GLCDH - HALSA - GREMLIN Contacts

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GLCDH - Glucose 1-dehydrogenase

UniProt:	Q9HS17	Sequences: MDAIVVSKADRTPRLVDRPRPDPTPGSVLVRTLRVGVDGTDHEVIAGTHGGFPEDADELVLGHEAIGVVADPTDTRFSAGQLVAPTVRRPRGDPTPQFDRGQPDMAAPGTYVERGIDGADGFMADYFTSPADALVALPDSLAAHGFLTEPVSVAEKAIELALASRSAFDWRPDSALVLGNGSLGLLTLAILAARDDTETLYCLGRRSRPDPTIDIIERLGATYIDSRTTPVADIPAAHQPVDMVYEATGHAKHAFDAIDALAPAGVAALLGVPAAGWTFEVPGSDLHRSLVLENKAVVGSVNSNARHFRAAADTLAALPDWLCDAIVTGVHDTAAFADAFRDGETSIKTAVQFDTR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	356 (295)
Sequences:	52484 (36416)
Seq/√Len:	2120.2

ECOLI - YBDR YGGP YDJL RSPB TDH YPHC GATD IDND AHR YAHK FRMA ADHP YDJJ YJJN ACUI YCJQ QOR1 CURA
BACSU - YJMD YYCR ADHB DHSO TDH YOGA ADHA BDHA YHFP YFMJ
HALSA - GLCDH Q9HMB6 Q9HP38 Q9HQS8 Q9HR85
SULSO - GLCD1 GLCD2 Q97XR4 Q97VV5 Q97YT7 ADH GLCD3 Q97ZV3 Q7LXK1 Q97TZ4 Q97VW0 Q97V32 Q97YM2 Q97WA1 Q97W06 Q97VB8 Q97UW5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
31_R	70_A	3.287	1.00
33_L	68_V	3.203	1.00
335_A	338_D	3.019	1.00
174_S	199_T	2.860	1.00
29_L	70_A	2.822	1.00
78_S	81_Q	2.734	1.00
82_L	137_L	2.699	1.00
81_Q	136_A	2.634	1.00
28_V	134_L	2.574	1.00
20_R	126_Y	2.534	1.00
143_A	330_V	2.522	1.00
180_N	202_C	2.484	1.00
192_A	222_T	2.446	1.00
5_V	16_V	2.412	1.00
31_R	68_V	2.394	1.00
330_V	352_Q	2.381	1.00
31_R	126_Y	2.373	1.00
175_A	191_L	2.367	1.00
65_A	122_F	2.304	1.00
213_I	217_E	2.254	1.00
24_T	27_S	2.237	1.00
65_A	85_P	2.232	1.00
214_D	218_R	2.196	1.00
76_R	131_A	2.192	1.00
140_S	316_A	2.163	1.00
188_L	221_A	2.163	1.00
29_L	128_T	2.141	1.00
159_E	194_R	2.119	1.00
199_T	223_Y	2.099	1.00
70_A	126_Y	2.096	1.00
313_D	317_A	2.062	1.00
193_A	319_P	2.019	1.00
332_D	335_A	1.996	1.00
151_V	186_L	1.933	1.00
214_D	217_E	1.927	1.00
159_E	310_A	1.906	1.00
176_L	203_L	1.882	1.00
176_L	241_V	1.862	1.00
242_D	262_A	1.859	1.00
266_V	296_A	1.854	1.00
207_S	214_D	1.788	1.00
201_Y	241_V	1.785	1.00
213_I	224_I	1.754	1.00
22_D	71_D	1.746	1.00
338_D	341_R	1.740	1.00
331_H	339_A	1.737	1.00
204_G	213_I	1.729	1.00
266_V	298_V	1.726	1.00
199_T	222_T	1.720	1.00
215_I	218_R	1.717	1.00
68_V	82_L	1.714	1.00
29_L	126_Y	1.708	1.00
71_D	79_A	1.665	1.00
261_L	267_A	1.649	1.00
4_I	336_F	1.645	1.00
77_F	81_Q	1.639	1.00
178_L	257_A	1.627	1.00
143_A	352_Q	1.592	1.00
123_M	340_F	1.579	1.00
23_P	128_T	1.574	1.00
