Q97YL2 - SULSO - GREMLIN Contacts

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Q97YL2 - Enoyl CoA hydratase (PaaF-3)

UniProt:	Q97YL2	Sequences: MGLTELTPKYFKIEVEDGVGIIRLNRPPANAHNLEMLRELDNIIVESRFDENVKALIITSAIPRFFSAGFDINEIKDKSPEYIGLSSQFSKEVMLRMMSTKKLIIASINGHCMGGGLELALACDLRFGANDENIKFGMPEVANLALIPGEGGTQFLARLVGRSKAIYLMITGKTLSPKEAYDLGILDKLVEPEKLFEESLEFARQISRGPSLAVGFAKLAVNEGMDLPLYNAFALEREMQNQALASEDAKEGARAFFEKRRPNFKGK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	267 (248)
Sequences:	30211 (19959)
Seq/√Len:	1267.4

ECOLI - PAAG CAID MENB PAAF SCPB FADB FADJ
BACSU - MENB FADB YNGF PKSH YHAR PKSI
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q97YL2 Q97WU7 Q97VK0 Q7LXQ1 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
135_K	174_T	3.154	1.00
188_K	198_E	3.061	1.00
128_G	186_L	2.945	1.00
132_E	191_E	2.931	1.00
106_A	123_C	2.802	1.00
198_E	201_E	2.760	1.00
21_I	200_L	2.629	1.00
48_R	101_K	2.500	1.00
45_V	96_R	2.493	1.00
12_K	25_N	2.362	1.00
173_K	205_Q	2.347	1.00
228_P	231_N	2.244	1.00
15_V	20_G	2.227	1.00
133_N	192_P	2.220	1.00
179_E	182_D	2.194	1.00
176_S	179_E	2.174	1.00
167_Y	173_K	2.136	1.00
129_A	133_N	2.100	1.00
164_K	183_L	2.043	1.00
15_V	50_D	2.029	1.00
169_M	217_A	2.015	1.00
21_I	59_T	1.994	1.00
143_N	209_G	1.979	1.00
13_I	20_G	1.932	1.00
18_G	54_K	1.904	1.00
107_S	199_S	1.877	1.00
113_M	137_G	1.852	1.00
41_D	96_R	1.847	1.00
25_N	61_A	1.838	1.00
251_E	260_R	1.836	1.00
23_R	61_A	1.825	1.00
107_S	196_F	1.821	1.00
127_F	190_V	1.808	1.00
254_R	258_E	1.781	1.00
35_E	39_E	1.781	1.00
167_Y	187_D	1.751	1.00
20_G	47_S	1.745	1.00
23_R	59_T	1.740	1.00
166_I	222_N	1.729	1.00
132_E	178_K	1.719	1.00
200_L	204_R	1.708	1.00
194_K	197_E	1.700	1.00
56_L	100_T	1.655	1.00
132_E	192_P	1.648	1.00
179_E	183_L	1.641	1.00
124_D	218_K	1.634	1.00
46_E	50_D	1.633	1.00
162_R	166_I	1.577	1.00
194_K	198_E	1.567	1.00
38_R	89_F	1.560	1.00
20_G	53_V	1.557	1.00
178_K	182_D	1.552	1.00
10_Y	39_E	1.542	1.00
127_F	202_F	1.529	1.00
47_S	56_L	1.505	1.00
167_Y	188_K	1.494	1.00
128_G	136_F	1.494	1.00
48_R	96_R	1.481	1.00
126_R	163_S	1.470	1.00
126_R	159_L	1.465	1.00
64_R	109_N	1.465	1.00
120_A	126_R	1.448	1.00
10_Y	33_N	1.446	1.00
166_I	221_V	1.444	1.00
190_V	198_E	1.438	1.00
17_D	204_R	1.424	1.00
129_A	192_P	1.418	1.00
22_I	43_I	1.416	1.00
95_L	230_Y	1.407	1.00
59_T	109_N	1.399	1.00
13_I	47_S	1.392	1.00
166_I	170_I	1.378	1.00
181_Y	189_L	1.376	1.00
16_E	200_L	1.365	1.00
