GHRA - ECOLI - GREMLIN Contacts

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GHRA - Glyoxylate/hydroxypyruvate reductase A

UniProt:	P75913	Sequences: MDIIFYHPTFDTQWWIEALRKAIPQARVRAWKSGDNDSADYALVWHPPVEMLAGRDLKAVFALGAGVDSILSKLQAHPEMLNPSVPLFRLEDTGMGEQMQEYAVSQVLHWFRRFDDYRIQQNSSHWQPLPEYHREDFTIGILGAGVLGSKVAQSLQTWRFPLRCWSRTRKSWPGVQSFAGREELSAFLSQCRVLINLLPNTPETVGIINQQLLEKLPDGAYLLNLARGVHVVEDDLLAALDSGKVKGAMLDVFNREPLPPESPLWQHPRVTITPHVAAITRPAEAVEYISRTIAQLEKGERVCGQVDRARGY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13869
Length:	312 (271)
Sequences:	19597 (13395)
Seq/√Len:	813.7

ECOLI - GHRA SERA GHRB LDHD PDXB
BACSU - TKRA SERA YOAD
HALSA - Q9HMR0 Q9HSS1 Q9HPW9
SULSO - Q97ZK1 Q97U35

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
209_N	212_L	4.400	1.00
210_Q	238_A	3.239	1.00
232_V	235_D	3.069	1.00
139_I	155_L	2.744	1.00
241_D	267_H	2.488	1.00
138_T	161_P	2.469	1.00
200_N	229_V	2.441	1.00
40_D	58_K	2.414	1.00
185_S	215_K	2.337	1.00
138_T	163_R	2.264	1.00
218_D	244_K	2.229	1.00
188_L	212_L	2.196	1.00
140_G	187_F	2.193	1.00
144_A	164_C	2.083	1.00
163_R	190_Q	2.068	1.00
189_S	215_K	2.054	1.00
118_R	122_N	2.044	1.00
206_G	254_N	2.024	1.00
183_E	186_A	1.997	1.00
104_V	155_L	1.975	1.00
49_V	82_N	1.932	1.00
295_Q	300_E	1.924	1.00
113_R	116_D	1.904	1.00
214_E	244_K	1.902	1.00
111_F	193_V	1.895	1.00
38_S	56_D	1.883	1.00
238_A	242_S	1.866	1.00
59_A	88_F	1.863	1.00
140_G	191_C	1.851	1.00
150_K	153_Q	1.821	1.00
206_G	232_V	1.785	1.00
105_S	114_F	1.776	1.00
220_A	245_V	1.773	1.00
208_I	213_L	1.772	1.00
49_V	53_A	1.767	1.00
221_Y	247_G	1.749	1.00
222_L	231_V	1.731	1.00
241_D	263_P	1.722	1.00
185_S	212_L	1.711	1.00
107_V	193_V	1.709	1.00
237_L	267_H	1.689	1.00
104_V	158_W	1.679	1.00
86_P	305_Q	1.675	1.00
79_E	82_N	1.674	1.00
210_Q	214_E	1.662	1.00
213_L	239_A	1.619	1.00
141_I	148_G	1.614	1.00
106_Q	249_M	1.613	1.00
186_A	190_Q	1.590	1.00
139_I	160_F	1.581	1.00
267_H	270_V	1.577	1.00
109_H	115_D	1.563	1.00
192_R	217_P	1.562	1.00
102_Y	277_A	1.559	1.00
202_P	205_V	1.547	1.00
236_L	248_A	1.534	1.00
233_E	254_N	1.529	1.00
208_I	212_L	1.529	1.00
200_N	205_V	1.510	1.00
132_Y	137_F	1.509	1.00
97_E	135_E	1.492	1.00
137_F	282_P	1.480	1.00
216_L	220_A	1.474	1.00
53_A	83_P	1.470	1.00
211_Q	215_K	1.467	1.00
155_L	160_F	1.462	1.00
188_L	208_I	1.453	1.00
294_A	298_K	1.452	1.00
237_L	241_D	1.434	1.00
151_V	197_L	1.427	1.00
110_W	247_G	1.426	1.00
101_E	154_S	1.421	1.00
80_M	87_L	1.414	1.00
210_Q	235_D	1.403	1.00
196_N	230_H	1.388	1.00
221_Y	246_K	1.377	1.00
133_H	284_E	1.371	1.00
150_K	154_S	1.365	1.00
295_Q	303_C	1.362	1.00
212_L	215_K	1.361	1.00
103_A	151_V	1.356	1.00