27_S	130_P	1.571	1.00
77_F	136_A	1.570	1.00
29_L	71_D	1.567	1.00
244_V	261_L	1.563	1.00
261_L	295_K	1.560	1.00
337_A	341_R	1.556	1.00
82_L	139_D	1.545	1.00
32_T	65_A	1.529	1.00
261_L	265_G	1.528	1.00
26_G	130_P	1.527	1.00
173_D	266_V	1.523	1.00
27_S	128_T	1.512	1.00
223_Y	237_A	1.500	1.00
25_P	74_D	1.497	1.00
233_D	236_A	1.496	1.00
205_R	226_S	1.477	1.00
137_L	145_G	1.458	1.00
207_S	228_T	1.453	1.00
225_D	228_T	1.449	1.00
244_V	257_A	1.448	1.00
28_V	77_F	1.440	1.00
193_A	314_T	1.439	1.00
34_R	143_A	1.423	1.00
207_S	225_D	1.404	1.00
45_I	340_F	1.400	1.00
23_P	29_L	1.399	1.00
206_R	211_P	1.390	1.00
313_D	316_A	1.382	1.00
174_S	201_Y	1.371	1.00
3_A	18_R	1.366	1.00
34_R	352_Q	1.360	1.00
8_K	12_T	1.358	1.00
187_T	245_Y	1.355	1.00
69_V	77_F	1.350	1.00
178_L	203_L	1.341	1.00
155_E	159_E	1.339	1.00
8_K	14_R	1.326	1.00
25_P	73_T	1.308	1.00
33_L	82_L	1.296	1.00
332_D	352_Q	1.293	1.00
32_T	127_F	1.289	1.00
164_S	173_D	1.289	1.00
188_L	202_C	1.288	1.00
4_I	15_L	1.287	1.00
9_A	12_T	1.284	1.00
20_R	29_L	1.275	1.00
26_G	131_A	1.249	1.00
174_S	242_D	1.231	1.00
77_F	134_L	1.222	1.00
189_A	321_W	1.216	1.00
314_T	319_P	1.205	1.00
217_E	224_I	1.198	1.00
305_A	309_R	1.193	1.00
25_P	72_P	1.189	1.00
173_D	242_D	1.177	1.00
205_R	227_R	1.177	1.00
310_A	313_D	1.174	1.00
156_K	307_H	1.159	1.00
129_S	134_L	1.151	1.00
33_L	66_I	1.150	1.00
336_F	351_V	1.141	1.00
201_Y	223_Y	1.123	1.00
5_V	18_R	1.123	1.00
213_I	225_D	1.113	1.00
215_I	346_S	1.102	1.00
230_P	233_D	1.098	1.00
154_A	187_T	1.097	1.00
70_A	79_A	1.096	1.00
30_V	83_V	1.092	1.00
248_T	253_H	1.087	1.00
159_E	307_H	1.086	1.00
30_V	67_G	1.081	1.00
217_E	223_Y	1.081	1.00
15_L	334_A	1.079	1.00
35_V	123_M	1.064	1.00
23_P	27_S	1.064	1.00
256_D	259_D	1.062	1.00
34_R	350_A	1.056	1.00
207_S	213_I	1.048	1.00
155_E	310_A	1.044	1.00
4_I	333_T	1.044	1.00
37_V	339_A	1.041	1.00
331_H	335_A	1.040	1.00
259_D	285_D	1.021	1.00
157_A	270_L	1.017	1.00
202_C	216_I	1.016	1.00
144_H	321_W	1.016	1.00
309_R	313_D	1.015	1.00
154_A	190_I	1.012	1.00
151_V	311_A	1.003	1.00
162_L	243_M	1.003	1.00
180_N	204_G	0.991	1.00
202_C	221_A	0.987	1.00
173_D	243_M	0.985	1.00
180_N	188_L	0.981	1.00
188_L	200_L	0.975	1.00
310_A	314_T	0.974	1.00
157_A	245_Y	0.969	1.00
141_L	145_G	0.964	1.00
180_N	216_I	0.962	1.00
212_T	346_S	0.956	1.00
211_P	214_D	0.956	1.00
84_A	312_A	0.953	1.00
