Q97WU7 - SULSO - GREMLIN Contacts

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Q97WU7 - Enoyl CoA hydratase (PaaF-4)

UniProt:	Q97WU7	Sequences: MRLMGLSELNPKYFKIEVEDGVGIIKLNRSPANAHNLEMLRELDNIIVESRFDQNVKAILITSNIPRFFSAGFDINEIKDKSPEYIGLSSQFSKEVMLRMMSTKKLIIASINGHCMGGGLELALASDLRFGANDENIKFGMPEVANLALIPGEGGTQFLARLVGRSKAIYLIVTGKTLSPKEAYELGILDRLIEPEKLFEESFEFARQVAKGPSLAVGFTKLAVNEGMDLPWYNAFALEREMQNQALASEDAKEGARAFFEKRRPVFKGK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	270 (248)
Sequences:	30191 (19990)
Seq/√Len:	1269.3

ECOLI - PAAG PAAF MENB CAID SCPB FADJ FADB
BACSU - MENB FADB YNGF PKSH YHAR PKSI
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q97WU7 Q97YL2 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
138_K	177_T	3.202	1.00
191_R	201_E	3.026	1.00
131_G	189_L	2.973	1.00
135_E	194_E	2.963	1.00
109_A	126_S	2.866	1.00
201_E	204_E	2.717	1.00
24_I	203_F	2.642	1.00
51_R	104_K	2.538	1.00
48_V	99_R	2.521	1.00
176_K	208_Q	2.360	1.00
15_K	28_N	2.283	1.00
231_P	234_N	2.255	1.00
18_V	23_G	2.234	1.00
182_E	185_E	2.212	1.00
136_N	195_P	2.202	1.00
179_S	182_E	2.177	1.00
132_A	136_N	2.118	1.00
170_Y	176_K	2.093	1.00
24_I	62_T	2.058	1.00
167_K	186_L	2.044	1.00
18_V	53_D	2.023	1.00
146_N	212_G	1.967	1.00
21_G	57_K	1.940	1.00
44_D	99_R	1.922	1.00
16_I	23_G	1.916	1.00
110_S	202_S	1.890	1.00
28_N	64_N	1.888	1.00
172_I	220_T	1.880	1.00
26_K	64_N	1.870	1.00
116_M	140_G	1.844	1.00
257_R	261_E	1.825	1.00
38_E	42_E	1.812	1.00
130_F	193_I	1.807	1.00
110_S	199_F	1.797	1.00
254_E	263_R	1.791	1.00
26_K	62_T	1.780	1.00
197_K	200_E	1.779	1.00
23_G	50_S	1.745	1.00
169_I	225_N	1.739	1.00
203_F	207_R	1.730	1.00
135_E	181_K	1.726	1.00
170_Y	190_D	1.705	1.00
59_I	103_T	1.658	1.00
182_E	186_L	1.641	1.00
135_E	195_P	1.620	1.00
23_G	56_V	1.612	1.00
165_R	169_I	1.608	1.00
41_R	92_F	1.604	1.00
13_Y	42_E	1.590	1.00
197_K	201_E	1.579	1.00
49_E	53_D	1.573	1.00
181_K	185_E	1.569	1.00
130_F	205_F	1.538	1.00
50_S	59_I	1.521	1.00
127_D	221_K	1.517	1.00
13_Y	36_N	1.512	1.00
132_A	195_P	1.483	1.00
170_Y	191_R	1.478	1.00
193_I	201_E	1.477	1.00
129_R	166_S	1.475	1.00
131_G	139_F	1.465	1.00
123_A	129_R	1.456	1.00
25_I	46_I	1.446	1.00
51_R	99_R	1.446	1.00
169_I	224_V	1.442	1.00
67_R	112_N	1.435	1.00
129_R	162_L	1.425	1.00
98_L	102_S	1.423	1.00
98_L	233_Y	1.402	1.00
16_I	50_S	1.385	1.00
169_I	173_V	1.383	1.00
112_N	132_A	1.375	1.00
111_I	123_A	1.375	1.00
15_K	64_N	1.372	1.00
