FADB - BACSU - GREMLIN Contacts

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FADB - Probable enoyl-CoA hydratase

UniProt:	P94549	Sequences: MNAISLAVDQFVAVLTIHNPPANALSSRILEELSSCLDQCETDAGVRSIIIHGEGRFFSAGADIKEFTSLKGNEDSSLLAERGQQLMERIESFPKPIIAAIHGAALGGGLELAMACHIRIAAEDAKLGLPELNLGIIPGFAGTQRLPRYVGTAKALELIGSGEPISGKEALDLGLVSIGAKDEAEVIEKAKALAAKFAEKSPQTLASLLELLYSNKVYSYEGSLKLEAKRFGEAFESEDAKEGIQAFLEKRKPQFKGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	258 (245)
Sequences:	30278 (20054)
Seq/√Len:	1281.2

ECOLI - PAAG PAAF CAID MENB SCPB FADB FADJ
BACSU - FADB YNGF MENB YHAR PKSH PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q97WU7 Q97YL2 Q7LXQ1 Q97VK0 Q97VK1 Q97VS6 Q97VU5 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
123_E	181_K	3.174	1.00
126_K	164_P	3.169	1.00
178_I	189_K	3.059	1.00
121_A	176_V	2.908	1.00
99_A	116_C	2.764	1.00
189_K	192_A	2.756	1.00
14_V	191_K	2.633	1.00
41_E	94_P	2.481	1.00
38_D	89_R	2.441	1.00
163_E	196_K	2.317	1.00
22_A	56_R	2.277	1.00
5_S	18_H	2.248	1.00
169_E	172_D	2.204	1.00
8_V	13_A	2.183	1.00
124_D	182_D	2.180	1.00
219_S	222_G	2.157	1.00
166_S	169_E	2.139	1.00
157_E	163_E	2.114	1.00
154_K	173_L	2.041	1.00
123_E	168_K	2.025	1.00
14_V	52_H	2.020	1.00
8_V	43_D	2.003	1.00
133_N	200_K	1.994	1.00
159_I	208_L	1.990	1.00
22_A	57_F	1.975	1.00
11_F	47_R	1.903	1.00
6_L	13_A	1.885	1.00
242_E	251_R	1.875	1.00
34_S	89_R	1.873	1.00
106_L	128_G	1.872	1.00
100_A	190_A	1.869	1.00
16_T	54_E	1.847	1.00
120_I	180_A	1.837	1.00
28_R	32_E	1.836	1.00
18_H	54_E	1.833	1.00
100_A	187_I	1.809	1.00
245_Q	249_E	1.781	1.00
16_T	52_H	1.757	1.00
156_L	213_Y	1.745	1.00
185_E	188_E	1.731	1.00
13_A	40_C	1.723	1.00
157_E	177_S	1.702	1.00
117_H	209_L	1.668	1.00
49_I	93_F	1.645	1.00
169_E	173_L	1.632	1.00
123_E	182_D	1.623	1.00
152_T	156_L	1.609	1.00
191_K	195_A	1.595	1.00
13_A	46_V	1.581	1.00
180_A	189_K	1.569	1.00
39_Q	43_D	1.562	1.00
168_K	172_D	1.554	1.00
120_I	193_L	1.549	1.00
31_E	82_R	1.545	1.00
121_A	127_L	1.504	1.00
157_E	178_I	1.498	1.00
41_E	89_R	1.494	1.00
40_C	49_I	1.493	1.00
185_E	189_K	1.471	1.00
119_R	153_A	1.442	1.00
113_A	119_R	1.440	1.00
6_L	40_C	1.431	1.00
156_L	160_G	1.424	1.00
122_A	182_D	1.422	1.00
119_R	149_Y	1.421	1.00
15_L	36_C	1.414	1.00
171_L	179_G	1.411	1.00
9_D	191_K	1.405	1.00
88_E	221_E	1.395	1.00
156_L	212_L	1.391	1.00
88_E	92_S	1.386	1.00
101_I	113_A	1.379	1.00
52_H	102_H	1.364	1.00
