Q97VW4 - SULSO - GREMLIN Contacts

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Q97VW4 - Maleylacetate reductase (ClcE)

UniProt:	Q97VW4	Sequences: MFKVEYPITQVIYGLNALDWLASVKGKRIALVTTRSLLKSKILEQILSLINAEVIEGPRQHTPVGDVNNLTERLKGYDVVIGLGGGSVIDGIKLSFNGYYIAIPTTFSGAEHTRSGGATIDGIKKSRIGKEADAIILDPRATLETPKWLLIASGVRAIDHAVEALYSKDSTPFTDSLAIEGYKKLVKCIRDLDSIENRALCQIGTWLSSLTMRYAKMGISHNFGYVYGPRFNIPHGVTSCISLPSTIKLNYSVARNKLREIENEGEPLYEFMDKFLKDIGAKRRLSEFTTLDEALKYVQTFIQIVNNSGNPVKIDIETAKRFIEEVF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	327 (291)
Sequences:	13644 (9549)
Seq/√Len:	559.8

ECOLI - FUCO YQHD EUTG ADHE ADH2 GLDA YBDH
BACSU - GBSB YUGJ YUGK G1PDH
HALSA - Q9HNB5 Q9HHR2 G1PDH
SULSO - Q97VW4 G1PDH

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
248_K	273_D	3.342	1.00
15_L	140_R	2.834	1.00
44_E	48_S	2.776	1.00
80_V	92_I	2.747	1.00
191_D	194_S	2.577	1.00
29_I	79_V	2.569	1.00
147_K	151_I	2.563	1.00
99_Y	133_D	2.533	1.00
148_W	237_V	2.531	1.00
26_G	79_V	2.524	1.00
143_L	195_I	2.331	1.00
16_N	140_R	2.308	1.00
291_L	294_A	2.304	1.00
47_L	51_N	2.256	1.00
82_G	92_I	2.221	1.00
188_C	200_L	2.218	1.00
17_A	20_W	2.208	1.00
274_K	278_D	2.185	1.00
89_I	102_A	2.146	1.00
70_L	94_L	2.084	1.00
19_D	45_Q	2.078	1.00
66_D	69_N	2.056	1.00
44_E	47_L	2.048	1.00
152_A	237_V	2.040	1.00
57_G	69_N	2.022	1.00
180_E	183_K	2.021	1.00
36_S	40_S	2.018	1.00
224_G	238_T	1.987	1.00
194_S	197_N	1.979	1.00
20_W	23_S	1.909	1.00
59_R	66_D	1.875	1.00
161_A	181_G	1.873	1.00
196_E	200_L	1.857	1.00
251_Y	266_E	1.847	1.00
277_K	283_R	1.840	1.00
137_L	202_Q	1.834	1.00
284_R	287_E	1.834	1.00
27_K	78_D	1.817	1.00
74_L	98_G	1.807	1.00
64_V	68_N	1.788	1.00
38_L	43_L	1.754	1.00
265_G	268_L	1.752	1.00
247_I	272_M	1.716	1.00
30_A	73_R	1.701	1.00
32_V	92_I	1.645	1.00
30_A	74_L	1.644	1.00
270_E	274_K	1.644	1.00
67_V	91_G	1.642	1.00
29_I	81_I	1.625	1.00
38_L	56_E	1.625	1.00
297_Y	301_F	1.609	1.00
150_L	198_R	1.595	1.00
194_S	198_R	1.581	1.00
294_A	297_Y	1.577	1.00
266_E	270_E	1.550	1.00
48_S	52_A	1.536	1.00
101_I	134_A	1.516	1.00
158_I	182_Y	1.508	1.00
241_I	288_F	1.493	1.00
15_L	195_I	1.489	1.00
69_N	72_E	1.475	1.00
140_R	143_L	1.466	1.00
230_R	297_Y	1.443	1.00
15_L	143_L	1.442	1.00
82_G	100_Y	1.436	1.00
155_V	276_L	1.435	1.00