112_N	136_N	1.363	1.00
20_D	207_R	1.362	1.00
184_Y	192_L	1.361	1.00
19_E	203_F	1.358	1.00
111_I	115_C	1.347	1.00
100_M	107_I	1.333	1.00
44_D	48_V	1.329	1.00
62_T	112_N	1.320	1.00
47_I	103_T	1.319	1.00
101_M	158_F	1.307	1.00
167_K	170_Y	1.296	1.00
120_L	141_M	1.293	1.00
19_E	207_R	1.289	1.00
171_L	178_L	1.286	1.00
19_E	24_I	1.285	1.00
82_S	85_Y	1.276	1.00
37_L	77_E	1.276	1.00
176_K	182_E	1.266	1.00
198_L	202_S	1.251	1.00
68_F	114_H	1.246	1.00
58_A	206_A	1.233	1.00
166_S	190_D	1.221	1.00
51_R	103_T	1.219	1.00
140_G	177_T	1.214	1.00
219_F	245_Q	1.210	1.00
114_H	138_K	1.209	1.00
44_D	95_E	1.208	1.00
199_F	202_S	1.205	1.00
230_L	234_N	1.200	1.00
36_N	39_M	1.196	1.00
17_E	26_K	1.196	1.00
222_L	226_E	1.194	1.00
24_I	199_F	1.192	1.00
252_A	256_A	1.185	1.00
27_L	39_M	1.180	1.00
18_V	55_N	1.175	1.00
167_K	182_E	1.169	1.00
144_V	175_G	1.164	1.00
42_E	46_I	1.140	1.00
18_V	49_E	1.133	1.00
62_T	199_F	1.126	1.00
199_F	203_F	1.121	1.00
212_G	217_V	1.117	1.00
180_P	192_L	1.117	1.00
32_A	76_N	1.115	1.00
230_L	238_L	1.113	1.00
178_L	186_L	1.107	1.00
132_A	198_L	1.097	1.00
226_E	238_L	1.066	1.00
15_K	26_K	1.065	1.00
37_L	41_R	1.062	1.00
27_L	70_S	1.057	1.00
17_E	24_I	1.052	1.00
70_S	119_G	1.051	1.00
102_S	233_Y	1.050	1.00
13_Y	38_E	1.048	1.00
29_R	32_A	1.041	1.00
42_E	45_N	1.041	1.00
93_S	153_E	1.038	1.00
59_I	105_K	1.033	1.00
45_N	49_E	1.023	1.00
164_G	167_K	1.016	1.00
163_V	167_K	0.999	1.00
128_L	205_F	0.989	1.00
206_A	210_A	0.986	1.00
107_I	126_S	0.980	1.00
222_L	242_M	0.954	1.00
200_E	204_E	0.953	1.00
121_E	155_G	0.942	1.00
162_L	166_S	0.941	1.00
181_K	184_Y	0.941	1.00
46_I	49_E	0.939	1.00
29_R	74_D	0.936	1.00
62_T	110_S	0.935	1.00
203_F	206_A	0.929	1.00
184_Y	189_L	0.928	1.00
215_L	251_D	0.928	1.00
60_L	202_S	0.927	1.00
234_N	237_A	0.915	1.00
253_K	257_R	0.915	1.00
120_L	139_F	0.913	1.00
22_V	58_A	0.904	1.00
104_K	218_G	0.904	1.00
138_K	179_S	0.898	1.00
214_S	218_G	0.898	1.00
59_I	107_I	0.896	1.00
24_I	60_L	0.895	1.00
194_E	197_K	0.887	1.00
56_V	105_K	0.886	1.00
110_S	198_L	0.884	1.00
157_Q	235_A	0.884	1.00
63_S	66_P	0.882	1.00
87_G	91_Q	0.878	1.00
132_A	135_E	0.873	1.00
165_R	228_M	0.865	1.00
112_N	198_L	0.860	1.00
238_L	241_E	0.851	1.00
111_I	139_F	0.846	1.00
150_I	246_A	0.840	1.00
144_V	220_T	0.839	1.00
54_Q	105_K	0.838	1.00
135_E	192_L	0.834	1.00
156_T	239_E	0.829	1.00
44_D	92_F	0.819	1.00
211_K	264_R	0.819	1.00
18_V	56_V	0.818	1.00
132_A	196_E	0.817	1.00
