Q7LXQ1 - SULSO - GREMLIN Contacts

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Q7LXQ1 - Enoyl CoA hydratase (PaaF-2)

UniProt:	Q7LXQ1	Sequences: METIVTKEEPPIEWIVLNRPDKLNSINSIMIREIGDILRQIVDNDKIKVVIFTGSGKAFSAGADISQFKDLDPVKAWEFAIKGRELMDYIERYPKPTIAMINGYALGGGLELALSCDLRIASQIAELGLPEINLGIYPGFGGTQRLVRLIGKGRAMEIIMLGDIIKADYAERIGLVNRVVEPSSLEKEVRELALKLAEKPQIAIRLIKTVVNYGNDAPILSGLTLESLGWGIAFATEEEKKRVNEFLSRRSK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	252 (243)
Sequences:	30295 (19959)
Seq/√Len:	1280.4

ECOLI - PAAG PAAF MENB SCPB CAID FADB FADJ
BACSU - FADB YNGF YHAR MENB PKSH PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61 Q9HNM6
SULSO - Q7LXQ1 Q97WU7 Q97YL2 Q97VS6 Q97VK0 Q97VK1 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
123_Q	181_E	3.218	1.00
126_E	164_I	3.200	1.00
178_R	188_E	3.115	1.00
121_A	176_V	2.950	1.00
188_E	191_E	2.819	1.00
99_A	116_C	2.805	1.00
14_W	190_R	2.630	1.00
42_V	94_P	2.537	1.00
39_R	89_Y	2.489	1.00
23_L	57_K	2.326	1.00
163_D	195_K	2.312	1.00
218_P	221_S	2.297	1.00
124_I	182_P	2.244	1.00
169_Y	172_R	2.226	1.00
166_K	169_Y	2.213	1.00
157_E	163_D	2.162	1.00
154_R	173_I	2.079	1.00
133_N	199_K	2.036	1.00
8_E	13_E	2.017	1.00
123_Q	168_D	2.008	1.00
14_W	53_T	2.003	1.00
8_E	44_N	1.981	1.00
159_I	207_I	1.971	1.00
23_L	58_A	1.961	1.00
106_L	128_G	1.929	1.00
100_M	189_V	1.925	1.00
29_I	33_E	1.898	1.00
6_T	13_E	1.889	1.00
11_P	48_K	1.886	1.00
35_G	89_Y	1.869	1.00
18_N	55_S	1.827	1.00
244_N	248_S	1.821	1.00
16_V	55_S	1.816	1.00
100_M	186_E	1.801	1.00
120_I	180_V	1.801	1.00
184_S	187_K	1.774	1.00
157_E	177_N	1.750	1.00
156_M	212_N	1.750	1.00
13_E	41_I	1.749	1.00
16_V	53_T	1.723	1.00
190_R	194_L	1.693	1.00
123_Q	182_P	1.668	1.00
169_Y	173_I	1.666	1.00
50_V	93_Y	1.650	1.00
32_R	82_K	1.602	1.00
117_D	208_K	1.584	1.00
13_E	47_I	1.577	1.00
152_K	156_M	1.574	1.00
168_D	172_R	1.545	1.00
120_I	192_L	1.545	1.00
40_Q	44_N	1.535	1.00
157_E	178_R	1.519	1.00
42_V	89_Y	1.500	1.00
121_A	127_L	1.497	1.00
41_I	50_V	1.488	1.00
113_A	119_R	1.467	1.00
119_R	149_L	1.466	1.00
10_P	194_L	1.462	1.00
122_S	182_P	1.456	1.00
184_S	188_E	1.454	1.00
156_M	211_V	1.452	1.00
119_R	153_G	1.450	1.00
180_V	188_E	1.442	1.00
49_V	193_A	1.436	1.00
15_I	37_I	1.433	1.00
6_T	41_I	1.426	1.00
53_T	102_N	1.424	1.00
171_E	179_V	1.416	1.00
9_E	190_R	1.410	1.00
88_D	220_L	1.402	1.00
156_M	160_M	1.390	1.00
