YHAR - BACSU - GREMLIN Contacts

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YHAR - Putative enoyl-CoA hydratase/isomerase YhaR

UniProt:	O07533	Sequences: MEFVQYACNGAVAEIILNRPDAHHALNEQMLSELKEAVEMAAASEALIVLLRGSGKGFSAGGDIRMMTSEHDPDQFKRLMDTIEAVTLNLYQMKKVTIAAIHGAAAGLGLSLALCADIVLAEKNAVLAMNFIGIGLVPDGGGHYLLKKRIGEAKAKKLIWSGKKLSASEAADMGLLDGTFAGDPAEGARPIIETLLASPLLAMIETKGIFQSLQIEELKKVLSLERSAQERMRRTKDHQEGIRAFLEKREPKFQA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	255 (245)
Sequences:	30203 (20001)
Seq/√Len:	1277.8

ECOLI - PAAG PAAF SCPB MENB CAID FADB FADJ
BACSU - YHAR FADB YNGF PKSH MENB PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q7LXQ1 Q97YL2 Q97WU7 Q97VK0 Q97VK1 Q97VS6 Q980Z9 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
126_V	164_K	3.221	1.00
123_K	181_A	3.137	1.00
178_G	187_G	3.056	1.00
121_A	176_L	2.964	1.00
99_A	116_A	2.834	1.00
187_G	190_P	2.762	1.00
14_E	189_R	2.672	1.00
42_A	94_K	2.494	1.00
39_E	89_N	2.469	1.00
23_H	56_K	2.320	1.00
163_K	194_T	2.312	1.00
5_Q	18_N	2.250	1.00
169_E	172_D	2.216	1.00
217_E	220_K	2.191	1.00
166_S	169_E	2.163	1.00
8_C	13_A	2.154	1.00
157_K	163_K	2.125	1.00
124_N	182_G	2.103	1.00
14_E	52_R	2.086	1.00
154_K	173_M	2.055	1.00
159_I	206_T	2.043	1.00
8_C	44_S	2.030	1.00
100_A	188_A	2.010	1.00
133_G	198_S	1.997	1.00
123_K	168_S	1.953	1.00
6_Y	13_A	1.933	1.00
35_K	89_N	1.933	1.00
11_A	47_L	1.921	1.00
16_I	54_S	1.891	1.00
106_A	128_A	1.876	1.00
18_N	54_S	1.863	1.00
29_Q	33_E	1.858	1.00
240_E	249_R	1.845	1.00
243_R	247_E	1.835	1.00
23_H	57_G	1.833	1.00
120_L	180_F	1.814	1.00
16_I	52_R	1.797	1.00
156_K	211_Q	1.773	1.00
13_A	41_A	1.753	1.00
157_K	177_D	1.736	1.00
189_R	193_E	1.698	1.00
49_V	93_M	1.680	1.00
117_D	207_K	1.678	1.00
169_E	173_M	1.654	1.00
40_M	44_S	1.652	1.00
13_A	46_A	1.636	1.00
152_E	156_K	1.630	1.00
123_K	182_G	1.609	1.00
32_S	82_T	1.565	1.00
120_L	191_I	1.564	1.00
168_S	172_D	1.552	1.00
121_A	127_L	1.533	1.00
180_F	187_G	1.529	1.00
157_K	178_G	1.521	1.00
41_A	49_V	1.520	1.00
184_P	187_G	1.503	1.00
42_A	89_N	1.499	1.00
119_V	153_A	1.474	1.00
113_A	119_V	1.462	1.00
15_I	37_A	1.454	1.00
122_E	182_G	1.443	1.00
9_N	189_R	1.429	1.00
101_I	113_A	1.429	1.00
119_V	149_R	1.428	1.00
156_K	160_W	1.412	1.00
88_L	219_K	1.411	1.00
156_K	210_F	1.409	1.00
88_L	92_Q	1.409	1.00
6_Y	41_A	1.402	1.00
102_H	124_N	1.388	1.00
171_A	179_T	1.379	1.00
48_I	192_I	1.372	1.00
