Q97VS6 - SULSO - GREMLIN Contacts

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Q97VS6 - Enoyl CoA hydratase (PaaF-5)

UniProt:	Q97VS6	Sequences: MTKILLEKRKDVCWITLNRPEKLNALDKESWSLLANHLGECNNDQSISAIVLTGNGRAFSAGDDINAMLELKDQKDALDFFNTLYSAVESLVDLKKPLVCAVNGLAYGGGCEILLFCDIVIAVKDATFSIPEGRLGLIPPIAISLGYLILGRSIARLALTGDSITAEEAKMIGLVDIVVANEDLLTEVERQLEKIKSIDRSSILTIKNWLRDDKEKIRKAVMELALMALGNSAKEKMKEFMNRKRS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	246 (237)
Sequences:	30289 (20128)
Seq/√Len:	1307.4

ECOLI - PAAG PAAF MENB SCPB CAID FADB FADJ
BACSU - FADB YHAR YNGF MENB PKSI PKSH
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q97VS6 Q7LXQ1 Q97YL2 Q97WU7 Q97VK0 Q980Z9 Q97VK1 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_T	163_S	3.186	1.00
124_K	180_A	3.181	1.00
177_I	187_E	3.085	1.00
122_A	175_V	2.928	1.00
187_E	190_R	2.760	1.00
100_C	117_C	2.744	1.00
14_W	189_E	2.620	1.00
42_N	95_K	2.458	1.00
39_G	90_S	2.423	1.00
5_L	18_N	2.347	1.00
162_D	194_K	2.322	1.00
23_L	57_R	2.305	1.00
125_D	181_N	2.238	1.00
156_R	162_D	2.204	1.00
8_K	13_C	2.202	1.00
168_E	171_M	2.175	1.00
165_T	168_E	2.154	1.00
217_I	220_A	2.149	1.00
154_I	172_I	2.087	1.00
134_R	198_I	2.084	1.00
8_K	44_D	2.038	1.00
14_W	53_T	2.015	1.00
23_L	58_A	1.976	1.00
124_K	167_E	1.967	1.00
6_L	13_C	1.885	1.00
11_D	48_S	1.879	1.00
158_A	206_I	1.877	1.00
107_Y	129_S	1.877	1.00
101_A	188_V	1.873	1.00
35_A	90_S	1.843	1.00
29_E	33_L	1.831	1.00
156_R	176_D	1.819	1.00
18_N	55_N	1.808	1.00
238_K	242_N	1.790	1.00
121_I	179_V	1.787	1.00
101_A	185_L	1.786	1.00
16_T	55_N	1.772	1.00
183_D	186_T	1.771	1.00
13_C	41_C	1.721	1.00
16_T	53_T	1.708	1.00
189_E	193_E	1.679	1.00
40_E	44_D	1.677	1.00
124_K	181_N	1.672	1.00
50_I	94_L	1.660	1.00
168_E	172_I	1.639	1.00
118_D	207_K	1.626	1.00
120_V	149_I	1.600	1.00
167_E	171_M	1.549	1.00
121_I	191_Q	1.547	1.00
13_C	47_I	1.544	1.00
32_S	83_T	1.539	1.00
183_D	187_E	1.538	1.00
122_A	128_F	1.510	1.00
114_L	120_V	1.483	1.00
123_V	181_N	1.480	1.00
41_C	50_I	1.477	1.00
156_R	177_I	1.465	1.00
49_A	192_L	1.464	1.00
120_V	153_S	1.452	1.00
179_V	187_E	1.451	1.00
42_N	90_S	1.451	1.00
10_K	193_E	1.449	1.00
6_L	41_C	1.427	1.00
15_I	37_H	1.425	1.00
92_V	146_G	1.398	1.00
102_V	114_L	1.392	1.00
53_T	103_N	1.391	1.00
9_R	189_E	1.386	1.00
103_N	123_V	1.385	1.00
170_K	178_V	1.381	1.00