95_L	99_S	1.360	1.00
109_N	129_A	1.359	1.00
55_A	203_A	1.356	1.00
109_N	133_N	1.344	1.00
97_M	104_I	1.342	1.00
108_I	120_A	1.339	1.00
12_K	61_A	1.333	1.00
16_E	204_R	1.333	1.00
98_M	155_F	1.325	1.00
164_K	167_Y	1.320	1.00
216_F	242_Q	1.312	1.00
44_I	100_T	1.311	1.00
108_I	112_C	1.310	1.00
79_S	82_Y	1.309	1.00
173_K	179_E	1.307	1.00
195_L	199_S	1.303	1.00
117_L	138_M	1.291	1.00
168_L	175_L	1.269	1.00
41_D	45_V	1.264	1.00
34_L	74_E	1.263	1.00
16_E	21_I	1.248	1.00
33_N	36_M	1.227	1.00
137_G	174_T	1.224	1.00
219_L	223_E	1.210	1.00
65_F	111_H	1.203	1.00
21_I	196_F	1.202	1.00
141_V	172_G	1.190	1.00
24_L	36_M	1.190	1.00
111_H	135_K	1.189	1.00
163_S	187_D	1.187	1.00
41_D	92_E	1.186	1.00
196_F	199_S	1.183	1.00
249_A	253_A	1.182	1.00
48_R	100_T	1.178	1.00
164_K	179_E	1.170	1.00
14_E	23_R	1.163	1.00
15_V	46_E	1.158	1.00
59_T	196_F	1.143	1.00
227_L	231_N	1.142	1.00
196_F	200_L	1.137	1.00
29_A	73_N	1.133	1.00
39_E	43_I	1.125	1.00
177_P	189_L	1.117	1.00
129_A	195_L	1.087	1.00
175_L	183_L	1.086	1.00
227_L	235_L	1.085	1.00
67_S	116_G	1.082	1.00
24_L	67_S	1.079	1.00
209_G	214_V	1.077	1.00
15_V	52_N	1.077	1.00
223_E	235_L	1.053	1.00
14_E	21_I	1.050	1.00
99_S	230_Y	1.049	1.00
56_L	102_K	1.034	1.00
161_G	164_K	1.034	1.00
26_R	29_A	1.034	1.00
90_S	150_E	1.033	1.00
203_A	207_S	1.029	1.00
10_Y	35_E	1.027	1.00
39_E	42_N	1.019	1.00
42_N	46_E	1.017	1.00
12_K	23_R	1.011	1.00
34_L	38_R	1.011	1.00
125_L	202_F	1.000	1.00
197_E	201_E	0.974	1.00
104_I	123_C	0.973	1.00
160_V	164_K	0.965	1.00
26_R	71_D	0.959	1.00
118_E	152_G	0.952	1.00
200_L	203_A	0.942	1.00
181_Y	186_L	0.940	1.00
212_L	248_D	0.932	1.00
60_S	63_P	0.931	1.00
57_I	199_S	0.931	1.00
21_I	57_I	0.930	1.00
101_K	215_G	0.925	1.00
159_L	163_S	0.917	1.00
43_I	46_E	0.914	1.00
219_L	239_M	0.911	1.00
141_V	217_A	0.906	1.00
191_E	194_K	0.904	1.00
59_T	107_S	0.904	1.00
53_V	102_K	0.900	1.00
211_S	215_G	0.900	1.00
19_V	55_A	0.893	1.00
56_L	104_I	0.892	1.00
231_N	234_A	0.891	1.00
117_L	136_F	0.889	1.00
250_K	254_R	0.888	1.00
178_K	181_Y	0.886	1.00
154_Q	232_A	0.885	1.00
109_N	195_L	0.885	1.00
153_T	236_E	0.884	1.00
129_A	132_E	0.874	1.00
51_E	102_K	0.872	1.00
135_K	176_S	0.867	1.00
108_I	136_F	0.863	1.00
147_I	243_A	0.847	1.00
108_I	126_R	0.843	1.00
216_F	219_L	0.837	1.00
156_L	160_V	0.826	1.00
216_F	239_M	0.826	1.00
37_L	93_V	0.824	1.00
125_L	187_D	0.824	1.00
107_S	195_L	0.819	1.00
235_L	238_E	0.818	1.00
162_R	225_M	0.818	1.00
