GR - BACSU - GREMLIN Contacts

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GR - Glyoxal reductase

UniProt:	O32210	Sequences: MPTSLKDTVKLHNGVEMPWFGLGVFKVENGNEATESVKAAIKNGYRSIDTAAIYKNEEGVGIGIKESGVAREELFITSKVWNEDQGYETTLAAFEKSLERLQLDYLDLYLIHWPGKDKYKDTWRALEKLYKDGKIRAIGVSNFQVHHLEELLKDAEIKPMVNQVEFHPRLTQKELRDYCKGQGIQLEAWSPLMQGQLLDNEVLTQIAEKHNKSVAQVILRWDLQHGVVTIPKSIKEHRIIENADIFDFELSQEDMDKIDALNKDERVGPNPDELLF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	276 (251)
Sequences:	32604 (20989)
Seq/√Len:	1324.8

ECOLI - DKGA YDHF YAJO YDJG TAS DKGB GPR YEAE YDBC
BACSU - GR YTBE YCSN YRPG IOLS GS69 YQKF YCCK
HALSA - Q9HS02 Q9HPH9 Q9HQU7 Q9HNN3 Q9HQT1 Q9HSE6
SULSO - Q97UG6 Q97ZZ1 Q97UV9 Q97UJ7 Q97V56 Q97U17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_A	240_I	3.064	1.00
95_E	134_K	2.862	1.00
65_K	102_Q	2.714	1.00
30_G	62_I	2.702	1.00
210_H	254_D	2.608	1.00
251_S	254_D	2.403	1.00
94_F	129_L	2.385	1.00
34_T	66_E	2.371	1.00
10_K	16_E	2.338	1.00
91_L	128_K	2.334	1.00
91_L	132_D	2.291	1.00
39_A	43_N	2.244	1.00
209_K	257_K	2.080	1.00
34_T	62_I	1.995	1.00
204_T	208_E	1.964	1.00
127_E	131_K	1.948	1.00
96_K	100_R	1.946	1.00
105_Y	136_R	1.920	1.00
224_Q	255_M	1.908	1.00
178_Y	182_Q	1.896	1.00
9_V	19_W	1.889	1.00
209_K	254_D	1.888	1.00
128_K	132_D	1.880	1.00
70_A	73_E	1.861	1.00
252_Q	256_D	1.850	1.00
236_E	240_I	1.840	1.00
179_C	186_L	1.815	1.00
205_Q	257_K	1.784	1.00
39_A	236_E	1.751	1.00
21_G	47_S	1.748	1.00
87_Y	128_K	1.732	1.00
110_L	161_V	1.701	1.00
212_K	248_F	1.691	1.00
43_N	240_I	1.691	1.00
149_E	153_K	1.663	1.00
225_H	259_D	1.658	1.00
76_I	103_L	1.657	1.00
128_K	131_K	1.643	1.00
40_A	45_Y	1.613	1.00
185_Q	228_V	1.608	1.00
8_T	16_E	1.595	1.00
43_N	243_A	1.585	1.00
149_E	178_Y	1.578	1.00
58_E	100_R	1.573	1.00
78_S	106_L	1.570	1.00
87_Y	91_L	1.567	1.00
34_T	38_K	1.562	1.00
34_T	63_G	1.556	1.00
80_V	109_Y	1.547	1.00
220_R	248_F	1.546	1.00
78_S	97_S	1.544	1.00
38_K	66_E	1.534	1.00
91_L	95_E	1.530	1.00
202_V	205_Q	1.511	1.00
256_D	260_A	1.510	1.00
213_S	241_E	1.507	1.00
80_V	90_T	1.505	1.00
39_A	42_K	1.504	1.00
94_F	109_Y	1.497	1.00
244_D	247_D	1.489	1.00
125_A	128_K	1.484	1.00
77_T	110_L	1.478	1.00
29_N	32_E	1.470	1.00
24_V	48_I	1.448	1.00
52_A	93_A	1.413	1.00
127_E	157_I	1.410	1.00
92_A	96_K	1.400	1.00
41_I	74_L	1.400	1.00
30_G	34_T	1.399	1.00
174_E	177_D	1.389	1.00
177_D	181_G	1.383	1.00
15_V	137_A	1.380	1.00
32_E	35_E	1.376	1.00
180_K	226_G	1.365	1.00
37_V	63_G	1.347	1.00
