Q97VT9 - SULSO - GREMLIN Contacts

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Q97VT9 - 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase (HpcE-1)

UniProt:	Q97VT9	Sequences: MKLISFIRDNRIRSGVLVNDEFIADLNTSCYLMLIEKGEEEQFAERYCNAIVPPDMLGVLQAGDKGFEVVKEILEWSKKRNDILYNINQVKLKAPLVRANMLRDFLAFRGHVEATYKRRGQPIPEEWFRIPIYYKGDPAIFYGHLEEVPWPKYSKLVDIELEIAAIIYKRGKDIDKIRARDYILGFTIFNDFSARDIQMAEMKGLLGPAKGKDFANGLGPWIVTKDELSDIKGLRVYAKVNNEIWCDTKAEDMQWSFEDMIAYVSQDEYIRPGDVFGSGTVSGCTGLDIGKSLKPNSSIELYVEKIGILKNIIVKNHQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	318 (253)
Sequences:	3816 (2537)
Seq/√Len:	159.5

ECOLI - YCGM
BACSU - YISK
HALSA - Q9HQR6
SULSO - Q97VT9 Q97V63 Q97UR1 KDAD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
235_R	247_D	3.621	1.00
175_D	178_R	3.618	1.00
189_F	277_G	3.604	1.00
171_G	174_I	3.123	1.00
164_A	189_F	3.103	1.00
241_N	297_S	3.074	1.00
239_K	244_I	2.947	1.00
174_I	182_Y	2.895	1.00
176_K	262_A	2.846	1.00
256_S	259_D	2.710	1.00
239_K	300_E	2.706	1.00
237_Y	302_Y	2.693	1.00
161_L	238_A	2.629	1.00
178_R	181_D	2.611	1.00
180_R	183_I	2.609	1.00
244_I	247_D	2.579	1.00
186_F	225_K	2.479	1.00
176_K	259_D	2.456	1.00
237_Y	247_D	2.455	1.00
161_L	301_L	2.396	1.00
240_V	293_L	2.255	1.00
159_I	245_W	2.164	1.00
176_K	256_S	2.151	1.00
60_L	184_L	2.149	1.00
189_F	216_N	2.114	1.00
142_Y	146_E	2.100	1.00
213_D	269_Y	2.081	1.00
248_T	252_D	2.063	1.00
171_G	182_Y	2.034	1.00
239_K	302_Y	2.021	1.00
218_L	275_V	1.963	1.00
170_R	271_R	1.926	1.00
170_R	272_P	1.911	1.00
180_R	258_E	1.880	1.00
167_I	261_I	1.864	1.00
55_D	58_G	1.848	1.00
140_I	269_Y	1.819	1.00
164_A	187_T	1.813	1.00
224_T	227_E	1.812	1.00
165_A	257_F	1.801	1.00
187_T	218_L	1.796	1.00
184_L	222_I	1.782	1.00
161_L	236_V	1.781	1.00
86_N	89_Q	1.755	1.00
163_I	303_V	1.691	1.00
240_V	245_W	1.667	1.00
164_A	275_V	1.661	1.00
235_R	304_E	1.628	1.00
237_Y	244_I	1.618	1.00
143_G	146_E	1.615	1.00
154_S	196_D	1.589	1.00
235_R	249_K	1.583	1.00
188_I	303_V	1.574	1.00
91_K	146_E	1.564	1.00
166_I	222_I	1.561	1.00
170_R	182_Y	1.536	1.00
133_Y	264_V	1.535	1.00
245_W	291_K	1.532	1.00
164_A	277_G	1.528	1.00
87_I	92_L	1.507	1.00
187_T	306_I	1.495	1.00
92_L	144_H	1.487	1.00
192_F	217_G	1.457	1.00
228_L	234_L	1.443	1.00
163_I	250_A	1.423	1.00
232_K	258_E	1.422	1.00
148_V	192_F	1.418	1.00
149_P	214_F	1.399	1.00
197_I	212_K	1.369	1.00
104_D	133_Y	1.358	1.00
109_R	113_E	1.357	1.00
59_V	70_V	1.349	1.00
94_A	144_H	1.349	1.00
94_A	141_F	1.342	1.00
85_Y	90_V	1.323	1.00
107_A	260_M	1.313	1.00