157_A	185_L	1.435	1.00
67_V	118_A	1.433	1.00
35_R	39_K	1.432	1.00
176_S	180_E	1.429	1.00
89_I	110_A	1.412	1.00
204_G	207_L	1.401	1.00
233_I	238_T	1.396	1.00
203_I	207_L	1.394	1.00
68_N	72_E	1.377	1.00
273_D	277_K	1.377	1.00
271_F	274_K	1.373	1.00
48_S	51_N	1.371	1.00
45_Q	140_R	1.364	1.00
152_A	234_P	1.352	1.00
67_V	71_T	1.346	1.00
142_T	198_R	1.337	1.00
74_L	77_Y	1.336	1.00
297_Y	300_T	1.325	1.00
223_F	242_S	1.323	1.00
193_D	196_E	1.319	1.00
154_G	189_I	1.317	1.00
155_V	281_A	1.315	1.00
59_R	63_P	1.303	1.00
79_V	101_I	1.303	1.00
65_G	68_N	1.302	1.00
251_Y	269_Y	1.299	1.00
18_L	45_Q	1.288	1.00
46_I	83_L	1.287	1.00
35_R	56_E	1.285	1.00
35_R	57_G	1.282	1.00
30_A	77_Y	1.279	1.00
142_T	202_Q	1.272	1.00
248_K	251_Y	1.263	1.00
14_G	20_W	1.256	1.00
71_T	75_K	1.251	1.00
28_R	78_D	1.248	1.00
180_E	184_K	1.233	1.00
244_P	273_D	1.228	1.00
192_L	196_E	1.227	1.00
16_N	19_D	1.214	1.00
146_P	149_L	1.210	1.00
300_T	304_I	1.204	1.00
213_R	217_M	1.200	1.00
36_S	39_K	1.183	1.00
14_G	17_A	1.182	1.00
145_T	149_L	1.179	1.00
82_G	102_A	1.179	1.00
154_G	201_C	1.174	1.00
251_Y	265_G	1.172	1.00
213_R	216_K	1.165	1.00
123_I	126_S	1.161	1.00
233_I	241_I	1.154	1.00
164_A	167_S	1.148	1.00
19_D	49_L	1.145	1.00
18_L	141_A	1.124	1.00
21_L	46_I	1.123	1.00
43_L	47_L	1.114	1.00
195_I	198_R	1.105	1.00
199_A	203_I	1.095	1.00
45_Q	49_L	1.090	1.00
38_L	44_E	1.089	1.00
74_L	80_V	1.087	1.00
17_A	136_I	1.084	1.00
182_Y	186_V	1.080	1.00
224_G	228_G	1.080	1.00
15_L	199_A	1.071	1.00
22_A	49_L	1.069	1.00
72_E	75_K	1.067	1.00
34_T	37_L	1.066	1.00
177_L	181_G	1.063	1.00
248_K	266_E	1.062	1.00
64_V	118_A	1.060	1.00
31_L	47_L	1.058	1.00
69_N	73_R	1.055	1.00
45_Q	48_S	1.054	1.00
32_V	58_P	1.054	1.00
173_F	176_S	1.052	1.00
115_S	128_I	1.049	1.00
12_I	20_W	1.043	1.00
192_L	198_R	1.040	1.00
122_G	126_S	1.038	1.00
140_R	195_I	1.033	1.00
183_K	187_K	1.030	1.00
112_H	135_I	1.024	1.00
201_C	204_G	1.021	1.00
49_L	52_A	1.021	1.00
37_L	40_S	1.010	1.00
201_C	205_T	1.002	1.00
11_V	206_W	0.995	1.00
18_L	103_I	0.992	1.00
38_L	54_V	0.990	1.00
63_P	66_D	0.987	1.00
107_F	150_L	0.986	1.00
220_S	243_L	0.986	1.00
185_L	189_I	0.985	1.00
267_P	270_E	0.983	1.00
31_L	43_L	0.976	1.00
196_E	199_A	0.975	1.00
219_I	243_L	0.960	1.00
192_L	195_I	0.959	1.00
264_E	268_L	0.957	1.00