102_V	106_A	1.375	1.00
9_R	193_E	1.360	1.00
89_E	93_D	1.360	1.00
103_N	125_D	1.347	1.00
57_R	103_N	1.342	1.00
5_L	55_N	1.332	1.00
111_C	130_I	1.326	1.00
91_L	98_L	1.308	1.00
38_L	94_L	1.305	1.00
28_K	67_A	1.288	1.00
9_R	14_W	1.281	1.00
162_D	168_E	1.275	1.00
157_L	164_I	1.274	1.00
19_R	22_K	1.272	1.00
35_A	39_G	1.272	1.00
184_L	188_V	1.269	1.00
133_G	161_G	1.243	1.00
129_S	163_S	1.238	1.00
27_D	30_S	1.227	1.00
235_E	242_N	1.225	1.00
42_N	94_L	1.210	1.00
185_L	188_V	1.208	1.00
151_G	154_I	1.202	1.00
185_L	189_E	1.200	1.00
208_N	212_D	1.194	1.00
154_I	168_E	1.186	1.00
35_A	86_S	1.186	1.00
233_A	237_M	1.182	1.00
14_W	185_L	1.167	1.00
105_L	127_T	1.164	1.00
89_E	219_K	1.158	1.00
33_L	37_H	1.149	1.00
53_T	185_L	1.149	1.00
153_S	176_D	1.147	1.00
58_A	105_L	1.138	1.00
17_L	30_S	1.138	1.00
198_I	203_I	1.138	1.00
8_K	40_E	1.131	1.00
205_T	226_L	1.130	1.00
7_E	16_T	1.123	1.00
22_K	66_N	1.123	1.00
123_V	184_L	1.105	1.00
60_S	110_G	1.102	1.00
166_A	178_V	1.095	1.00
216_K	220_A	1.092	1.00
17_L	60_S	1.089	1.00
84_L	141_I	1.088	1.00
164_I	172_I	1.071	1.00
8_K	46_S	1.059	1.00
33_L	36_N	1.040	1.00
7_E	14_W	1.029	1.00
36_N	40_E	1.025	1.00
150_L	154_I	1.022	1.00
28_K	32_S	1.018	1.00
112_E	143_I	1.017	1.00
186_T	190_R	1.012	1.00
50_I	96_K	1.011	1.00
19_R	64_D	1.000	1.00
220_A	223_E	0.991	1.00
119_I	191_Q	0.989	1.00
5_L	16_T	0.987	1.00
98_L	117_C	0.973	1.00
192_L	196_K	0.969	1.00
217_I	221_V	0.966	1.00
201_S	232_S	0.965	1.00
14_W	51_V	0.954	1.00
56_G	103_N	0.947	1.00
51_V	188_V	0.940	1.00
127_T	165_T	0.938	1.00
95_K	204_L	0.935	1.00
170_K	175_V	0.930	1.00
124_K	178_V	0.928	1.00
112_E	132_E	0.926	1.00
111_C	128_F	0.924	1.00
47_I	96_K	0.919	1.00
216_K	224_L	0.919	1.00
37_H	40_E	0.917	1.00
149_I	153_S	0.911	1.00
53_T	101_A	0.908	1.00
167_E	170_K	0.899	1.00
234_K	238_K	0.897	1.00
180_A	183_D	0.897	1.00
103_N	184_L	0.889	1.00
50_I	98_L	0.883	1.00
101_A	184_L	0.866	1.00
23_L	61_A	0.864	1.00
200_R	204_L	0.862	1.00
108_G	131_P	0.857	1.00
78_L	82_N	0.856	1.00
102_V	120_V	0.851	1.00
102_V	128_F	0.848	1.00
12_V	49_A	0.848	1.00
123_V	182_E	0.848	1.00
138_I	227_M	0.847	1.00
132_E	140_P	0.843	1.00
45_Q	96_K	0.835	1.00
31_W	87_A	0.832	1.00
187_E	191_Q	0.824	1.00
133_G	206_I	0.822	1.00
150_L	157_L	0.815	1.00
52_L	117_C	0.814	1.00
152_R	214_K	0.810	1.00
119_I	176_D	0.810	1.00