53_P	58_G	1.312	1.00
150_W	157_V	1.288	1.00
110_G	252_D	1.281	1.00
135_K	207_G	1.278	1.00
238_A	301_L	1.266	1.00
169_K	272_P	1.262	1.00
165_A	276_F	1.250	1.00
71_K	75_E	1.249	1.00
57_L	61_Q	1.246	1.00
233_G	251_E	1.234	1.00
98_R	271_R	1.233	1.00
139_A	271_R	1.222	1.00
62_A	65_K	1.217	1.00
63_G	66_G	1.215	1.00
63_G	67_F	1.212	1.00
216_N	277_G	1.209	1.00
236_V	240_V	1.207	1.00
77_S	81_N	1.192	1.00
104_D	260_M	1.179	1.00
137_D	211_G	1.176	1.00
152_K	173_D	1.152	1.00
68_E	226_D	1.140	1.00
180_R	232_K	1.136	1.00
172_K	213_D	1.133	1.00
148_V	299_I	1.125	1.00
270_I	276_F	1.123	1.00
287_L	291_K	1.123	1.00
170_R	174_I	1.094	1.00
110_G	282_S	1.093	0.99
154_S	157_V	1.093	0.99
140_I	216_N	1.082	0.99
234_L	240_V	1.072	0.99
131_P	260_M	1.068	0.99
77_S	80_R	1.057	0.99
148_V	215_A	1.057	0.99
183_I	257_F	1.056	0.99
115_T	118_R	1.044	0.99
153_Y	173_D	1.044	0.99
156_L	196_D	1.039	0.99
69_V	72_E	1.037	0.99
103_R	209_A	1.033	0.99
169_K	182_Y	1.030	0.99
188_I	301_L	1.028	0.99
242_N	298_S	1.026	0.99
169_K	181_D	1.022	0.99
229_S	305_K	1.013	0.99
166_I	187_T	0.997	0.99
223_V	306_I	0.992	0.99
168_Y	184_L	0.989	0.99
165_A	186_F	0.975	0.99
234_L	303_V	0.974	0.99
101_M	135_K	0.962	0.99
189_F	218_L	0.962	0.99
234_L	238_A	0.961	0.99
239_K	242_N	0.958	0.99
106_L	115_T	0.957	0.99
56_M	222_I	0.955	0.99
233_G	249_K	0.953	0.99
194_A	215_A	0.948	0.99
62_A	66_G	0.945	0.99
108_F	278_S	0.939	0.98
176_K	258_E	0.934	0.98
67_F	71_K	0.923	0.98
57_L	98_R	0.920	0.98
159_I	293_L	0.920	0.98
193_S	198_Q	0.912	0.98
245_W	287_L	0.912	0.98
165_A	261_I	0.908	0.98
208_P	267_D	0.907	0.98
107_A	281_V	0.905	0.98
243_E	291_K	0.904	0.98
157_V	215_A	0.896	0.98
210_K	266_Q	0.895	0.98
59_V	66_G	0.894	0.98
132_I	206_L	0.893	0.98
158_D	195_R	0.889	0.98
168_Y	272_P	0.887	0.98
111_H	158_D	0.887	0.98
179_A	183_I	0.885	0.98
220_P	223_V	0.884	0.98
174_I	265_S	0.878	0.98
285_T	289_I	0.875	0.98
73_I	76_W	0.867	0.97
64_D	67_F	0.846	0.97
166_I	275_V	0.846	0.97
96_L	166_I	0.846	0.97
238_A	299_I	0.839	0.97
228_L	306_I	0.838	0.97
175_D	262_A	0.834	0.97
156_L	292_S	0.822	0.96
148_V	214_F	0.821	0.96
58_G	62_A	0.820	0.96
157_V	214_F	0.812	0.96
230_D	233_G	0.811	0.96
102_L	135_K	0.802	0.96
137_D	207_G	0.800	0.96
242_N	300_E	0.799	0.96
287_L	290_G	0.798	0.96
285_T	292_S	0.796	0.96
261_I	270_I	0.795	0.96
154_S	194_A	0.793	0.96
66_G	70_V	0.790	0.96
55_D	98_R	0.790	0.96
150_W	295_P	0.788	0.95
232_K	256_S	0.788	0.95
232_K	253_M	0.786	0.95
293_L	299_I	0.784	0.95
116_Y	119_R	0.782	0.95
167_I	270_I	0.781	0.95