201_E	205_Q	0.815	1.00
84_G	88_Q	0.814	1.00
132_E	189_L	0.813	1.00
15_V	53_V	0.813	1.00
45_V	49_F	0.805	1.00
41_D	89_F	0.797	1.00
208_R	261_R	0.791	1.00
169_M	221_V	0.788	1.00
129_A	193_E	0.788	1.00
44_I	97_M	0.788	1.00
45_V	92_E	0.786	1.00
118_E	140_E	0.783	1.00
113_M	174_T	0.779	1.00
216_F	243_A	0.777	1.00
34_L	89_F	0.775	1.00
220_A	239_M	0.771	1.00
181_Y	188_K	0.769	1.00
160_V	168_L	0.768	1.00
199_S	203_A	0.768	1.00
48_R	102_K	0.765	1.00
73_N	257_F	0.765	1.00
168_L	183_L	0.765	1.00
65_F	109_N	0.763	1.00
22_I	56_L	0.762	1.00
81_E	85_L	0.761	1.00
10_Y	36_M	0.760	1.00
143_N	174_T	0.751	1.00
114_G	139_P	0.751	1.00
38_R	42_N	0.751	1.00
198_E	202_F	0.750	1.00
47_S	53_V	0.749	1.00
101_K	219_L	0.745	1.00
197_E	200_L	0.742	1.00
206_I	214_V	0.739	1.00
41_D	93_V	0.735	1.00
201_E	204_R	0.728	1.00
50_D	53_V	0.727	1.00
54_K	211_S	0.727	1.00
26_R	33_N	0.725	1.00
13_I	43_I	0.725	1.00
11_F	43_I	0.723	1.00
229_L	233_F	0.722	1.00
205_Q	209_G	0.722	1.00
188_K	202_F	0.718	1.00
177_P	186_L	0.716	1.00
247_E	250_K	0.714	1.00
161_G	165_A	0.711	1.00
223_E	227_L	0.708	1.00
100_T	104_I	0.707	1.00
58_I	123_C	0.707	1.00
253_A	257_F	0.707	1.00
13_I	46_E	0.705	1.00
26_R	31_A	0.704	1.00
94_M	122_A	0.703	1.00
33_N	74_E	0.702	1.00
180_A	185_I	0.701	1.00
235_L	239_M	0.698	1.00
121_L	185_I	0.696	1.00
239_M	242_Q	0.695	1.00
234_A	238_E	0.694	1.00
167_Y	171_T	0.694	1.00
210_P	248_D	0.693	1.00
190_V	195_L	0.691	1.00
154_Q	157_A	0.684	1.00
32_H	36_M	0.681	1.00
108_I	134_I	0.677	1.00
15_V	18_G	0.674	1.00
19_V	57_I	0.673	1.00
204_R	208_R	0.668	1.00
186_L	189_L	0.665	1.00
100_T	103_L	0.663	1.00
127_F	188_K	0.662	1.00
80_P	242_Q	0.661	1.00
47_S	102_K	0.660	1.00
237_R	241_N	0.654	1.00
57_I	107_S	0.654	1.00
18_G	52_N	0.653	1.00
88_Q	92_E	0.653	1.00
140_E	149_G	0.650	1.00
57_I	200_L	0.647	1.00
109_N	192_P	0.646	1.00
171_T	202_F	0.645	1.00
84_G	238_E	0.645	1.00
58_I	104_I	0.644	1.00
140_E	148_P	0.640	1.00
202_F	205_Q	0.640	1.00
127_F	199_S	0.637	1.00
113_M	139_P	0.636	1.00
105_I	203_A	0.636	1.00
148_P	217_A	0.633	1.00
238_E	242_Q	0.633	1.00
136_F	186_L	0.631	1.00
127_F	198_E	0.630	1.00
78_K	82_Y	0.628	1.00
63_P	109_N	0.625	1.00
164_K	181_Y	0.625	1.00
220_A	235_L	0.624	1.00
162_R	222_N	0.623	1.00
140_E	240_Q	0.620	1.00
88_Q	237_R	0.619	1.00
137_G	172_G	0.618	1.00
230_Y	234_A	0.617	1.00
43_I	47_S	0.614	1.00
35_E	38_R	0.613	1.00
147_I	220_A	0.611	1.00
50_D	102_K	0.610	1.00
55_A	105_I	0.603	1.00