199_D	232_S	0.809	1.00
189_E	192_L	0.801	1.00
32_S	36_N	0.795	1.00
186_T	189_E	0.794	1.00
205_T	208_N	0.788	1.00
93_D	219_K	0.786	1.00
38_L	91_L	0.786	1.00
190_R	194_K	0.785	1.00
8_K	47_I	0.784	1.00
235_E	239_E	0.780	1.00
157_L	172_I	0.779	1.00
170_K	177_I	0.776	1.00
107_Y	163_S	0.773	1.00
132_E	139_P	0.771	1.00
39_G	86_S	0.769	1.00
35_A	83_T	0.769	1.00
42_N	96_K	0.768	1.00
156_R	160_T	0.765	1.00
236_K	239_E	0.764	1.00
39_G	43_N	0.764	1.00
212_D	216_K	0.763	1.00
66_N	241_M	0.760	1.00
15_I	50_I	0.758	1.00
134_R	163_S	0.756	1.00
177_I	191_Q	0.753	1.00
188_V	192_L	0.753	1.00
166_A	175_V	0.751	1.00
35_A	87_A	0.749	1.00
95_K	208_N	0.749	1.00
28_K	83_T	0.747	1.00
41_C	47_I	0.742	1.00
115_L	174_L	0.742	1.00
27_D	67_A	0.737	1.00
212_D	224_L	0.737	1.00
112_E	140_P	0.735	1.00
219_K	223_E	0.732	1.00
58_A	103_N	0.730	1.00
231_N	234_K	0.730	1.00
26_L	30_S	0.727	1.00
19_R	27_D	0.726	1.00
194_K	198_I	0.720	1.00
94_L	98_L	0.718	1.00
218_R	222_M	0.716	1.00
139_P	206_I	0.716	1.00
169_A	174_L	0.713	1.00
41_C	96_K	0.712	1.00
190_R	193_E	0.711	1.00
88_V	116_F	0.710	1.00
147_Y	150_L	0.701	1.00
6_L	37_H	0.700	1.00
48_S	200_R	0.698	1.00
158_A	210_L	0.691	1.00
94_L	97_P	0.689	1.00
6_L	40_E	0.687	1.00
23_L	105_L	0.682	1.00
179_V	184_L	0.679	1.00
195_I	203_I	0.677	1.00
128_F	175_V	0.675	1.00
19_R	25_A	0.672	1.00
160_T	191_Q	0.669	1.00
121_I	188_V	0.668	1.00
103_N	181_N	0.667	1.00
216_K	221_V	0.664	1.00
82_N	86_S	0.664	1.00
205_T	227_M	0.664	1.00
52_L	98_L	0.663	1.00
237_M	241_M	0.662	1.00
29_E	32_S	0.662	1.00
102_V	126_A	0.661	1.00
151_G	155_A	0.660	1.00
232_S	236_K	0.659	1.00
121_I	177_I	0.654	1.00
8_K	11_D	0.648	1.00
193_E	197_S	0.648	1.00
221_V	224_L	0.643	1.00
129_S	161_G	0.643	1.00
44_D	47_I	0.641	1.00
30_S	33_L	0.641	1.00
145_L	221_V	0.641	1.00
122_A	126_A	0.640	1.00
12_V	51_V	0.639	1.00
206_I	209_W	0.636	1.00
149_I	176_D	0.636	1.00
107_Y	131_P	0.635	1.00
138_I	209_W	0.632	1.00
51_V	189_E	0.632	1.00
121_I	184_L	0.632	1.00
51_V	101_A	0.631	1.00
112_E	142_A	0.631	1.00
63_D	68_M	0.630	1.00
36_N	39_G	0.624	1.00
152_R	211_R	0.623	1.00
175_V	178_V	0.618	1.00
137_L	233_A	0.617	1.00
11_D	46_S	0.614	1.00
159_L	203_I	0.614	1.00
12_V	189_E	0.613	1.00
99_V	192_L	0.612	1.00
37_H	41_C	0.612	1.00
132_E	142_A	0.610	1.00
130_I	143_I	0.609	1.00
39_G	42_N	0.606	1.00
218_R	221_V	0.606	1.00