40_L	96_V	0.814	1.00
48_V	52_F	0.812	1.00
47_I	100_M	0.804	1.00
116_M	177_T	0.801	1.00
171_L	186_L	0.800	1.00
184_Y	191_R	0.798	1.00
159_L	163_V	0.798	1.00
128_L	190_D	0.798	1.00
111_I	129_R	0.786	1.00
172_I	224_V	0.784	1.00
51_R	105_K	0.779	1.00
41_R	45_N	0.778	1.00
37_L	92_F	0.778	1.00
13_Y	39_M	0.775	1.00
219_F	242_M	0.774	1.00
163_V	171_L	0.769	1.00
223_A	242_M	0.764	1.00
25_I	59_I	0.764	1.00
201_E	205_F	0.764	1.00
208_Q	212_G	0.759	1.00
76_N	260_F	0.758	1.00
202_S	206_A	0.748	1.00
204_E	208_Q	0.748	1.00
146_N	177_T	0.747	1.00
48_V	95_E	0.742	1.00
50_S	56_V	0.741	1.00
238_L	242_M	0.741	1.00
121_E	143_E	0.741	1.00
200_E	203_F	0.739	1.00
14_F	46_I	0.737	1.00
68_F	112_N	0.736	1.00
97_M	125_A	0.734	1.00
209_V	217_V	0.733	1.00
204_E	207_R	0.732	1.00
84_E	88_L	0.730	1.00
232_W	236_F	0.729	1.00
103_T	107_I	0.729	1.00
219_F	222_L	0.726	1.00
44_D	96_V	0.725	1.00
29_R	36_N	0.724	1.00
16_I	46_I	0.723	1.00
207_R	211_K	0.720	1.00
104_K	222_L	0.719	1.00
250_E	253_K	0.719	1.00
242_M	245_Q	0.718	1.00
213_P	251_D	0.710	1.00
191_R	205_F	0.708	1.00
29_R	34_A	0.707	1.00
180_P	189_L	0.707	1.00
170_Y	174_T	0.706	1.00
219_F	246_A	0.704	1.00
157_Q	160_A	0.703	1.00
61_I	126_S	0.703	1.00
226_E	230_L	0.702	1.00
36_N	77_E	0.701	1.00
124_L	188_I	0.699	1.00
16_I	49_E	0.699	1.00
256_A	260_F	0.699	1.00
237_A	241_E	0.694	1.00
91_Q	95_E	0.693	1.00
35_H	39_M	0.686	1.00
205_F	208_Q	0.686	1.00
164_G	168_A	0.686	1.00
57_K	214_S	0.684	1.00
22_V	60_L	0.682	1.00
117_G	142_P	0.676	1.00
165_R	225_N	0.673	1.00
150_I	223_A	0.669	1.00
183_A	188_I	0.666	1.00
111_I	137_I	0.664	1.00
174_T	205_F	0.662	1.00
130_F	191_R	0.661	1.00
214_S	217_V	0.658	1.00
189_L	192_L	0.658	1.00
81_K	85_Y	0.656	1.00
87_G	241_E	0.656	1.00
21_G	55_N	0.655	1.00
91_Q	240_R	0.652	1.00
61_I	107_I	0.652	1.00
193_I	198_L	0.650	1.00
38_E	41_R	0.650	1.00
240_R	244_N	0.646	1.00
18_V	21_G	0.645	1.00
241_E	245_Q	0.640	1.00
60_L	110_S	0.639	1.00
167_K	184_Y	0.639	1.00
233_Y	237_A	0.636	1.00
103_T	106_L	0.635	1.00
46_I	50_S	0.635	1.00
79_K	257_R	0.633	1.00
139_F	189_L	0.633	1.00
83_P	245_Q	0.629	1.00
223_A	238_L	0.627	1.00
143_E	152_G	0.625	1.00
130_F	202_S	0.620	1.00
48_V	51_R	0.619	1.00
140_G	175_G	0.619	1.00
60_L	203_F	0.614	1.00
215_L	249_S	0.613	1.00
50_S	105_K	0.613	1.00
130_F	201_E	0.612	1.00
58_A	108_I	0.610	1.00
43_L	96_V	0.604	1.00
66_P	112_N	0.602	1.00
58_A	210_A	0.602	1.00
45_N	48_V	0.602	1.00
53_D	56_V	0.600	1.00