102_N	124_I	1.364	1.00
91_E	145_R	1.363	1.00
163_D	169_Y	1.354	1.00
101_I	113_A	1.345	1.00
90_I	97_T	1.344	1.00
102_N	122_S	1.336	1.00
9_E	194_L	1.334	1.00
88_D	92_R	1.329	1.00
101_I	105_A	1.325	1.00
38_L	93_Y	1.319	1.00
154_R	157_E	1.318	1.00
28_S	67_Q	1.305	1.00
110_L	129_L	1.304	1.00
57_K	102_N	1.288	1.00
9_E	14_W	1.287	1.00
27_N	30_M	1.281	1.00
72_D	75_K	1.272	1.00
19_R	22_K	1.271	1.00
158_I	165_I	1.271	1.00
35_G	39_R	1.260	1.00
206_L	232_I	1.257	1.00
132_I	162_G	1.248	1.00
128_G	164_I	1.241	1.00
35_G	85_E	1.216	1.00
209_T	213_Y	1.214	1.00
17_L	30_M	1.198	1.00
241_K	248_S	1.194	1.00
42_V	93_Y	1.188	1.00
239_E	243_V	1.185	1.00
104_Y	126_E	1.181	1.00
154_R	169_Y	1.172	1.00
33_E	37_I	1.164	1.00
53_T	186_E	1.164	1.00
153_G	177_N	1.153	1.00
185_L	189_V	1.148	1.00
186_E	190_R	1.147	1.00
14_W	186_E	1.142	1.00
186_E	189_V	1.139	1.00
122_S	185_L	1.128	1.00
199_K	204_I	1.127	1.00
58_A	104_Y	1.123	1.00
217_A	225_L	1.101	1.00
167_A	179_V	1.099	1.00
217_A	221_S	1.094	1.00
165_I	173_I	1.091	1.00
17_L	60_S	1.084	1.00
151_G	154_R	1.080	1.00
60_S	109_G	1.068	1.00
181_E	184_S	1.067	1.00
22_K	66_S	1.066	1.00
83_G	140_F	1.045	1.00
187_K	191_E	1.044	1.00
36_D	40_Q	1.039	1.00
7_K	16_V	1.034	1.00
8_E	46_K	1.030	1.00
8_E	40_Q	1.030	1.00
33_E	36_D	1.026	1.00
118_L	192_L	1.023	1.00
92_R	220_L	1.021	1.00
213_Y	225_L	1.019	1.00
97_T	116_C	1.005	1.00
50_V	95_K	1.003	1.00
19_R	64_D	0.999	1.00
202_I	238_E	0.998	1.00
28_S	32_R	0.997	1.00
171_E	176_V	0.973	1.00
111_E	142_G	0.961	1.00
7_K	14_W	0.961	1.00
150_I	154_R	0.950	1.00
143_T	226_E	0.947	1.00
56_G	102_N	0.945	1.00
193_A	197_A	0.938	1.00
51_I	189_V	0.932	1.00
144_Q	222_G	0.924	1.00
123_Q	179_V	0.922	1.00
45_D	95_K	0.920	1.00
47_I	95_K	0.916	1.00
14_W	51_I	0.913	1.00
110_L	127_L	0.912	1.00
37_I	40_Q	0.910	1.00
168_D	171_E	0.909	1.00
221_S	224_T	0.908	1.00
209_T	229_G	0.902	1.00
201_Q	205_R	0.901	1.00
94_P	205_R	0.899	1.00
126_E	166_K	0.899	1.00
102_N	185_L	0.898	1.00
149_L	153_G	0.897	1.00
50_V	97_T	0.895	1.00
53_T	100_M	0.895	1.00
101_I	127_L	0.885	1.00
12_I	49_V	0.874	1.00
240_K	244_N	0.872	1.00
190_R	193_A	0.860	1.00
132_I	207_I	0.858	1.00
77_W	81_I	0.858	1.00
31_I	86_L	0.854	1.00
118_L	177_N	0.854	1.00
101_I	119_R	0.854	1.00
23_L	61_A	0.850	1.00
196_L	204_I	0.840	1.00
137_Y	233_A	0.835	1.00
225_L	228_L	0.831	1.00
100_M	185_L	0.823	1.00
8_E	47_I	0.822	1.00
38_L	90_I	0.818	1.00