66_G	69_V	0.780	0.95
112_V	282_S	0.780	0.95
80_R	83_I	0.778	0.95
250_A	257_F	0.776	0.95
237_Y	304_E	0.771	0.95
240_V	299_I	0.766	0.95
164_A	218_L	0.765	0.95
157_V	295_P	0.763	0.95
106_L	112_V	0.763	0.95
231_I	250_A	0.763	0.95
213_D	266_Q	0.759	0.94
185_G	222_I	0.758	0.94
130_I	200_A	0.754	0.94
69_V	73_I	0.751	0.94
159_I	301_L	0.747	0.94
60_L	96_L	0.747	0.94
236_V	242_N	0.744	0.94
163_I	186_F	0.744	0.94
246_C	283_G	0.740	0.94
234_L	242_N	0.736	0.94
111_H	198_Q	0.732	0.93
87_I	221_W	0.729	0.93
187_T	219_G	0.727	0.93
115_T	193_S	0.727	0.93
63_G	68_E	0.726	0.93
183_I	186_F	0.720	0.93
112_V	123_I	0.720	0.93
255_W	259_D	0.719	0.93
109_R	254_Q	0.718	0.93
164_A	216_N	0.715	0.93
142_Y	214_F	0.714	0.92
201_E	208_P	0.712	0.92
221_W	306_I	0.710	0.92
141_F	218_L	0.707	0.92
151_P	212_K	0.706	0.92
54_P	58_G	0.705	0.92
170_R	269_Y	0.704	0.92
77_S	84_L	0.704	0.92
207_G	212_K	0.703	0.92
201_E	207_G	0.702	0.92
172_K	269_Y	0.702	0.92
64_D	226_D	0.700	0.92
151_P	215_A	0.696	0.92
229_S	232_K	0.695	0.91
94_A	143_G	0.695	0.91
110_G	284_C	0.693	0.91
186_F	231_I	0.687	0.91
61_Q	272_P	0.685	0.91
60_L	67_F	0.685	0.91
187_T	222_I	0.685	0.91
114_A	283_G	0.684	0.91
124_P	255_W	0.679	0.90
111_H	195_R	0.677	0.90
106_L	193_S	0.676	0.90
234_L	250_A	0.674	0.90
181_D	225_K	0.672	0.90
218_L	277_G	0.671	0.90
250_A	304_E	0.668	0.90
175_D	182_Y	0.667	0.90
56_M	59_V	0.665	0.90
194_A	197_I	0.665	0.90
106_L	132_I	0.664	0.90
104_D	264_V	0.662	0.89
178_R	182_Y	0.658	0.89
153_Y	194_A	0.655	0.89
109_R	123_I	0.655	0.89
237_Y	240_V	0.654	0.89
107_A	250_A	0.654	0.89
180_R	225_K	0.654	0.89
141_F	144_H	0.643	0.88
60_L	166_I	0.641	0.88
258_E	262_A	0.641	0.88
262_A	265_S	0.638	0.88
250_A	253_M	0.638	0.88
65_K	68_E	0.637	0.88
186_F	257_F	0.636	0.87
142_Y	215_A	0.636	0.87
72_E	76_W	0.635	0.87
259_D	262_A	0.634	0.87
236_V	239_K	0.631	0.87
212_K	267_D	0.629	0.87
64_D	68_E	0.629	0.87
59_V	63_G	0.628	0.87
54_P	73_I	0.625	0.87
198_Q	205_L	0.624	0.86
108_F	250_A	0.623	0.86
113_E	117_K	0.623	0.86
143_G	220_P	0.623	0.86
99_A	141_F	0.622	0.86
72_E	75_E	0.620	0.86
261_I	276_F	0.620	0.86
241_N	298_S	0.619	0.86
115_T	199_M	0.619	0.86
162_E	280_T	0.618	0.86
100_N	137_D	0.615	0.86
139_A	213_D	0.614	0.86
59_V	67_F	0.613	0.85
138_P	141_F	0.611	0.85
65_K	69_V	0.610	0.85
240_V	270_I	0.607	0.85
156_L	199_M	0.606	0.85
161_L	188_I	0.605	0.85
85_Y	89_Q	0.603	0.85
112_V	254_Q	0.602	0.84
262_A	266_Q	0.601	0.84
60_L	222_I	0.598	0.84
200_A	263_Y	0.596	0.84
115_T	121_Q	0.595	0.84
74_L	77_S	0.593	0.84