141_I	195_I	1.349	1.00
119_I	122_N	1.348	1.00
197_L	225_L	1.345	1.00
40_D	56_D	1.333	1.00
205_V	229_V	1.330	1.00
226_A	230_H	1.301	1.00
97_E	150_K	1.293	1.00
161_P	190_Q	1.285	1.00
198_L	230_H	1.263	1.00
196_N	222_L	1.252	1.00
291_R	295_Q	1.239	1.00
141_I	152_A	1.231	1.00
119_I	123_S	1.223	1.00
187_F	191_C	1.223	1.00
52_L	83_P	1.222	1.00
95_M	278_A	1.218	1.00
79_E	83_P	1.217	1.00
287_E	291_R	1.212	1.00
161_P	180_G	1.207	1.00
41_Y	59_A	1.201	1.00
103_A	225_L	1.200	1.00
110_W	221_Y	1.186	1.00
102_Y	106_Q	1.185	1.00
120_Q	125_H	1.183	1.00
253_F	272_I	1.181	1.00
142_L	198_L	1.172	1.00
49_V	79_E	1.165	1.00
296_L	302_V	1.149	1.00
144_A	149_S	1.149	1.00
153_Q	159_R	1.148	1.00
108_L	158_W	1.147	1.00
217_P	220_A	1.144	1.00
115_D	118_R	1.141	1.00
151_V	195_I	1.137	1.00
185_S	211_Q	1.134	1.00
100_Q	154_S	1.131	1.00
163_R	182_E	1.131	1.00
124_S	266_Q	1.131	1.00
234_D	263_P	1.125	1.00
211_Q	214_E	1.124	1.00
48_P	51_M	1.124	1.00
142_L	207_I	1.118	1.00
70_I	80_M	1.114	1.00
110_W	249_M	1.112	1.00
62_A	70_I	1.109	1.00
59_A	296_L	1.108	1.00
207_I	230_H	1.102	1.00
97_E	154_S	1.096	1.00
291_R	303_C	1.096	1.00
142_L	208_I	1.096	1.00
288_Y	304_G	1.094	1.00
194_L	216_L	1.094	1.00
105_S	108_L	1.093	1.00
110_W	271_T	1.086	1.00
73_K	82_N	1.085	1.00
195_I	225_L	1.071	1.00
163_R	191_C	1.070	1.00
193_V	221_Y	1.064	1.00
184_L	212_L	1.061	1.00
258_L	262_S	1.060	1.00
213_L	222_L	1.045	1.00
53_A	79_E	1.039	1.00
138_T	190_Q	1.039	1.00
52_L	80_M	1.027	1.00
233_E	255_R	1.025	1.00
102_Y	273_T	1.022	1.00
240_L	270_V	1.019	1.00
166_S	170_K	1.018	1.00
142_L	194_L	1.004	1.00
107_V	139_I	1.001	1.00
61_F	292_T	0.999	1.00
241_D	266_Q	0.998	1.00
219_G	244_K	0.998	1.00
209_N	235_D	0.997	1.00
107_V	155_L	0.987	1.00
102_Y	249_M	0.985	1.00
142_L	184_L	0.984	1.00
233_E	262_S	0.979	1.00
239_A	244_K	0.974	1.00
29_R	33_S	0.971	1.00
61_F	289_I	0.965	1.00
237_L	263_P	0.964	1.00
86_P	302_V	0.957	1.00
167_R	203_E	0.952	1.00
283_A	287_E	0.949	1.00
73_K	81_L	0.948	1.00
184_L	188_L	0.945	1.00
153_Q	156_Q	0.943	1.00
70_I	87_L	0.941	1.00
255_R	259_P	0.940	1.00
182_E	186_A	0.931	1.00
180_G	190_Q	0.922	1.00
208_I	222_L	0.921	1.00
111_F	132_Y	0.921	1.00
106_Q	271_T	0.916	1.00
29_R	50_E	0.914	1.00
62_A	69_S	0.910	1.00
72_S	81_L	0.909	1.00
239_A	245_V	0.909	1.00
41_Y	293_I	0.907	1.00
199_P	204_T	0.895	1.00
191_C	194_L	0.891	1.00
209_N	232_V	0.891	1.00
151_V	155_L	0.891	1.00
149_S	170_K	0.878	1.00
61_F	88_F	0.876	1.00
198_L	207_I	0.876	1.00
104_V	154_S	0.875	1.00
34_G	37_D	0.873	1.00
33_S	54_G	0.868	1.00
179_A	182_E	0.868	1.00
98_Q	133_H	0.867	1.00
64_G	69_S	0.866	1.00
111_F	137_F	0.864	1.00
142_L	196_N	0.863	1.00
29_R	48_P	0.861	1.00