185_L	188_C	0.956	1.00
301_F	304_I	0.956	1.00
154_G	157_A	0.953	1.00
112_H	206_W	0.952	1.00
283_R	287_E	0.951	1.00
38_L	47_L	0.947	1.00
181_G	185_L	0.944	1.00
230_R	301_F	0.941	1.00
12_I	134_A	0.940	1.00
246_T	250_N	0.935	1.00
179_I	183_K	0.933	1.00
147_K	280_G	0.933	1.00
247_I	269_Y	0.932	1.00
214_Y	217_M	0.932	1.00
202_Q	205_T	0.931	1.00
220_S	239_S	0.930	1.00
200_L	203_I	0.929	1.00
82_G	89_I	0.926	1.00
186_V	189_I	0.925	1.00
79_V	99_Y	0.923	1.00
192_L	197_N	0.922	1.00
26_G	99_Y	0.921	1.00
65_G	69_N	0.919	1.00
190_R	194_S	0.914	1.00
191_D	195_I	0.913	1.00
296_K	300_T	0.912	1.00
296_K	299_Q	0.910	1.00
102_A	132_A	0.909	1.00
175_D	178_A	0.909	1.00
165_L	168_K	0.903	1.00
58_P	91_G	0.902	1.00
184_K	188_C	0.901	1.00
197_N	201_C	0.900	1.00
187_K	200_L	0.899	1.00
143_L	193_D	0.896	1.00
241_I	244_P	0.892	1.00
92_I	100_Y	0.891	1.00
89_I	104_P	0.889	1.00
203_I	206_W	0.887	1.00
274_K	277_K	0.886	1.00
55_I	61_H	0.886	1.00
150_L	192_L	0.885	1.00
248_K	269_Y	0.884	1.00
197_N	200_L	0.882	1.00
155_V	240_C	0.879	1.00
188_C	197_N	0.879	1.00
32_V	94_L	0.876	1.00
240_C	276_L	0.874	1.00
166_Y	170_S	0.873	1.00
244_P	276_L	0.872	1.00
198_R	205_T	0.868	1.00
172_P	175_D	0.866	1.00
231_F	294_A	0.863	1.00
72_E	122_G	0.858	1.00
68_N	71_T	0.852	1.00
16_N	138_D	0.849	1.00
269_Y	273_D	0.848	1.00
171_T	174_T	0.846	1.00
166_Y	169_D	0.845	1.00
164_A	211_T	0.842	1.00
193_D	197_N	0.839	1.00
33_T	38_L	0.837	1.00
61_H	232_N	0.835	1.00
234_P	237_V	0.831	1.00
263_N	267_P	0.830	1.00
67_V	94_L	0.822	1.00
159_D	243_L	0.815	1.00
15_L	139_P	0.812	1.00
198_R	202_Q	0.811	1.00
36_S	57_G	0.810	1.00
193_D	198_R	0.810	1.00
282_K	287_E	0.809	1.00
148_W	152_A	0.806	1.00
221_H	235_H	0.804	1.00
178_A	181_G	0.803	1.00
209_S	212_M	0.800	1.00
18_L	140_R	0.800	1.00
139_P	199_A	0.796	1.00
19_D	140_R	0.793	1.00
34_T	57_G	0.791	1.00
145_T	153_S	0.791	1.00
28_R	76_G	0.787	1.00
182_Y	185_L	0.786	1.00
226_V	301_F	0.786	1.00
198_R	201_C	0.783	1.00
33_T	88_V	0.782	1.00
299_Q	303_Q	0.774	1.00
108_S	157_A	0.774	1.00
223_F	245_S	0.773	1.00
32_V	70_L	0.768	1.00
61_H	87_S	0.767	1.00
270_E	273_D	0.766	1.00
154_G	279_I	0.765	1.00
170_S	174_T	0.764	1.00
42_I	83_L	0.763	1.00
114_R	130_K	0.761	1.00
245_S	248_K	0.760	1.00
224_G	239_S	0.759	1.00