95_E	99_E	1.342	1.00
110_L	187_E	1.339	1.00
212_K	216_Q	1.327	1.00
144_Q	147_H	1.321	1.00
106_L	135_I	1.318	1.00
130_Y	157_I	1.314	1.00
152_L	182_Q	1.305	1.00
240_I	244_D	1.300	1.00
164_V	186_L	1.285	1.00
137_A	160_M	1.269	1.00
15_V	75_F	1.266	1.00
87_Y	124_R	1.265	1.00
220_R	224_Q	1.263	1.00
233_S	238_R	1.254	1.00
38_K	42_K	1.247	1.00
96_K	99_E	1.236	1.00
152_L	178_Y	1.235	1.00
129_L	135_I	1.227	1.00
35_E	39_A	1.224	1.00
87_Y	125_A	1.222	1.00
257_K	260_A	1.222	1.00
91_L	125_A	1.207	1.00
233_S	239_I	1.202	1.00
75_F	108_L	1.192	1.00
205_Q	209_K	1.190	1.00
202_V	257_K	1.188	1.00
212_K	217_V	1.185	1.00
135_I	138_I	1.182	1.00
145_V	178_Y	1.179	1.00
57_E	97_S	1.174	1.00
62_I	102_Q	1.164	1.00
120_K	154_D	1.157	1.00
176_R	180_K	1.150	1.00
101_L	106_L	1.149	1.00
71_R	103_L	1.149	1.00
131_K	156_E	1.149	1.00
61_G	102_Q	1.139	1.00
166_F	225_H	1.139	1.00
213_S	216_Q	1.133	1.00
71_R	105_Y	1.130	1.00
31_N	35_E	1.127	1.00
169_R	200_N	1.124	1.00
204_T	214_V	1.108	1.00
108_L	161_V	1.100	1.00
114_P	147_H	1.092	1.00
88_E	92_A	1.092	1.00
86_G	89_T	1.091	1.00
48_I	60_V	1.084	1.00
237_H	240_I	1.084	1.00
149_E	181_G	1.083	1.00
94_F	106_L	1.080	1.00
89_T	92_A	1.078	1.00
47_S	187_E	1.066	1.00
130_Y	160_M	1.065	1.00
13_N	137_A	1.063	1.00
58_E	62_I	1.062	1.00
121_D	124_R	1.056	1.00
38_K	63_G	1.042	1.00
206_I	217_V	1.042	1.00
205_Q	208_E	1.042	1.00
149_E	182_Q	1.036	1.00
95_E	132_D	1.033	1.00
127_E	130_Y	1.031	1.00
47_S	77_T	1.029	1.00
126_L	138_I	1.023	1.00
85_Q	111_I	1.018	1.00
24_V	60_V	1.016	1.00
129_L	134_K	1.011	1.00
111_I	126_L	1.010	1.00
36_S	239_I	1.001	1.00
35_E	236_E	1.001	1.00
222_D	229_T	1.000	1.00
171_T	262_N	0.995	1.00
12_H	160_M	0.988	1.00
201_E	204_T	0.987	1.00
165_E	170_L	0.985	1.00
223_L	245_I	0.982	1.00
168_P	258_I	0.980	1.00
216_Q	244_D	0.979	1.00
150_E	154_D	0.978	1.00
46_R	75_F	0.971	1.00
57_E	100_R	0.970	1.00
201_E	205_Q	0.970	1.00
10_K	14_G	0.963	1.00
203_L	214_V	0.961	1.00
145_V	149_E	0.960	1.00
173_K	177_D	0.951	1.00
18_P	46_R	0.942	1.00
161_V	187_E	0.932	1.00
177_D	180_K	0.931	1.00
168_P	218_I	0.928	1.00
62_I	66_E	0.921	1.00
52_A	89_T	0.918	1.00
18_P	45_Y	0.916	1.00
239_I	243_A	0.915	1.00
120_K	150_E	0.911	1.00
58_E	99_E	0.909	1.00
107_D	136_R	0.908	1.00
140_V	159_P	0.905	1.00
91_L	94_F	0.900	1.00
84_D	89_T	0.899	1.00
64_I	74_L	0.899	1.00
216_Q	241_E	0.895	1.00
19_W	223_L	0.893	1.00
19_W	246_F	0.886	1.00
241_E	244_D	0.885	1.00
237_H	241_E	0.876	1.00