206_L	229_G	0.817	1.00
152_K	215_N	0.812	1.00
35_G	82_K	0.809	1.00
122_S	183_S	0.807	1.00
241_K	245_E	0.800	1.00
150_I	158_I	0.794	1.00
66_S	247_L	0.793	1.00
188_E	192_L	0.793	1.00
146_L	150_I	0.792	1.00
39_R	85_E	0.788	1.00
210_V	229_G	0.783	1.00
187_K	190_R	0.780	1.00
106_L	164_I	0.776	1.00
159_I	211_V	0.776	1.00
32_R	36_D	0.773	1.00
111_E	131_E	0.771	1.00
206_L	233_A	0.767	1.00
41_I	47_I	0.767	1.00
158_I	173_I	0.758	1.00
171_E	178_R	0.757	1.00
39_R	43_D	0.757	1.00
15_I	50_V	0.755	1.00
42_V	95_K	0.752	1.00
107_G	130_P	0.750	1.00
35_G	86_L	0.747	1.00
206_L	209_T	0.743	1.00
52_F	116_C	0.733	1.00
28_S	82_K	0.731	1.00
200_P	238_E	0.729	1.00
133_N	164_I	0.729	1.00
48_K	201_Q	0.728	1.00
167_A	176_V	0.728	1.00
94_P	209_T	0.726	1.00
157_E	161_L	0.725	1.00
178_R	192_L	0.724	1.00
191_E	194_L	0.719	1.00
243_V	247_L	0.719	1.00
180_V	185_L	0.718	1.00
101_I	125_A	0.717	1.00
242_R	245_E	0.717	1.00
6_T	40_Q	0.715	1.00
195_K	199_K	0.714	1.00
27_N	67_Q	0.713	1.00
191_E	195_K	0.712	1.00
93_Y	97_T	0.709	1.00
219_I	223_L	0.708	1.00
237_E	240_K	0.707	1.00
19_R	27_N	0.706	1.00
170_A	175_L	0.705	1.00
225_L	229_G	0.705	1.00
58_A	102_N	0.704	1.00
189_V	193_A	0.704	1.00
74_V	78_E	0.701	1.00
26_I	30_M	0.699	1.00
144_Q	147_V	0.699	1.00
114_L	175_L	0.698	1.00
229_G	232_I	0.697	1.00
23_L	104_Y	0.695	1.00
87_M	115_S	0.694	1.00
51_I	190_R	0.691	1.00
120_I	189_V	0.680	1.00
151_G	155_A	0.673	1.00
19_R	25_S	0.672	1.00
131_E	139_G	0.671	1.00
12_I	51_I	0.668	1.00
224_T	228_L	0.663	1.00
176_V	179_V	0.661	1.00
238_E	242_R	0.659	1.00
6_T	37_I	0.658	1.00
41_I	95_K	0.658	1.00
11_P	46_K	0.657	1.00
161_L	192_L	0.654	1.00
227_S	231_G	0.654	1.00
93_Y	96_P	0.653	1.00
202_I	236_T	0.652	1.00
52_F	97_T	0.650	1.00
120_I	178_R	0.649	1.00
228_L	232_I	0.648	1.00
30_M	33_E	0.647	1.00
37_I	41_I	0.644	1.00
102_N	182_P	0.644	1.00
81_I	85_E	0.642	1.00
213_Y	217_A	0.641	1.00
138_P	207_I	0.637	1.00
77_W	228_L	0.635	1.00
127_L	176_V	0.635	1.00
51_I	100_M	0.631	1.00
29_I	32_R	0.630	1.00
137_Y	210_V	0.629	1.00
210_V	225_L	0.628	1.00
220_L	224_T	0.628	1.00
106_L	130_P	0.627	1.00
194_L	198_E	0.626	1.00
12_I	190_R	0.623	1.00
152_K	212_N	0.620	1.00
34_I	86_L	0.620	1.00
128_G	162_G	0.617	1.00
131_E	138_P	0.617	1.00
8_E	11_P	0.615	1.00
98_I	193_A	0.615	1.00
168_D	179_V	0.615	1.00
49_V	98_I	0.612	1.00
131_E	230_W	0.612	1.00
201_Q	204_I	0.611	1.00
111_E	139_G	0.609	1.00