155_K	196_D	0.592	0.83
79_K	83_I	0.592	0.83
180_R	257_F	0.591	0.83
240_V	297_S	0.590	0.83
260_M	278_S	0.589	0.83
253_M	260_M	0.587	0.83
174_I	178_R	0.586	0.83
163_I	281_V	0.583	0.83
188_I	306_I	0.580	0.82
51_I	73_I	0.577	0.82
151_P	154_S	0.577	0.82
102_L	268_E	0.576	0.82
257_F	278_S	0.575	0.82
207_G	211_G	0.574	0.82
250_A	278_S	0.571	0.81
261_I	265_S	0.571	0.81
193_S	199_M	0.570	0.81
183_I	225_K	0.570	0.81
51_I	70_V	0.570	0.81
183_I	261_I	0.569	0.81
58_G	61_Q	0.568	0.81
68_E	71_K	0.564	0.80
177_I	262_A	0.564	0.80
52_V	59_V	0.563	0.80
115_T	292_S	0.562	0.80
133_Y	260_M	0.561	0.80
160_E	191_D	0.561	0.80
223_V	228_L	0.560	0.80
157_V	194_A	0.555	0.79
205_L	290_G	0.551	0.79
239_K	247_D	0.551	0.79
192_F	299_I	0.551	0.79
133_Y	263_Y	0.547	0.78
107_A	246_C	0.545	0.78
160_E	280_T	0.543	0.78
112_V	121_Q	0.540	0.77
235_R	240_V	0.538	0.77
149_P	152_K	0.537	0.77
215_A	269_Y	0.536	0.77
264_V	270_I	0.536	0.77
208_P	268_E	0.534	0.77
93_K	143_G	0.533	0.77
174_I	270_I	0.533	0.77
190_N	299_I	0.532	0.76
195_R	198_Q	0.532	0.76
206_L	213_D	0.531	0.76
136_G	216_N	0.530	0.76
112_V	122_P	0.530	0.76
153_Y	294_K	0.530	0.76
234_L	249_K	0.528	0.76
78_K	81_N	0.527	0.76
103_R	211_G	0.527	0.76
238_A	242_N	0.526	0.76
135_K	213_D	0.526	0.76
70_V	74_L	0.525	0.76
253_M	258_E	0.523	0.75
201_E	267_D	0.522	0.75
96_L	272_P	0.522	0.75
114_A	281_V	0.522	0.75
264_V	276_F	0.521	0.75
92_L	95_P	0.520	0.75
118_R	124_P	0.520	0.75
218_L	222_I	0.520	0.75
291_K	294_K	0.519	0.75
80_R	84_L	0.519	0.75
168_Y	182_Y	0.518	0.75
52_V	74_L	0.518	0.75
114_A	284_C	0.518	0.75
271_R	274_D	0.517	0.74
78_K	82_D	0.517	0.74
286_G	289_I	0.516	0.74
112_V	115_T	0.516	0.74
62_A	67_F	0.515	0.74
83_I	86_N	0.513	0.74
102_L	137_D	0.513	0.74
100_N	213_D	0.512	0.74
111_H	191_D	0.512	0.74
102_L	133_Y	0.510	0.73
264_V	268_E	0.509	0.73
184_L	225_K	0.508	0.73
105_F	111_H	0.507	0.73
225_K	261_I	0.505	0.73
233_G	238_A	0.505	0.73
87_I	90_V	0.503	0.72
96_L	99_A	0.502	0.72
103_R	206_L	0.500	0.72

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
3r6oA	2	0.8176	100	0.242	Contact Map
3lzkA	2	0.9214	100	0.255	Contact Map
4qkuA	2	0.9654	100	0.275	Contact Map
4dbfA	2	0.7956	100	0.304	Contact Map
3rr6A	1	0.7925	100	0.309	Contact Map
1hyoA	2	0.9686	100	0.313	Contact Map
1wzoA	4	0.7547	100	0.319	Contact Map
2dfuA	2	0.7516	100	0.332	Contact Map
2q18X	3	0.8428	100	0.338	Contact Map
1gttA	1	0.8994	100	0.371	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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