10_G	193_E	1.372	1.00
102_H	122_E	1.372	1.00
5_Q	54_S	1.364	1.00
205_E	231_R	1.355	1.00
185_A	188_A	1.348	1.00
154_K	157_K	1.339	1.00
35_K	39_E	1.339	1.00
110_L	129_M	1.337	1.00
101_I	105_A	1.329	1.00
91_Y	145_L	1.328	1.00
38_V	93_M	1.323	1.00
9_N	193_E	1.323	1.00
90_L	97_T	1.317	1.00
52_R	102_H	1.311	1.00
9_N	14_E	1.307	1.00
158_L	165_L	1.303	1.00
56_K	102_H	1.299	1.00
163_K	169_E	1.261	1.00
28_E	66_M	1.255	1.00
128_A	164_K	1.243	1.00
72_D	75_Q	1.241	1.00
27_N	30_M	1.227	1.00
104_A	126_V	1.223	1.00
35_K	85_A	1.216	1.00
42_A	93_M	1.210	1.00
57_G	104_A	1.206	1.00
153_A	177_D	1.204	1.00
208_G	212_S	1.197	1.00
17_L	30_M	1.185	1.00
154_K	169_E	1.184	1.00
33_E	37_A	1.175	1.00
238_H	242_I	1.169	1.00
216_E	220_K	1.159	1.00
132_I	162_G	1.157	1.00
19_R	22_A	1.152	1.00
198_S	203_M	1.145	1.00
8_C	45_E	1.122	1.00
212_S	224_L	1.121	1.00
7_A	16_I	1.116	1.00
22_A	65_R	1.100	1.00
165_L	173_M	1.097	1.00
122_E	185_A	1.087	1.00
167_A	179_T	1.086	1.00
28_E	32_S	1.078	1.00
8_C	40_M	1.078	1.00
201_L	237_D	1.078	1.00
92_Q	219_K	1.077	1.00
17_L	59_S	1.075	1.00
151_G	154_K	1.063	1.00
59_S	109_G	1.058	1.00
33_E	36_E	1.049	1.00
5_Q	16_I	1.044	1.00
111_S	142_G	1.038	1.00
7_A	14_E	1.034	1.00
186_E	190_P	1.025	1.00
83_I	140_G	1.018	1.00
49_V	95_K	1.017	1.00
118_I	191_I	1.016	1.00
36_E	40_M	1.014	1.00
216_E	224_L	1.014	1.00
97_T	116_A	1.009	1.00
52_R	100_A	0.991	1.00
37_A	40_M	0.980	1.00
46_A	95_K	0.976	1.00
150_I	154_K	0.969	1.00
94_K	204_I	0.960	1.00
149_R	153_A	0.959	1.00
192_I	196_L	0.954	1.00
181_A	184_P	0.945	1.00
168_S	171_A	0.939	1.00
49_V	97_T	0.935	1.00
14_E	50_L	0.935	1.00
19_R	63_D	0.932	1.00
110_L	127_L	0.921	1.00
239_Q	243_R	0.918	1.00
122_E	183_D	0.918	1.00
171_A	176_L	0.916	1.00
50_L	188_A	0.915	1.00
208_G	228_A	0.915	1.00
200_L	204_I	0.914	1.00
55_G	102_H	0.909	1.00
143_H	225_E	0.904	1.00
126_V	166_S	0.899	1.00
220_K	223_S	0.892	1.00
12_V	48_I	0.891	1.00
189_R	192_I	0.877	1.00
132_I	206_T	0.874	1.00
100_A	185_A	0.874	1.00
77_K	81_D	0.873	1.00
123_K	179_T	0.870	1.00
205_E	228_A	0.865	1.00
152_E	214_Q	0.856	1.00
224_L	227_S	0.853	1.00
205_E	208_G	0.852	1.00
102_H	185_A	0.844	1.00
31_L	86_V	0.842	1.00
101_I	127_L	0.839	1.00
137_V	232_M	0.838	1.00
205_E	232_M	0.833	1.00
171_A	178_G	0.831	1.00
35_K	82_T	0.830	1.00
15_I	49_V	0.821	1.00
8_C	46_A	0.819	1.00
158_L	173_M	0.818	1.00
101_I	119_V	0.817	1.00
106_A	164_K	0.816	1.00
146_L	150_I	0.816	1.00