81_I	227_S	0.607	1.00
69_K	244_N	0.606	1.00
121_A	125_A	0.605	1.00
44_N	95_K	0.602	1.00
152_K	211_V	0.599	1.00
99_A	119_R	0.599	1.00
6_T	15_I	0.597	1.00
154_R	171_E	0.597	1.00
161_L	196_L	0.596	1.00
73_P	232_I	0.596	1.00
36_D	39_R	0.595	1.00
102_N	125_A	0.591	1.00
39_R	42_V	0.588	1.00
44_N	47_I	0.587	1.00
160_M	204_I	0.586	1.00
150_I	155_A	0.585	1.00
12_I	193_A	0.584	1.00
120_I	188_E	0.583	1.00
51_I	186_E	0.583	1.00
111_E	141_G	0.578	1.00
63_A	68_F	0.570	1.00
15_I	38_L	0.569	1.00
120_I	185_L	0.568	1.00
241_K	244_N	0.568	1.00
207_I	210_V	0.564	1.00
166_K	172_R	0.563	1.00
38_L	89_Y	0.561	1.00
167_A	171_E	0.561	1.00
122_S	125_A	0.557	1.00
237_E	241_K	0.557	1.00
15_I	52_F	0.555	1.00
165_I	170_A	0.554	1.00
48_K	197_A	0.553	1.00
85_E	88_D	0.549	1.00
244_N	247_L	0.549	1.00
147_V	150_I	0.547	1.00
124_I	167_A	0.545	1.00
73_P	77_W	0.544	1.00
149_L	177_N	0.543	1.00
157_E	169_Y	0.543	1.00
104_Y	164_I	0.540	1.00
129_L	159_I	0.538	1.00
195_K	198_E	0.537	1.00
150_I	173_I	0.537	1.00
184_S	191_E	0.537	1.00
161_L	195_K	0.535	1.00
29_I	67_Q	0.533	1.00
143_T	222_G	0.530	1.00
136_I	239_E	0.529	1.00
38_L	50_V	0.529	1.00
47_I	50_V	0.528	1.00
239_E	242_R	0.526	1.00
110_L	175_L	0.524	1.00
132_I	199_K	0.524	1.00
113_A	116_C	0.522	1.00
111_E	145_R	0.521	1.00
129_L	142_G	0.520	1.00
192_L	195_K	0.518	1.00
49_V	197_A	0.516	1.00
22_K	64_D	0.516	1.00
144_Q	148_R	0.515	1.00
156_M	208_K	0.514	1.00
38_L	97_T	0.511	1.00
77_W	231_G	0.510	1.00
22_K	25_S	0.509	1.00
27_N	64_D	0.509	1.00
147_V	214_G	0.508	1.00
154_R	172_R	0.508	1.00
202_I	233_A	0.505	1.00
40_Q	43_D	0.505	1.00
91_E	219_I	0.504	1.00
100_M	193_A	0.504	1.00
65_I	134_L	0.504	1.00
63_A	108_G	0.503	1.00
85_E	89_Y	0.503	1.00
115_S	145_R	0.503	1.00
118_L	196_L	0.503	1.00
78_E	82_K	0.501	1.00
111_E	129_L	0.501	1.00
217_A	222_G	0.501	1.00
107_G	129_L	0.500	1.00
147_V	211_V	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
3kqfA	3	1	100	0.054	Contact Map
3qmjA	3	0.8333	100	0.055	Contact Map
4jfcA	3	0.996	100	0.057	Contact Map
4lk5A	3	0.9683	100	0.059	Contact Map
3tlfA	5	0.996	100	0.06	Contact Map
2ej5A	3	0.9722	100	0.062	Contact Map
4mi2A	3	0.996	100	0.062	Contact Map
3qxzA	3	0.996	100	0.063	Contact Map
4jcsA	6	0.9921	100	0.063	Contact Map
4kd6A	3	0.8452	100	0.063	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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