223_F	298_V	0.757	1.00
37_L	42_I	0.753	1.00
205_T	209_S	0.753	1.00
195_I	199_A	0.751	1.00
181_G	188_C	0.749	1.00
55_I	70_L	0.748	1.00
292_D	295_L	0.748	1.00
18_L	138_D	0.741	1.00
190_R	278_D	0.739	1.00
35_R	38_L	0.738	1.00
186_V	271_F	0.736	1.00
177_L	180_E	0.733	1.00
22_A	53_E	0.731	1.00
185_L	201_C	0.728	1.00
21_L	103_I	0.726	1.00
162_V	268_L	0.723	1.00
70_L	91_G	0.721	1.00
219_I	246_T	0.721	1.00
149_L	152_A	0.720	1.00
147_K	190_R	0.715	1.00
67_V	117_G	0.714	1.00
102_A	135_I	0.708	1.00
161_A	208_S	0.706	1.00
80_V	98_G	0.705	1.00
243_L	276_L	0.705	1.00
29_I	78_D	0.701	1.00
273_D	283_R	0.699	1.00
158_I	162_V	0.699	1.00
190_R	197_N	0.698	1.00
200_L	205_T	0.698	1.00
176_S	183_K	0.696	1.00
174_T	178_A	0.696	1.00
195_I	202_Q	0.692	1.00
151_I	280_G	0.691	1.00
293_E	296_K	0.690	1.00
227_Y	238_T	0.689	1.00
200_L	204_G	0.688	1.00
122_G	232_N	0.688	1.00
190_R	193_D	0.685	1.00
191_D	198_R	0.682	1.00
158_I	279_I	0.674	1.00
121_D	125_K	0.674	1.00
12_I	17_A	0.673	1.00
80_V	95_S	0.671	1.00
55_I	66_D	0.669	1.00
202_Q	206_W	0.668	1.00
19_D	52_A	0.664	1.00
55_I	88_V	0.663	1.00
172_P	176_S	0.662	1.00
247_I	268_L	0.660	1.00
177_L	207_L	0.655	1.00
167_S	170_S	0.655	1.00
225_Y	305_V	0.651	1.00
218_G	225_Y	0.649	1.00
61_H	66_D	0.647	1.00
184_K	189_I	0.646	1.00
142_T	150_L	0.645	1.00
169_D	216_K	0.641	1.00
171_T	175_D	0.640	1.00
21_L	136_I	0.639	1.00
192_L	199_A	0.637	1.00
148_W	234_P	0.636	1.00
82_G	88_V	0.635	1.00
120_I	127_R	0.634	1.00
37_L	43_L	0.631	1.00
45_Q	141_A	0.629	1.00
121_D	126_S	0.629	1.00
159_D	220_S	0.628	1.00
126_S	129_G	0.624	1.00
181_G	184_K	0.623	1.00
169_D	173_F	0.621	1.00
240_C	281_A	0.621	1.00
81_I	101_I	0.620	1.00
151_I	154_G	0.620	1.00
70_L	73_R	0.618	1.00
151_I	281_A	0.618	1.00
59_R	69_N	0.613	1.00
219_I	222_N	0.612	1.00
248_K	252_S	0.612	1.00
166_Y	247_I	0.611	1.00
107_F	202_Q	0.611	1.00
162_V	272_M	0.609	1.00
32_V	88_V	0.607	1.00
188_C	196_E	0.604	1.00
49_L	53_E	0.602	1.00
264_E	267_P	0.602	1.00
277_K	287_E	0.602	1.00
298_V	302_I	0.598	1.00
28_R	77_Y	0.595	1.00
217_M	225_Y	0.595	1.00
184_K	200_L	0.594	1.00
55_I	69_N	0.593	1.00
17_A	21_L	0.592	1.00
13_Y	199_A	0.591	1.00
199_A	205_T	0.591	1.00
63_P	232_N	0.589	1.00
120_I	123_I	0.587	1.00
239_S	242_S	0.586	1.00
254_A	263_N	0.582	1.00