143_E	151_P	0.599	1.00
151_P	220_T	0.599	1.00
57_K	210_A	0.598	1.00
116_M	142_P	0.595	1.00
39_M	42_E	0.595	1.00
73_F	78_I	0.595	1.00
114_H	177_T	0.594	1.00
32_A	74_D	0.594	1.00
109_A	129_R	0.594	1.00
181_K	192_L	0.592	1.00
131_G	137_I	0.592	1.00
16_I	25_I	0.588	1.00
112_N	195_P	0.581	1.00
250_E	254_E	0.577	1.00
143_E	243_Q	0.576	1.00
173_V	217_V	0.573	1.00
165_R	224_V	0.571	1.00
149_L	252_A	0.567	1.00
22_V	203_F	0.567	1.00
257_R	260_F	0.564	1.00
254_E	257_R	0.564	1.00
130_F	198_L	0.562	1.00
170_Y	182_E	0.557	1.00
53_D	105_K	0.556	1.00
25_I	61_I	0.555	1.00
254_E	258_A	0.555	1.00
87_G	244_N	0.553	1.00
95_E	98_L	0.553	1.00
174_T	209_V	0.551	1.00
178_L	183_A	0.550	1.00
141_M	172_I	0.549	1.00
47_I	99_R	0.549	1.00
128_L	209_V	0.548	1.00
220_T	223_A	0.547	1.00
88_L	92_F	0.545	1.00
144_V	212_G	0.544	1.00
162_L	190_D	0.543	1.00
108_I	206_A	0.542	1.00
121_E	154_G	0.541	1.00
121_E	152_G	0.540	1.00
123_A	126_S	0.538	1.00
251_D	255_G	0.538	1.00
163_V	168_A	0.538	1.00
156_T	235_A	0.537	1.00
197_K	204_E	0.537	1.00
208_Q	211_K	0.534	1.00
13_Y	29_R	0.534	1.00
176_K	191_R	0.534	1.00
163_V	186_L	0.532	1.00
38_E	77_E	0.531	1.00
120_L	188_I	0.529	1.00
157_Q	161_R	0.529	1.00
132_A	137_I	0.528	1.00
179_S	185_E	0.528	1.00
167_K	185_E	0.528	1.00
35_H	118_G	0.527	1.00
169_I	221_K	0.527	1.00
215_L	246_A	0.524	1.00
255_G	258_A	0.524	1.00
180_P	184_Y	0.522	1.00
83_P	87_G	0.522	1.00
112_N	137_I	0.521	1.00
47_I	107_I	0.519	1.00
95_E	99_R	0.518	1.00
230_L	235_A	0.516	1.00
120_L	124_L	0.516	1.00
121_E	141_M	0.514	1.00
170_Y	205_F	0.513	1.00
136_N	180_P	0.511	1.00
36_N	74_D	0.511	1.00
75_I	147_L	0.510	1.00
34_A	71_A	0.509	1.00
60_L	199_F	0.508	1.00
174_T	208_Q	0.507	1.00
22_V	206_A	0.506	1.00
49_E	52_F	0.506	1.00
40_L	44_D	0.505	1.00
25_I	47_I	0.503	1.00
160_A	163_V	0.503	1.00
160_A	227_G	0.502	1.00
141_M	155_G	0.501	1.00
109_A	123_A	0.500	1.00
141_M	159_L	0.500	1.00
254_E	261_E	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	0.9741	100	0.103	Contact Map
3kqfA	3	0.9519	100	0.109	Contact Map
4lk5A	3	0.9259	100	0.11	Contact Map
3peaA	3	0.9519	100	0.111	Contact Map
4mi2A	3	0.9444	100	0.115	Contact Map
4og1A	3	0.9074	100	0.116	Contact Map
4k3wA	3	0.9444	100	0.118	Contact Map
1nzyA	4	0.9519	100	0.118	Contact Map
2ej5A	3	0.9259	100	0.119	Contact Map
2fbmA	3	0.9074	100	0.119	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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