38_V	90_L	0.814	1.00
188_A	192_I	0.812	1.00
186_E	189_R	0.811	1.00
42_A	95_K	0.808	1.00
159_I	210_F	0.808	1.00
23_H	60_A	0.808	1.00
118_I	177_D	0.803	1.00
144_Y	221_V	0.803	1.00
39_E	43_A	0.803	1.00
28_E	82_T	0.799	1.00
74_D	78_R	0.797	1.00
224_L	228_A	0.796	1.00
187_G	191_I	0.793	1.00
150_I	158_L	0.792	1.00
111_S	131_F	0.789	1.00
39_E	85_A	0.781	1.00
190_P	194_T	0.781	1.00
178_G	191_I	0.774	1.00
65_R	246_L	0.766	1.00
133_G	164_K	0.764	1.00
157_K	161_S	0.759	1.00
51_L	116_A	0.758	1.00
209_I	228_A	0.757	1.00
32_S	36_E	0.756	1.00
26_L	30_M	0.751	1.00
35_K	86_V	0.749	1.00
41_A	46_A	0.747	1.00
228_A	231_R	0.746	1.00
194_T	198_S	0.743	1.00
93_M	97_T	0.739	1.00
44_S	95_K	0.738	1.00
81_D	85_A	0.738	1.00
94_K	208_G	0.735	1.00
167_A	176_L	0.734	1.00
87_T	115_C	0.734	1.00
57_G	102_H	0.732	1.00
236_K	239_Q	0.732	1.00
27_N	66_M	0.730	1.00
114_L	175_L	0.729	1.00
6_Y	37_A	0.727	1.00
199_P	237_D	0.723	1.00
47_L	200_L	0.722	1.00
19_R	27_N	0.717	1.00
190_P	193_E	0.716	1.00
242_I	246_L	0.712	1.00
50_L	100_A	0.711	1.00
195_L	203_M	0.711	1.00
131_F	139_D	0.709	1.00
170_A	175_L	0.709	1.00
223_S	227_S	0.707	1.00
107_G	130_N	0.705	1.00
151_G	155_A	0.704	1.00
144_Y	147_K	0.703	1.00
218_L	222_L	0.699	1.00
81_D	226_R	0.699	1.00
6_Y	40_M	0.695	1.00
120_L	178_G	0.687	1.00
12_V	50_L	0.680	1.00
201_L	235_T	0.678	1.00
127_L	176_L	0.670	1.00
152_E	211_Q	0.670	1.00
226_R	230_E	0.670	1.00
30_M	33_E	0.670	1.00
124_N	167_A	0.669	1.00
37_A	41_A	0.668	1.00
161_S	191_I	0.667	1.00
51_L	97_T	0.664	1.00
11_A	45_E	0.664	1.00
101_I	125_A	0.663	1.00
176_L	179_T	0.658	1.00
23_H	104_A	0.657	1.00
209_I	224_L	0.656	1.00
19_R	25_A	0.656	1.00
29_Q	32_S	0.656	1.00
77_K	227_S	0.653	1.00
68_T	243_R	0.648	1.00
154_K	171_A	0.647	1.00
50_L	189_R	0.644	1.00
227_S	231_R	0.639	1.00
138_P	206_T	0.637	1.00
193_E	197_A	0.637	1.00
191_I	194_T	0.634	1.00
131_F	138_P	0.631	1.00
39_E	42_A	0.630	1.00
106_A	130_N	0.629	1.00
128_A	162_G	0.627	1.00
6_Y	15_I	0.625	1.00
212_S	216_E	0.622	1.00
93_M	96_V	0.621	1.00
98_I	192_I	0.620	1.00
48_I	98_I	0.619	1.00
111_S	139_D	0.618	1.00
240_E	244_A	0.618	1.00
48_I	196_L	0.615	1.00
137_V	209_I	0.614	1.00
41_A	95_K	0.613	1.00
85_A	88_L	0.611	1.00
12_V	189_R	0.611	1.00
152_E	210_F	0.609	1.00
78_R	82_T	0.609	1.00
36_E	39_E	0.607	1.00
241_G	244_A	0.606	1.00
8_C	11_A	0.603	1.00
120_L	187_G	0.603	1.00
22_A	25_A	0.603	1.00
99_A	119_V	0.603	1.00
