	0.869	1.00
186_A	190_L	0.869	1.00
215_N	220_A	0.858	1.00
102_V	120_V	0.853	1.00
138_F	227_Q	0.846	1.00
188_L	191_I	0.835	1.00
38_L	91_M	0.834	1.00
151_G	155_V	0.830	1.00
123_E	181_D	0.829	1.00
93_D	218_D	0.821	1.00
189_D	193_E	0.819	1.00
65_R	241_L	0.812	1.00
41_I	47_K	0.810	1.00
108_G	131_P	0.807	1.00
39_S	86_E	0.806	1.00
158_I	173_I	0.806	1.00
78_V	82_T	0.805	1.00
150_L	158_I	0.803	1.00
14_L	50_L	0.799	1.00
23_Y	105_I	0.790	1.00
28_V	83_Y	0.789	1.00
194_L	202_T	0.789	1.00
167_T	176_V	0.788	1.00
187_T	191_I	0.786	1.00
52_I	117_S	0.785	1.00
101_Q	183_L	0.782	1.00
39_S	43_E	0.781	1.00
207_R	223_D	0.778	1.00
42_N	96_K	0.776	1.00
204_Y	223_D	0.776	1.00
134_K	164_V	0.776	1.00
32_T	36_D	0.775	1.00
7_E	47_K	0.773	1.00
132_G	140_P	0.773	1.00
204_Y	207_R	0.769	1.00
88_F	116_F	0.767	1.00
35_I	87_V	0.764	1.00
218_D	222_D	0.764	1.00
35_I	83_Y	0.762	1.00
107_Y	164_V	0.761	1.00
170_A	175_L	0.757	1.00
103_K	180_D	0.756	1.00
102_V	126_A	0.754	1.00
198_A	232_E	0.751	1.00
132_G	139_P	0.747	1.00
27_N	66_E	0.744	1.00
26_F	30_F	0.743	1.00
112_E	140_P	0.738	1.00
75_E	79_T	0.736	1.00
217_I	221_F	0.736	1.00
189_D	192_E	0.736	1.00
48_R	199_P	0.734	1.00
95_N	207_R	0.732	1.00
193_E	197_L	0.731	1.00
223_D	226_V	0.731	1.00
231_E	234_R	0.726	1.00
237_L	241_L	0.725	1.00
185_K	188_L	0.724	1.00
19_A	25_L	0.722	1.00
115_L	175_L	0.721	1.00
94_L	98_V	0.719	1.00
179_I	183_L	0.718	1.00
19_A	27_N	0.717	1.00
11_Y	51_V	0.716	1.00
125_K	167_T	0.714	1.00
51_V	188_L	0.708	1.00
159_A	209_M	0.705	1.00
157_R	161_K	0.703	1.00
41_I	96_K	0.699	1.00
112_E	142_L	0.699	1.00
235_E	242_N	0.699	1.00
99_I	191_I	0.697	1.00
52_I	98_V	0.693	1.00
152_Y	213_F	0.692	1.00
94_L	97_I	0.688	1.00
37_V	41_I	0.686	1.00
44_N	96_K	0.682	1.00
7_E	10_K	0.680	1.00
145_V	220_A	0.679	1.00
10_K	46_G	0.677	1.00
122_S	126_A	0.675	1.00
211_R	215_N	0.675	1.00
44_N	47_K	0.675	1.00
121_I	183_L	0.673	1.00
149_I	177_H	0.671	1.00
121_I	187_T	0.669	1.00
30_F	33_Q	0.669	1.00
139_P	205_I	0.667	1.00
51_V	101_Q	0.667	1.00
121_I	186_A	0.665	1.00
138_F	208_N	0.665	1.00
128_F	176_V	0.662	1.00
192_E	196_T	0.659	1.00
132_G	224_L	0.659	1.00
82_T	86_E	0.659	1.00
107_Y	131_P	0.657	1.00
205_I	208_N	0.656	1.00
208_N	223_D	0.654	1.00
200_S	230_S	0.647	1.00
34_M	87_V	0.647	1.00
129_A	162_G	0.647	1.00
29_E	32_T	0.642	1.00
36_D	39_S	0.642	1.00
161_K	190_L	0.641	1.00
232_E	236_G	0.640	1.00
236_G	239_S	0.637	1.00
152_Y	209_M	0.634	1.00
147_H	150_L	0.631	1.00
150_L	155_V	0.626	1.00
103_K	126_A	0.618	1.00
11_Y	188_L	0.617	1.00