40_L	93_V	0.603	1.00
42_N	45_V	0.600	1.00
76_K	254_R	0.598	1.00
251_E	258_E	0.597	1.00
118_E	149_G	0.593	1.00
127_F	195_L	0.592	1.00
36_M	39_E	0.592	1.00
45_V	48_R	0.591	1.00
162_R	221_V	0.590	1.00
178_K	189_L	0.588	1.00
128_G	134_I	0.587	1.00
212_L	246_S	0.578	1.00
170_I	214_V	0.575	1.00
55_A	207_S	0.571	1.00
106_A	126_R	0.570	1.00
54_K	207_S	0.569	1.00
111_H	174_T	0.569	1.00
118_E	151_G	0.567	1.00
217_A	220_A	0.566	1.00
29_A	71_D	0.565	1.00
13_I	22_I	0.565	1.00
247_E	251_E	0.564	1.00
44_I	96_R	0.564	1.00
109_N	134_I	0.560	1.00
251_E	254_R	0.560	1.00
254_R	257_F	0.559	1.00
141_V	209_G	0.558	1.00
167_Y	179_E	0.557	1.00
70_F	75_I	0.557	1.00
19_V	203_A	0.557	1.00
157_A	160_V	0.554	1.00
252_G	255_A	0.554	1.00
251_E	255_A	0.553	1.00
146_L	249_A	0.552	1.00
160_V	165_A	0.552	1.00
177_P	181_Y	0.551	1.00
147_I	217_A	0.550	1.00
153_T	232_A	0.550	1.00
248_D	252_G	0.550	1.00
138_M	169_M	0.549	1.00
19_V	200_L	0.549	1.00
160_V	183_L	0.548	1.00
84_G	241_N	0.546	1.00
129_A	134_I	0.545	1.00
175_L	180_A	0.544	1.00
22_I	58_I	0.544	1.00
176_S	182_D	0.543	1.00
171_T	206_I	0.538	1.00
159_L	187_D	0.537	1.00
53_V	56_L	0.537	1.00
157_A	224_G	0.536	1.00
166_I	218_K	0.535	1.00
120_A	123_C	0.533	1.00
117_L	185_I	0.532	1.00
154_Q	158_R	0.531	1.00
194_K	201_E	0.531	1.00
125_L	206_I	0.530	1.00
22_I	44_I	0.529	1.00
57_I	196_F	0.528	1.00
164_K	182_D	0.527	1.00
80_P	84_G	0.526	1.00
118_E	138_M	0.524	1.00
32_H	115_G	0.519	1.00
133_N	177_P	0.515	1.00
117_L	121_L	0.514	1.00
92_E	95_L	0.513	1.00
10_Y	26_R	0.512	1.00
44_I	104_I	0.510	1.00
212_L	243_A	0.509	1.00
145_A	210_P	0.509	1.00
118_E	155_F	0.509	1.00
167_Y	202_F	0.508	1.00
205_Q	208_R	0.508	1.00
33_N	71_D	0.507	1.00
31_A	68_A	0.506	1.00
98_M	229_L	0.506	1.00
23_R	196_F	0.506	1.00
82_Y	85_L	0.506	1.00
92_E	96_R	0.504	1.00
173_K	188_K	0.504	1.00
72_I	144_L	0.504	1.00
115_G	150_E	0.502	1.00
138_M	152_G	0.501	1.00
114_G	138_M	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
2ppyA	6	0.985	100	0.09	Contact Map
3kqfA	3	0.9625	100	0.101	Contact Map
4mi2A	3	0.9551	100	0.101	Contact Map
3peaA	3	0.9625	100	0.103	Contact Map
4lk5A	3	0.9363	100	0.105	Contact Map
1hzdA	5	0.9775	100	0.107	Contact Map
3hinA	5	0.9625	100	0.108	Contact Map
1nzyA	4	0.9625	100	0.108	Contact Map
3qreA	3	0.7303	100	0.109	Contact Map
4mouA	3	0.9513	100	0.11	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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