10_Q	195_A	1.354	1.00
102_H	124_D	1.354	1.00
5_S	54_E	1.345	1.00
102_H	122_A	1.339	1.00
91_E	145_R	1.336	1.00
101_I	105_A	1.334	1.00
37_L	93_F	1.330	1.00
163_E	169_E	1.315	1.00
90_I	97_I	1.311	1.00
34_S	38_D	1.308	1.00
110_L	129_L	1.308	1.00
186_V	190_A	1.303	1.00
158_L	165_I	1.298	1.00
154_K	157_E	1.297	1.00
9_D	14_V	1.285	1.00
9_D	195_A	1.279	1.00
56_R	102_H	1.270	1.00
48_S	194_A	1.263	1.00
26_S	29_I	1.249	1.00
27_S	66_E	1.239	1.00
128_G	164_P	1.236	1.00
34_S	85_Q	1.223	1.00
132_L	162_G	1.210	1.00
187_I	190_A	1.207	1.00
41_E	93_F	1.206	1.00
187_I	191_K	1.204	1.00
210_E	214_S	1.199	1.00
153_A	177_S	1.196	1.00
104_A	126_K	1.191	1.00
14_V	187_I	1.189	1.00
218_Y	222_G	1.186	1.00
200_K	205_L	1.179	1.00
207_S	233_E	1.176	1.00
17_I	29_I	1.174	1.00
52_H	187_I	1.169	1.00
240_A	244_I	1.166	1.00
154_K	169_E	1.163	1.00
32_E	36_C	1.159	1.00
57_F	104_A	1.159	1.00
8_V	45_G	1.156	1.00
167_G	179_G	1.116	1.00
7_A	16_T	1.112	1.00
165_I	173_L	1.099	1.00
17_I	59_S	1.094	1.00
122_A	186_V	1.094	1.00
214_S	226_L	1.078	1.00
92_S	221_E	1.073	1.00
151_G	154_K	1.070	1.00
59_S	109_G	1.066	1.00
8_V	39_Q	1.056	1.00
181_K	185_E	1.046	1.00
188_E	192_A	1.039	1.00
27_S	31_E	1.036	1.00
7_A	14_V	1.031	1.00
83_G	140_F	1.024	1.00
35_S	39_Q	1.014	1.00
32_E	35_S	1.010	1.00
218_Y	226_L	1.007	1.00
49_I	95_K	1.006	1.00
5_S	16_T	1.001	1.00
97_I	116_C	1.001	1.00
118_I	193_L	1.000	1.00
19_N	63_D	0.998	1.00
111_E	142_G	0.990	1.00
194_A	198_A	0.974	1.00
150_V	154_K	0.970	1.00
123_E	179_G	0.954	1.00
203_Q	239_D	0.951	1.00
52_H	100_A	0.945	1.00
36_C	39_Q	0.943	1.00
171_L	176_V	0.931	1.00
55_G	102_H	0.929	1.00
50_I	190_A	0.928	1.00
46_V	95_K	0.927	1.00
149_Y	153_A	0.925	1.00
49_I	97_I	0.923	1.00
168_K	171_L	0.919	1.00
143_T	227_E	0.919	1.00
110_L	127_L	0.909	1.00
210_E	230_R	0.902	1.00
132_L	208_L	0.895	1.00
14_V	50_I	0.895	1.00
222_G	225_K	0.892	1.00
241_K	245_Q	0.891	1.00
126_K	166_S	0.890	1.00
94_P	206_A	0.882	1.00
22_A	60_A	0.875	1.00
101_I	127_L	0.875	1.00
100_A	186_V	0.873	1.00
30_L	86_L	0.870	1.00
12_V	48_S	0.869	1.00
144_Q	223_S	0.868	1.00
44_A	95_K	0.849	1.00
202_P	206_A	0.847	1.00
101_I	119_R	0.845	1.00
226_L	229_K	0.841	1.00
137_I	234_A	0.836	1.00
118_I	177_S	0.836	1.00
190_A	194_A	0.830	1.00
152_T	216_K	0.829	1.00
102_H	186_V	0.827	1.00
8_V	46_V	0.823	1.00
65_K	248_L	0.820	1.00
122_A	184_A	0.817	1.00
191_K	194_A	0.814	1.00
188_E	191_K	0.813	1.00