42_I	141_A	0.582	1.00
182_Y	188_C	0.580	1.00
26_G	78_D	0.580	1.00
100_Y	133_D	0.579	1.00
44_E	51_N	0.577	1.00
244_P	248_K	0.577	1.00
169_D	172_P	0.576	0.99
276_L	281_A	0.575	0.99
12_I	23_S	0.574	0.99
164_A	175_D	0.573	0.99
42_I	45_Q	0.573	0.99
301_F	305_V	0.572	0.99
18_L	46_I	0.571	0.99
219_I	272_M	0.571	0.99
295_L	299_Q	0.569	0.99
290_T	295_L	0.569	0.99
164_A	178_A	0.568	0.99
272_M	276_L	0.566	0.99
26_G	29_I	0.563	0.99
267_P	271_F	0.563	0.99
46_I	49_L	0.561	0.99
175_D	179_I	0.559	0.99
147_K	150_L	0.559	0.99
34_T	40_S	0.559	0.99
277_K	280_G	0.558	0.99
181_G	208_S	0.556	0.99
13_Y	203_I	0.555	0.99
107_F	142_T	0.554	0.99
66_D	91_G	0.554	0.99
165_L	169_D	0.554	0.99
237_V	282_K	0.552	0.99
33_T	56_E	0.552	0.99
158_I	275_F	0.551	0.99
273_D	284_R	0.549	0.99
299_Q	302_I	0.548	0.99
268_L	272_M	0.546	0.99
208_S	212_M	0.545	0.99
223_F	226_V	0.545	0.99
103_I	136_I	0.544	0.99
206_W	210_L	0.543	0.99
149_L	234_P	0.542	0.99
14_G	139_P	0.542	0.99
212_M	217_M	0.538	0.99
156_R	235_H	0.537	0.99
162_V	243_L	0.536	0.99
200_L	207_L	0.536	0.99
188_C	201_C	0.534	0.99
31_L	83_L	0.533	0.99
80_V	96_F	0.528	0.99
161_A	178_A	0.527	0.99
210_L	216_K	0.525	0.99
24_V	134_A	0.523	0.99
185_L	204_G	0.521	0.99
230_R	294_A	0.520	0.99
36_S	61_H	0.519	0.99
33_T	37_L	0.517	0.99
19_D	48_S	0.516	0.99
194_S	201_C	0.516	0.99
47_L	54_V	0.511	0.99
169_D	174_T	0.510	0.99
155_V	243_L	0.509	0.99
199_A	202_Q	0.507	0.99
159_D	239_S	0.507	0.99
191_D	197_N	0.507	0.99
127_R	130_K	0.506	0.99
244_P	247_I	0.505	0.99
294_A	298_V	0.504	0.99
228_G	238_T	0.504	0.99
40_S	43_L	0.504	0.99
73_R	77_Y	0.502	0.99
275_F	279_I	0.501	0.99
156_R	221_H	0.500	0.99

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
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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
3bfjA	5	0.9969	100	0.169	Contact Map
3ox4A	2	0.9969	100	0.169	Contact Map
1rrmA	2	0.9969	100	0.175	Contact Map
3zdrA	2	1	100	0.182	Contact Map
1vljA	2	1	100	0.182	Contact Map
3iv7A	2	0.9939	100	0.184	Contact Map
4fr2A	2	0.9969	100	0.187	Contact Map
3w5sA	2	0.9908	100	0.195	Contact Map
4qgsA	2	0.9817	100	0.197	Contact Map
3jzdA	3	0.9908	100	0.199	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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