200_R	203_I	0.603	1.00
154_I	170_K	0.603	1.00
108_G	130_I	0.603	1.00
167_E	178_V	0.598	1.00
100_C	120_V	0.597	1.00
164_I	169_A	0.596	1.00
112_E	130_I	0.595	1.00
49_A	99_V	0.593	1.00
121_I	187_E	0.591	1.00
69_L	238_K	0.591	1.00
49_A	196_K	0.591	1.00
79_D	83_T	0.590	1.00
201_S	230_G	0.586	1.00
44_D	96_K	0.586	1.00
207_K	211_R	0.585	1.00
150_L	155_A	0.585	1.00
162_D	177_I	0.583	1.00
12_V	192_L	0.583	1.00
156_R	168_E	0.582	1.00
109_G	141_I	0.581	1.00
72_K	76_D	0.578	1.00
152_R	210_L	0.575	1.00
111_C	115_L	0.574	1.00
233_A	236_K	0.573	1.00
105_L	163_S	0.571	1.00
38_L	90_S	0.570	1.00
191_Q	194_K	0.569	1.00
34_L	87_A	0.566	1.00
103_N	126_A	0.563	1.00
150_L	172_I	0.563	1.00
231_N	235_E	0.562	1.00
15_I	52_L	0.561	1.00
112_E	146_G	0.559	1.00
109_G	112_E	0.559	1.00
130_I	158_A	0.556	1.00
140_P	143_I	0.552	1.00
63_D	109_G	0.550	1.00
22_K	64_D	0.545	1.00
165_T	171_M	0.543	1.00
160_T	195_I	0.542	1.00
209_W	224_L	0.541	1.00
119_I	195_I	0.540	1.00
86_S	89_E	0.539	1.00
145_L	148_L	0.538	1.00
238_K	241_M	0.537	1.00
235_E	238_K	0.535	1.00
166_A	170_K	0.535	1.00
133_G	198_I	0.535	1.00
183_D	190_R	0.534	1.00
114_L	117_C	0.532	1.00
177_I	190_R	0.531	1.00
25_A	61_A	0.529	1.00
48_S	196_K	0.528	1.00
123_V	126_A	0.528	1.00
111_C	174_L	0.528	1.00
26_L	31_W	0.527	1.00
6_L	15_I	0.526	1.00
169_A	175_V	0.525	1.00
201_S	227_M	0.523	1.00
86_S	90_S	0.522	1.00
47_I	50_I	0.521	1.00
227_M	230_G	0.520	1.00
125_D	166_A	0.519	1.00
139_P	142_A	0.519	1.00
26_L	109_G	0.518	1.00
15_I	38_L	0.517	1.00
27_D	64_D	0.517	1.00
38_L	98_L	0.516	1.00
106_A	111_C	0.514	1.00
154_I	171_M	0.512	1.00
194_K	197_S	0.509	1.00
139_P	158_A	0.509	1.00
96_K	200_R	0.506	1.00
156_R	191_Q	0.504	1.00
108_G	140_P	0.504	1.00
31_W	35_A	0.503	1.00
120_V	175_V	0.503	1.00
128_F	169_A	0.503	1.00
239_E	242_N	0.502	1.00
51_V	185_L	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
3qmjA	3	0.8496	100	0.118	Contact Map
4lk5A	3	0.9634	100	0.118	Contact Map
4mouA	3	1	100	0.119	Contact Map
2vx2A	3	1	100	0.122	Contact Map
3kqfA	3	0.9959	100	0.123	Contact Map
4olqA	3	1	100	0.124	Contact Map
3peaA	3	0.9959	100	0.124	Contact Map
4k3wA	3	1	100	0.125	Contact Map
4k2nA	3	0.9959	100	0.126	Contact Map
4jfcA	3	0.9959	100	0.126	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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