34_S	82_R	0.811	1.00
106_L	164_P	0.804	1.00
159_I	212_L	0.798	1.00
15_L	49_I	0.795	1.00
37_L	90_I	0.791	1.00
158_L	173_L	0.790	1.00
178_I	193_L	0.790	1.00
38_D	85_Q	0.788	1.00
189_K	193_L	0.787	1.00
211_L	230_R	0.785	1.00
207_S	230_R	0.781	1.00
111_E	131_E	0.781	1.00
150_V	158_L	0.772	1.00
19_N	26_S	0.771	1.00
146_L	150_V	0.771	1.00
171_L	178_I	0.768	1.00
197_F	205_L	0.766	1.00
192_A	196_K	0.766	1.00
157_E	161_S	0.762	1.00
38_D	42_T	0.762	1.00
120_I	178_I	0.759	1.00
31_E	35_S	0.759	1.00
27_S	82_R	0.759	1.00
41_E	95_K	0.758	1.00
71_K	74_E	0.755	1.00
196_K	200_K	0.750	1.00
19_N	24_A	0.747	1.00
51_I	116_C	0.746	1.00
94_P	210_E	0.739	1.00
107_G	130_P	0.736	1.00
170_A	175_L	0.735	1.00
40_C	46_V	0.734	1.00
25_L	29_I	0.734	1.00
26_S	66_E	0.734	1.00
133_N	164_P	0.732	1.00
167_G	176_V	0.731	1.00
230_R	233_E	0.729	1.00
87_M	115_A	0.728	1.00
192_A	195_A	0.727	1.00
93_F	97_I	0.726	1.00
34_S	86_L	0.725	1.00
151_G	155_A	0.723	1.00
207_S	210_E	0.719	1.00
6_L	36_C	0.719	1.00
238_E	241_K	0.718	1.00
57_F	102_H	0.718	1.00
201_S	239_D	0.717	1.00
207_S	234_A	0.716	1.00
226_L	230_R	0.716	1.00
114_M	175_L	0.713	1.00
81_E	85_Q	0.712	1.00
124_D	167_G	0.710	1.00
220_Y	224_L	0.707	1.00
144_Q	147_P	0.704	1.00
244_I	248_L	0.693	1.00
180_A	186_V	0.690	1.00
181_K	184_A	0.687	1.00
176_V	179_G	0.687	1.00
131_E	139_G	0.685	1.00
101_I	125_A	0.683	1.00
202_P	205_L	0.681	1.00
225_K	229_K	0.680	1.00
22_A	104_A	0.678	1.00
47_R	202_P	0.673	1.00
228_A	232_G	0.673	1.00
81_E	228_A	0.671	1.00
195_A	199_E	0.668	1.00
6_L	39_Q	0.666	1.00
152_T	213_Y	0.665	1.00
127_L	176_V	0.663	1.00
137_I	211_L	0.656	1.00
12_V	50_I	0.654	1.00
50_I	191_K	0.654	1.00
43_D	46_V	0.652	1.00
51_I	97_I	0.652	1.00
11_F	45_G	0.651	1.00
106_L	130_P	0.650	1.00
161_S	193_L	0.647	1.00
29_I	32_E	0.644	1.00
120_I	190_A	0.644	1.00
102_H	182_D	0.639	1.00
131_E	138_P	0.638	1.00
128_G	162_G	0.638	1.00
50_I	100_A	0.638	1.00
36_C	40_C	0.637	1.00
203_Q	237_S	0.635	1.00
40_C	95_K	0.634	1.00
28_R	31_E	0.632	1.00
221_E	225_K	0.632	1.00
68_T	245_Q	0.632	1.00
77_S	81_E	0.631	1.00
138_P	208_L	0.631	1.00
229_K	233_E	0.630	1.00
120_I	186_V	0.629	1.00
93_F	96_P	0.627	1.00
193_L	196_K	0.622	1.00
8_V	11_F	0.621	1.00
154_K	171_L	0.621	1.00
121_A	125_A	0.619	1.00
48_S	98_I	0.614	1.00
214_S	218_Y	0.612	1.00
43_D	95_K	0.608	1.00
111_E	139_G	0.607	1.00
168_K	179_G	0.606	1.00
131_E	231_F	0.604	1.00
35_S	38_D	0.602	1.00