109_H	114_F	0.846	1.00
213_L	244_K	0.846	1.00
96_G	150_K	0.843	1.00
133_H	280_T	0.842	1.00
141_I	151_V	0.837	1.00
135_E	159_R	0.833	1.00
139_I	195_I	0.832	1.00
213_L	216_L	0.829	1.00
119_I	268_P	0.826	1.00
41_Y	297_E	0.825	1.00
60_V	80_M	0.825	1.00
30_A	33_S	0.824	1.00
231_V	236_L	0.823	1.00
111_F	221_Y	0.823	1.00
219_G	246_K	0.816	1.00
134_R	160_F	0.816	1.00
71_L	79_E	0.812	1.00
196_N	208_I	0.810	1.00
109_H	271_T	0.809	1.00
50_E	53_A	0.807	1.00
292_T	295_Q	0.805	1.00
52_L	60_V	0.804	1.00
247_G	271_T	0.802	1.00
255_R	258_L	0.794	1.00
152_A	162_L	0.786	1.00
115_D	119_I	0.785	1.00
238_A	241_D	0.784	1.00
99_M	277_A	0.784	1.00
144_A	152_A	0.782	1.00
188_L	194_L	0.780	1.00
236_L	245_V	0.775	1.00
97_E	101_E	0.772	1.00
43_L	289_I	0.768	1.00
178_F	182_E	0.768	1.00
104_V	151_V	0.768	1.00
234_D	238_A	0.767	1.00
182_E	187_F	0.765	1.00
185_S	189_S	0.764	1.00
194_L	220_A	0.760	1.00
200_N	204_T	0.757	1.00
59_A	293_I	0.756	1.00
214_E	242_S	0.754	1.00
233_E	264_L	0.752	1.00
132_Y	282_P	0.749	1.00
132_Y	281_R	0.747	1.00
29_R	32_K	0.744	1.00
96_G	146_V	0.743	1.00
250_L	270_V	0.739	1.00
103_A	197_L	0.738	1.00
284_E	287_E	0.737	1.00
37_D	54_G	0.734	1.00
149_S	173_P	0.729	1.00
105_S	109_H	0.727	1.00
97_E	133_H	0.727	1.00
42_A	47_P	0.725	1.00
253_F	258_L	0.723	1.00
234_D	254_N	0.721	1.00
165_W	184_L	0.720	1.00
111_F	115_D	0.718	1.00
101_E	112_R	0.716	1.00
104_V	107_V	0.715	1.00
170_K	173_P	0.714	1.00
117_Y	276_V	0.713	1.00
36_N	42_A	0.709	1.00
90_L	288_Y	0.708	1.00
240_L	269_R	0.705	1.00
160_F	193_V	0.703	1.00
37_D	55_R	0.701	1.00
188_L	215_K	0.699	1.00
219_G	245_V	0.699	1.00
248_A	270_V	0.697	1.00
156_Q	178_F	0.696	1.00
103_A	195_I	0.695	1.00
132_Y	219_G	0.690	1.00
154_S	158_W	0.690	1.00
92_D	146_V	0.689	1.00
210_Q	244_K	0.689	1.00
221_Y	249_M	0.687	1.00
107_V	151_V	0.687	1.00
138_T	191_C	0.686	1.00
186_A	189_S	0.683	1.00
38_S	55_R	0.683	1.00
290_S	294_A	0.683	1.00
121_Q	265_W	0.679	1.00
169_R	181_R	0.679	1.00
67_V	72_S	0.678	1.00
62_A	67_V	0.676	1.00
258_L	261_E	0.676	1.00
196_N	226_A	0.675	1.00
98_Q	101_E	0.672	1.00
184_L	207_I	0.672	1.00
164_C	181_R	0.671	1.00
92_D	288_Y	0.663	1.00
236_L	250_L	0.662	1.00
90_L	94_G	0.658	1.00
231_V	248_A	0.657	1.00
166_S	169_R	0.656	1.00
49_V	71_L	0.655	1.00
103_A	106_Q	0.652	1.00
49_V	83_P	0.651	1.00
295_Q	301_R	0.650	1.00
100_Q	150_K	0.650	1.00
118_R	121_Q	0.649	1.00
194_L	217_P	0.646	1.00
301_R	305_Q	0.643	1.00
61_F	293_I	0.640	1.00
295_Q	302_V	0.639	1.00
262_S	266_Q	0.637	1.00
107_V	134_R	0.637	1.00
149_S	153_Q	0.635	1.00
291_R	294_A	0.632	1.00
67_V	89_R	0.631	1.00
249_M	271_T	0.630	1.00
137_F	193_V	0.630	1.00
135_E	284_E	0.630	1.00
198_L	226_A	0.629	1.00