37_V	48_I	0.870	1.00
187_E	228_V	0.868	1.00
52_A	84_D	0.867	1.00
129_L	132_D	0.866	1.00
124_R	128_K	0.865	1.00
125_A	129_L	0.861	1.00
66_E	70_A	0.855	1.00
41_I	70_A	0.852	1.00
92_A	95_E	0.852	1.00
35_E	38_K	0.851	1.00
87_Y	121_D	0.847	1.00
256_D	259_D	0.845	1.00
77_T	187_E	0.843	1.00
206_I	210_H	0.838	1.00
127_E	156_E	0.838	1.00
140_V	148_L	0.837	1.00
219_L	245_I	0.834	1.00
162_N	179_C	0.832	1.00
30_G	59_G	0.832	1.00
224_Q	249_E	0.831	1.00
235_K	238_R	0.831	1.00
13_N	160_M	0.829	1.00
138_I	159_P	0.819	1.00
253_E	257_K	0.813	1.00
52_A	100_R	0.811	1.00
253_E	256_D	0.809	1.00
150_E	153_K	0.806	1.00
178_Y	181_G	0.806	1.00
91_L	129_L	0.796	1.00
148_L	184_I	0.793	1.00
225_H	255_M	0.788	1.00
127_E	138_I	0.787	1.00
13_N	130_Y	0.785	1.00
209_K	251_S	0.773	1.00
124_R	127_E	0.772	1.00
77_T	108_L	0.771	1.00
142_N	189_W	0.770	1.00
218_I	222_D	0.769	1.00
171_T	259_D	0.769	1.00
210_H	251_S	0.769	1.00
220_R	245_I	0.763	1.00
52_A	96_K	0.762	1.00
176_R	186_L	0.762	1.00
9_V	185_Q	0.748	1.00
22_L	40_A	0.747	1.00
24_V	56_N	0.741	1.00
166_F	176_R	0.739	1.00
98_L	134_K	0.738	1.00
234_I	238_R	0.736	1.00
224_Q	252_Q	0.736	1.00
43_N	244_D	0.735	1.00
38_K	70_A	0.731	1.00
31_N	34_T	0.730	1.00
191_P	231_P	0.729	1.00
113_W	142_N	0.726	1.00
78_S	109_Y	0.723	1.00
175_L	179_C	0.721	1.00
39_A	239_I	0.720	1.00
188_A	191_P	0.717	1.00
118_K	121_D	0.715	1.00
85_Q	122_T	0.708	1.00
145_V	175_L	0.706	1.00
50_T	60_V	0.704	1.00
202_V	261_L	0.700	1.00
152_L	158_K	0.700	1.00
28_E	32_E	0.697	1.00
123_W	151_L	0.694	1.00
22_L	27_V	0.694	1.00
127_E	155_A	0.693	1.00
36_S	236_E	0.693	1.00
188_A	229_T	0.692	1.00
94_F	134_K	0.688	1.00
123_W	159_P	0.687	1.00
208_E	211_N	0.682	1.00
93_A	96_K	0.682	1.00
41_I	48_I	0.681	1.00
215_A	241_E	0.680	1.00
21_G	231_P	0.679	1.00
212_K	247_D	0.679	1.00
98_L	103_L	0.677	1.00
145_V	174_E	0.677	1.00
97_S	109_Y	0.674	1.00
176_R	225_H	0.674	1.00
70_A	74_L	0.673	1.00
45_Y	243_A	0.670	1.00
33_A	59_G	0.669	1.00
123_W	138_I	0.665	1.00
210_H	217_V	0.663	1.00
140_V	162_N	0.661	1.00
90_T	129_L	0.660	1.00
72_E	105_Y	0.659	1.00
140_V	143_F	0.658	1.00
179_C	184_I	0.653	1.00
110_L	139_G	0.647	1.00
221_W	259_D	0.642	1.00
20_F	223_L	0.639	1.00
25_F	190_S	0.634	1.00
26_K	194_Q	0.634	1.00
212_K	244_D	0.633	1.00
46_R	73_E	0.633	1.00
166_F	171_T	0.632	1.00
238_R	241_E	0.628	1.00
191_P	222_D	0.625	1.00
200_N	204_T	0.622	1.00
207_A	217_V	0.622	1.00
15_V	136_R	0.621	1.00
37_V	41_I	0.620	1.00
90_T	122_T	0.619	1.00