12_V	191_K	0.599	1.00
152_T	212_L	0.598	1.00
48_S	198_A	0.596	1.00
38_D	41_E	0.595	1.00
211_L	226_L	0.592	1.00
243_G	246_A	0.591	1.00
99_A	119_R	0.590	1.00
120_I	189_K	0.587	1.00
143_T	223_S	0.586	1.00
242_E	249_E	0.586	1.00
85_Q	88_E	0.586	1.00
33_L	86_L	0.583	1.00
242_E	246_A	0.582	1.00
104_A	164_P	0.580	1.00
98_I	194_A	0.578	1.00
62_A	67_F	0.577	1.00
144_Q	148_R	0.574	1.00
160_G	205_L	0.573	1.00
239_D	243_G	0.573	1.00
208_L	211_L	0.568	1.00
242_E	245_Q	0.568	1.00
47_R	198_A	0.566	1.00
129_L	142_G	0.565	1.00
245_Q	248_L	0.564	1.00
157_E	169_E	0.564	1.00
113_A	116_C	0.564	1.00
167_G	171_L	0.564	1.00
6_L	15_L	0.563	1.00
165_I	170_A	0.563	1.00
136_I	240_A	0.560	1.00
129_L	159_I	0.559	1.00
149_Y	177_S	0.558	1.00
37_L	89_R	0.558	1.00
166_S	172_D	0.554	1.00
238_E	242_E	0.553	1.00
203_Q	234_A	0.550	1.00
150_V	155_A	0.549	1.00
77_S	229_K	0.549	1.00
102_H	125_A	0.549	1.00
111_E	129_L	0.548	1.00
15_L	51_I	0.547	1.00
15_L	37_L	0.547	1.00
161_S	196_K	0.547	1.00
161_S	197_F	0.541	1.00
111_E	141_A	0.540	1.00
110_L	175_L	0.539	1.00
115_A	145_R	0.538	1.00
30_L	34_S	0.537	1.00
150_V	173_L	0.537	1.00
135_G	201_S	0.535	1.00
28_R	66_E	0.535	1.00
12_V	194_A	0.535	1.00
196_K	199_E	0.531	1.00
154_K	172_D	0.531	1.00
122_A	125_A	0.530	1.00
64_I	134_L	0.529	1.00
37_L	97_I	0.528	1.00
77_S	232_G	0.527	1.00
107_G	129_L	0.527	1.00
118_I	197_F	0.526	1.00
170_A	176_V	0.526	1.00
137_I	208_L	0.525	1.00
132_L	200_K	0.524	1.00
182_D	185_E	0.524	1.00
129_L	146_L	0.522	1.00
163_E	178_I	0.522	1.00
78_L	82_R	0.520	1.00
91_E	220_Y	0.519	1.00
85_Q	89_R	0.518	1.00
24_A	60_A	0.518	1.00
185_E	192_A	0.518	1.00
99_A	113_A	0.516	1.00
82_R	85_Q	0.516	1.00
156_L	209_L	0.513	1.00
108_G	140_F	0.512	1.00
100_A	194_A	0.512	1.00
110_L	114_M	0.511	1.00
25_L	108_G	0.509	1.00
46_V	49_I	0.507	1.00
157_E	193_L	0.505	1.00
147_P	150_V	0.504	1.00
147_P	215_N	0.501	1.00
218_Y	223_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
3peaA	3	0.9922	100	0.092	Contact Map
4lk5A	3	0.9574	100	0.095	Contact Map
3kqfA	3	0.9922	100	0.096	Contact Map
3tlfA	5	0.9922	100	0.099	Contact Map
4mi2A	3	0.9922	100	0.099	Contact Map
2ej5A	3	0.9651	100	0.099	Contact Map
3g64A	6	0.9961	100	0.1	Contact Map
4jfcA	3	0.9845	100	0.1	Contact Map
3sllA	6	0.9806	100	0.1	Contact Map
2fbmA	3	0.9496	100	0.101	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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