36_N	55_R	0.626	1.00
188_L	216_L	0.624	1.00
238_A	244_K	0.623	1.00
138_T	217_P	0.622	1.00
138_T	192_R	0.619	1.00
90_L	285_A	0.619	1.00
164_C	179_A	0.618	1.00
201_T	204_T	0.613	1.00
205_V	254_N	0.612	1.00
98_Q	280_T	0.611	1.00
140_G	165_W	0.608	1.00
210_Q	242_S	0.606	1.00
182_E	190_Q	0.605	1.00
265_W	272_I	0.604	1.00
206_G	229_V	0.601	1.00
120_Q	123_S	0.600	1.00
58_K	296_L	0.600	1.00
35_D	39_A	0.599	1.00
61_F	90_L	0.592	1.00
94_G	285_A	0.591	1.00
139_I	151_V	0.591	1.00
117_Y	274_P	0.589	1.00
68_D	200_N	0.588	1.00
102_Y	105_S	0.587	1.00
50_E	54_G	0.586	1.00
107_V	223_L	0.586	1.00
94_G	278_A	0.585	1.00
258_L	265_W	0.584	1.00
102_Y	112_R	0.579	1.00
106_Q	109_H	0.577	1.00
229_V	254_N	0.577	1.00
240_L	248_A	0.577	1.00
107_V	195_I	0.577	1.00
259_P	262_S	0.575	1.00
92_D	96_G	0.573	1.00
206_G	209_N	0.569	1.00
241_D	268_P	0.569	1.00
210_Q	239_A	0.568	1.00
63_L	285_A	0.565	1.00
41_Y	61_F	0.565	1.00
118_R	272_I	0.565	1.00
97_E	159_R	0.564	1.00
72_S	87_L	0.564	1.00
137_F	160_F	0.561	1.00
111_F	160_F	0.560	1.00
156_Q	176_Q	0.557	1.00
156_Q	162_L	0.555	1.00
163_R	187_F	0.555	1.00
134_R	158_W	0.552	1.00
198_L	204_T	0.552	1.00
94_G	288_Y	0.550	1.00
233_E	237_L	0.550	1.00
287_E	290_S	0.549	1.00
154_S	157_T	0.548	1.00
161_P	179_A	0.547	1.00
163_R	181_R	0.547	1.00
178_F	181_R	0.547	1.00
106_Q	110_W	0.546	1.00
89_R	306_V	0.541	1.00
121_Q	253_F	0.539	1.00
41_Y	44_V	0.537	1.00
239_A	242_S	0.535	1.00
115_D	271_T	0.535	1.00
31_W	34_G	0.532	1.00
52_L	85_V	0.532	1.00
302_V	305_Q	0.532	1.00
194_L	208_I	0.531	1.00
120_Q	127_Q	0.531	1.00
116_D	120_Q	0.530	1.00
99_M	103_A	0.530	1.00
120_Q	129_L	0.527	1.00
95_M	98_Q	0.524	1.00
255_R	262_S	0.524	1.00
144_A	166_S	0.524	1.00
47_P	52_L	0.523	1.00
117_Y	129_L	0.521	1.00
73_K	79_E	0.520	1.00
153_Q	157_T	0.516	1.00
263_P	267_H	0.516	1.00
219_G	242_S	0.514	1.00
55_R	83_P	0.513	1.00
227_R	275_H	0.510	1.00
188_L	207_I	0.510	1.00
156_Q	177_S	0.509	1.00
194_L	222_L	0.507	1.00
175_V	178_F	0.507	1.00
167_R	170_K	0.507	1.00
111_F	134_R	0.507	1.00
234_D	262_S	0.507	1.00
33_S	51_M	0.504	1.00
262_S	265_W	0.502	1.00
152_A	164_C	0.500	1.00
172_W	176_Q	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
4n18A	2	0.9712	100	0.201	Contact Map
4xa8A	2	0.9359	100	0.21	Contact Map
3pp8A	2	0.9647	100	0.21	Contact Map
3hg7A	2	0.9615	100	0.218	Contact Map
4z0pA	2	0.9744	100	0.226	Contact Map
4zqbA	2	0.9808	100	0.228	Contact Map
4xcvA	2	0.9744	100	0.229	Contact Map
3kb6A	4	0.9776	100	0.235	Contact Map
1dxyA	5	0.9615	100	0.238	Contact Map
3evtA	2	0.9583	100	0.243	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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