235_E	239_S	0.616	1.00
49_F	99_I	0.610	1.00
130_T	143_S	0.610	1.00
11_Y	191_I	0.608	1.00
167_T	171_K	0.607	1.00
204_Y	227_Q	0.605	1.00
154_N	171_K	0.603	1.00
62_A	67_L	0.602	1.00
38_L	90_K	0.599	1.00
100_S	120_V	0.598	1.00
190_L	193_E	0.597	1.00
137_V	233_A	0.596	1.00
14_L	52_I	0.594	1.00
168_N	178_I	0.592	1.00
14_L	38_L	0.591	1.00
235_E	238_L	0.589	1.00
108_G	130_T	0.587	1.00
152_Y	210_L	0.587	1.00
39_S	42_N	0.586	1.00
166_D	172_S	0.586	1.00
112_E	130_T	0.586	1.00
160_M	202_T	0.586	1.00
47_K	50_L	0.585	1.00
79_T	83_Y	0.584	1.00
238_L	241_L	0.583	1.00
233_A	236_G	0.581	1.00
231_E	235_E	0.581	1.00
165_I	170_A	0.580	1.00
150_L	173_I	0.579	1.00
49_F	195_S	0.579	1.00
74_S	226_V	0.577	1.00
51_V	184_D	0.577	1.00
133_V	197_L	0.576	1.00
22_R	63_D	0.575	1.00
132_G	142_L	0.574	1.00
145_V	148_F	0.573	1.00
119_Y	194_L	0.571	1.00
68_I	238_L	0.569	1.00
130_T	159_A	0.569	1.00
147_H	151_G	0.567	1.00
64_I	67_L	0.567	1.00
86_E	89_H	0.562	1.00
105_I	164_V	0.559	1.00
114_L	117_S	0.555	1.00
157_R	190_L	0.555	1.00
217_I	220_A	0.554	1.00
111_M	115_L	0.552	1.00
109_A	112_E	0.550	1.00
123_E	126_A	0.547	1.00
133_V	202_T	0.546	1.00
78_V	225_I	0.542	1.00
170_A	176_V	0.541	1.00
147_H	212_T	0.540	1.00
14_L	41_I	0.540	1.00
156_K	206_K	0.539	1.00
22_R	25_L	0.539	1.00
111_M	175_L	0.539	1.00
74_S	78_V	0.537	1.00
25_L	60_A	0.536	1.00
38_L	98_V	0.536	1.00
29_E	66_E	0.531	1.00
26_F	31_M	0.531	1.00
157_R	169_E	0.530	1.00
26_F	109_A	0.529	1.00
109_A	141_V	0.529	1.00
154_N	172_S	0.528	1.00
182_D	189_D	0.526	1.00
15_K	18_Q	0.525	1.00
161_K	194_L	0.522	1.00
158_I	161_K	0.520	1.00
48_R	195_S	0.519	1.00
106_A	111_M	0.517	1.00
38_L	50_L	0.517	1.00
27_N	63_D	0.517	1.00
101_Q	191_I	0.516	1.00
161_K	193_E	0.515	1.00
165_I	175_L	0.511	1.00
64_I	135_I	0.510	1.00
130_T	146_G	0.509	1.00
120_V	176_V	0.508	1.00
206_K	210_L	0.508	1.00
193_E	196_T	0.507	1.00
148_F	216_Y	0.506	1.00
138_F	205_I	0.506	1.00
147_H	209_M	0.502	1.00
200_S	227_Q	0.501	1.00
227_Q	230_S	0.500	1.00
31_M	35_I	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
4olqA	3	0.996	100	0.135	Contact Map
4mouA	3	0.996	100	0.136	Contact Map
4k2nA	3	0.992	100	0.137	Contact Map
4lk5A	3	0.9558	100	0.14	Contact Map
4k3wA	3	0.996	100	0.14	Contact Map
2vx2A	3	0.992	100	0.141	Contact Map
3hp0A	3	0.9839	100	0.141	Contact Map
4jfcA	3	0.996	100	0.143	Contact Map
3mybA	3	0.9839	100	0.145	Contact Map
1uiyA	6	0.9839	100	0.145	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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