232_A	236_A	0.947	1.00
255_F	259_D	0.947	1.00
38_D	64_E	0.944	1.00
35_V	122_F	0.941	1.00
282_P	285_D	0.938	1.00
8_K	11_R	0.937	1.00
123_M	336_F	0.934	1.00
185_L	215_I	0.929	1.00
176_L	260_A	0.928	1.00
306_R	310_A	0.912	1.00
246_E	249_G	0.912	1.00
20_R	71_D	0.910	1.00
5_V	60_V	0.910	1.00
31_R	125_D	0.910	1.00
206_R	212_T	0.907	1.00
331_H	349_T	0.896	1.00
290_L	297_V	0.886	1.00
178_L	244_V	0.883	1.00
152_S	307_H	0.882	1.00
20_R	70_A	0.882	1.00
4_I	13_P	0.880	1.00
206_R	225_D	0.877	1.00
26_G	72_P	0.874	1.00
59_L	120_D	0.871	1.00
75_T	131_A	0.869	1.00
177_V	191_L	0.869	1.00
147_L	315_L	0.868	1.00
177_V	187_T	0.859	1.00
322_L	326_I	0.857	1.00
38_D	63_H	0.855	1.00
205_R	213_I	0.855	1.00
314_T	317_A	0.854	1.00
264_A	294_N	0.853	1.00
3_A	60_V	0.851	1.00
194_R	310_A	0.846	1.00
159_E	163_A	0.840	1.00
72_P	79_A	0.839	1.00
122_F	127_F	0.838	1.00
174_S	239_Q	0.837	1.00
28_V	131_A	0.832	1.00
204_G	224_I	0.830	1.00
191_L	200_L	0.830	1.00
65_A	127_F	0.826	1.00
36_G	64_E	0.823	1.00
203_L	226_S	0.822	1.00
78_S	136_A	0.822	1.00
85_P	129_S	0.821	1.00
174_S	241_V	0.820	1.00
123_M	351_V	0.818	1.00
190_I	311_A	0.818	1.00
135_V	309_R	0.818	1.00
306_R	309_R	0.815	1.00
244_V	267_A	0.813	1.00
22_D	29_L	0.813	1.00
257_A	267_A	0.812	1.00
24_T	128_T	0.810	1.00
18_R	120_D	0.808	1.00
216_I	221_A	0.808	1.00
231_V	234_I	0.801	1.00
178_L	253_H	0.799	1.00
158_I	191_L	0.796	1.00
229_T	233_D	0.789	1.00
247_A	270_L	0.789	1.00
139_D	316_A	0.789	1.00
154_A	186_L	0.779	1.00
83_V	134_L	0.777	1.00
23_P	71_D	0.771	1.00
38_D	41_D	0.769	1.00
207_S	211_P	0.765	1.00
66_I	82_L	0.761	1.00
201_Y	237_A	0.759	1.00
18_R	60_V	0.758	1.00
66_I	137_L	0.757	1.00
40_T	63_H	0.755	1.00
232_A	256_D	0.753	1.00
190_I	314_T	0.753	1.00
331_H	351_V	0.753	1.00
269_L	297_V	0.751	1.00
157_A	187_T	0.745	1.00
345_T	349_T	0.743	1.00
232_A	259_D	0.739	1.00
200_L	222_T	0.738	1.00
230_P	256_D	0.738	1.00
15_L	333_T	0.733	1.00
84_A	137_L	0.732	1.00
312_A	316_A	0.728	1.00
233_D	237_A	0.727	1.00
26_G	74_D	0.726	1.00
156_K	294_N	0.725	1.00
290_L	299_G	0.720	1.00
34_R	66_I	0.719	1.00
243_M	268_A	0.718	1.00
329_G	349_T	0.716	1.00
76_R	305_A	0.716	1.00
155_E	311_A	0.715	1.00
215_I	219_L	0.712	1.00
327_V	330_V	0.711	1.00
163_A	173_D	0.711	1.00
135_V	308_F	0.710	1.00
177_V	202_C	0.710	1.00
285_D	293_E	0.709	1.00
255_F	278_T	0.707	1.00
154_A	183_L	0.706	1.00