250_L	255_M	0.618	1.00
106_L	109_Y	0.615	1.00
206_I	254_D	0.614	1.00
43_N	239_I	0.614	1.00
203_L	258_I	0.613	1.00
122_T	125_A	0.612	1.00
196_Q	200_N	0.609	1.00
217_V	250_L	0.608	1.00
222_D	227_V	0.604	1.00
203_L	218_I	0.600	1.00
185_Q	227_V	0.600	1.00
126_L	130_Y	0.599	1.00
130_Y	135_I	0.599	1.00
166_F	222_D	0.598	1.00
119_Y	154_D	0.596	1.00
27_V	33_A	0.595	1.00
90_T	125_A	0.594	1.00
130_Y	137_A	0.594	1.00
32_E	236_E	0.593	1.00
119_Y	122_T	0.592	1.00
169_R	196_Q	0.591	1.00
94_F	98_L	0.586	1.00
17_M	228_V	0.585	1.00
42_K	236_E	0.585	1.00
41_I	46_R	0.584	1.00
120_K	124_R	0.584	1.00
98_L	105_Y	0.584	1.00
217_V	248_F	0.581	1.00
29_N	59_G	0.580	1.00
98_L	104_D	0.578	1.00
166_F	186_L	0.578	1.00
49_D	163_Q	0.577	1.00
98_L	106_L	0.574	1.00
80_V	85_Q	0.574	1.00
206_I	257_K	0.574	1.00
149_E	152_L	0.570	1.00
8_T	46_R	0.566	1.00
91_L	134_K	0.565	1.00
118_K	122_T	0.564	1.00
207_A	214_V	0.563	1.00
250_L	254_D	0.560	1.00
86_G	122_T	0.558	1.00
12_H	158_K	0.556	1.00
254_D	257_K	0.555	1.00
41_I	73_E	0.553	1.00
109_Y	135_I	0.553	1.00
212_K	220_R	0.551	1.00
28_E	33_A	0.551	1.00
217_V	254_D	0.551	1.00
80_V	93_A	0.550	1.00
12_H	183_G	0.549	1.00
53_I	81_W	0.548	1.00
147_H	150_E	0.548	1.00
8_T	18_P	0.548	1.00
190_S	194_Q	0.545	1.00
36_S	233_S	0.545	1.00
233_S	242_N	0.544	1.00
82_N	85_Q	0.544	1.00
11_L	185_Q	0.539	1.00
20_F	246_F	0.536	1.00
207_A	210_H	0.536	1.00
140_V	151_L	0.534	1.00
197_L	218_I	0.531	1.00
27_V	36_S	0.530	1.00
217_V	258_I	0.530	1.00
50_T	56_N	0.529	1.00
131_K	157_I	0.524	1.00
119_Y	147_H	0.524	1.00
48_I	64_I	0.524	1.00
166_F	227_V	0.524	1.00
109_Y	126_L	0.523	1.00
119_Y	150_E	0.521	1.00
138_I	157_I	0.519	1.00
22_L	36_S	0.519	1.00
41_I	63_G	0.517	1.00
216_Q	248_F	0.517	1.00
17_M	47_S	0.517	1.00
37_V	60_V	0.516	1.00
236_E	239_I	0.515	1.00
60_V	63_G	0.514	1.00
146_H	149_E	0.514	1.00
206_I	209_K	0.508	1.00
87_Y	90_T	0.506	1.00
64_I	70_A	0.504	1.00
168_P	221_W	0.502	1.00
111_I	122_T	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
3f7jA	1	1	100	0.08	Contact Map
3b3dA	1	0.9964	100	0.088	Contact Map
4f40A	1	0.9819	100	0.093	Contact Map
4q3mA	2	0.9746	100	0.101	Contact Map
4otkA	1	0.9891	100	0.101	Contact Map
1vbjA	1	0.9928	100	0.102	Contact Map
2wzmA	1	0.9819	100	0.104	Contact Map
1hw6A	1	0.9167	100	0.108	Contact Map
3wbwA	1	0.971	100	0.11	Contact Map
4mhbA	4	0.9746	100	0.113	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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