120_L	188_A	0.603	1.00
157_K	169_E	0.601	1.00
129_M	142_G	0.598	1.00
73_P	231_R	0.597	1.00
143_H	221_V	0.597	1.00
131_F	229_Q	0.595	1.00
236_K	240_E	0.595	1.00
180_F	185_A	0.594	1.00
201_L	232_M	0.593	1.00
165_L	170_A	0.592	1.00
104_A	164_K	0.592	1.00
62_G	67_M	0.591	1.00
160_W	203_M	0.587	1.00
168_S	179_T	0.585	1.00
243_R	246_L	0.583	1.00
240_E	247_E	0.583	1.00
34_L	86_V	0.582	1.00
22_A	63_D	0.581	1.00
121_A	125_A	0.580	1.00
219_K	223_S	0.579	1.00
12_V	192_I	0.577	1.00
237_D	241_G	0.577	1.00
47_L	196_L	0.575	1.00
113_A	116_A	0.573	1.00
136_L	238_H	0.572	1.00
15_I	51_L	0.572	1.00
206_T	209_I	0.569	1.00
102_H	182_G	0.565	1.00
149_R	177_D	0.564	1.00
240_E	243_R	0.562	1.00
129_M	159_I	0.561	1.00
77_K	230_E	0.560	1.00
144_Y	148_K	0.559	1.00
166_S	172_D	0.559	1.00
132_I	198_S	0.558	1.00
111_S	129_M	0.558	1.00
111_S	141_G	0.558	1.00
150_I	155_A	0.556	1.00
156_K	207_K	0.554	1.00
100_A	192_I	0.553	1.00
129_M	146_L	0.551	1.00
85_A	89_N	0.549	1.00
120_L	185_A	0.543	1.00
38_V	89_N	0.543	1.00
163_K	178_G	0.541	1.00
167_A	171_A	0.538	1.00
64_I	134_I	0.538	1.00
110_L	175_L	0.536	1.00
38_V	97_T	0.534	1.00
107_G	129_M	0.534	1.00
238_H	241_G	0.532	1.00
137_V	206_T	0.532	1.00
110_L	114_L	0.530	1.00
161_S	195_L	0.529	1.00
154_K	172_D	0.529	1.00
170_A	176_L	0.526	1.00
161_S	194_T	0.526	1.00
26_L	108_L	0.526	1.00
150_I	173_M	0.523	1.00
118_I	195_L	0.518	1.00
15_I	38_V	0.518	1.00
216_E	221_V	0.517	1.00
194_T	197_A	0.516	1.00
138_P	159_I	0.514	1.00
62_G	108_L	0.512	1.00
29_Q	66_M	0.511	1.00
108_L	140_G	0.511	1.00
91_Y	218_L	0.511	1.00
27_N	63_D	0.510	1.00
68_T	246_L	0.510	1.00
122_E	125_A	0.510	1.00
132_I	203_M	0.508	1.00
31_L	35_K	0.508	1.00
207_K	211_Q	0.507	1.00
99_A	113_A	0.507	1.00
15_I	41_A	0.507	1.00
12_V	196_L	0.506	1.00
208_G	224_L	0.504	1.00
97_T	117_D	0.504	1.00
184_P	190_P	0.503	1.00
115_C	145_L	0.503	1.00
46_A	49_V	0.501	1.00
157_K	191_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
2fbmA	3	0.9608	100	0.088	Contact Map
4jfcA	3	0.9922	100	0.092	Contact Map
3kqfA	3	0.9961	100	0.095	Contact Map
4og1A	3	0.949	100	0.097	Contact Map
4lk5A	3	0.9647	100	0.097	Contact Map
3bptA	1	0.9961	100	0.098	Contact Map
2gtrA	3	0.9922	100	0.098	Contact Map
3hinA	5	0.9843	100	0.1	Contact Map
3peaA	3	0.9961	100	0.1	Contact Map
3g64A	6	1	100	0.102	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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