314_T	318_L	0.705	1.00
138_P	316_A	0.704	1.00
66_I	146_F	0.702	1.00
141_L	315_L	0.697	1.00
172_P	198_E	0.697	1.00
329_G	338_D	0.696	1.00
4_I	337_A	0.693	1.00
26_G	132_D	0.693	1.00
241_V	244_V	0.690	1.00
84_A	148_T	0.690	1.00
174_S	198_E	0.689	1.00
82_L	140_S	0.686	1.00
8_K	16_V	0.686	1.00
155_E	314_T	0.685	1.00
21_P	128_T	0.684	1.00
232_A	235_P	0.684	1.00
290_L	295_K	0.681	1.00
81_Q	139_D	0.680	1.00
32_T	35_V	0.677	1.00
329_G	346_S	0.675	1.00
255_F	285_D	0.675	1.00
10_D	341_R	0.674	1.00
195_D	198_E	0.674	1.00
246_E	267_A	0.674	1.00
204_G	216_I	0.673	1.00
189_A	219_L	0.672	1.00
161_A	243_M	0.669	1.00
185_L	326_I	0.669	1.00
294_N	304_N	0.668	1.00
72_P	75_T	0.667	1.00
234_I	241_V	0.664	1.00
28_V	69_V	0.662	1.00
38_D	150_P	0.662	1.00
153_V	183_L	0.655	1.00
33_L	352_Q	0.655	1.00
254_A	267_A	0.654	1.00
215_I	326_I	0.652	1.00
188_L	219_L	0.650	1.00
263_P	293_E	0.649	1.00
154_A	158_I	0.649	1.00
204_G	226_S	0.649	1.00
213_I	216_I	0.649	1.00
243_M	266_V	0.648	1.00
250_H	253_H	0.648	1.00
11_R	341_R	0.646	1.00
234_I	237_A	0.646	1.00
64_E	149_E	0.645	1.00
155_E	307_H	0.644	1.00
159_E	190_I	0.641	1.00
160_L	307_H	0.641	1.00
159_E	164_S	0.640	1.00
63_H	149_E	0.639	1.00
162_L	268_A	0.638	1.00
239_Q	262_A	0.637	1.00
192_A	200_L	0.636	1.00
231_V	235_P	0.634	1.00
38_D	149_E	0.633	1.00
150_P	182_S	0.631	1.00
150_P	186_L	0.629	1.00
43_E	48_T	0.627	1.00
221_A	224_I	0.626	1.00
251_A	255_F	0.625	1.00
218_R	321_W	0.624	1.00
161_A	164_S	0.623	1.00
175_A	243_M	0.622	1.00
34_R	330_V	0.621	1.00
307_H	310_A	0.619	1.00
331_H	338_D	0.619	1.00
30_V	85_P	0.618	1.00
86_T	135_V	0.617	1.00
37_V	123_M	0.617	1.00
142_A	145_G	0.617	1.00
162_L	266_V	0.617	1.00
187_T	270_L	0.616	1.00
157_A	268_A	0.610	1.00
35_V	351_V	0.609	1.00
40_T	44_V	0.606	1.00
6_V	12_T	0.604	1.00
74_D	131_A	0.603	1.00
56_A	59_L	0.600	1.00
30_V	134_L	0.599	1.00
339_A	351_V	0.599	1.00
85_P	134_L	0.598	1.00
176_L	244_V	0.596	1.00
201_Y	234_I	0.596	1.00
156_K	160_L	0.592	1.00
62_G	123_M	0.592	1.00
131_A	134_L	0.590	1.00
38_D	348_K	0.590	1.00
77_F	131_A	0.590	1.00
315_L	322_L	0.590	1.00
149_E	153_V	0.589	1.00
135_V	312_A	0.588	1.00
42_H	46_A	0.587	1.00
23_P	26_G	0.587	1.00
12_T	337_A	0.585	1.00
37_V	351_V	0.584	1.00
33_L	137_L	0.583	1.00
39_G	43_E	0.583	1.00
135_V	305_A	0.582	1.00
76_R	79_A	0.579	1.00
160_L	296_A	0.578	1.00
163_A	243_M	0.574	1.00
278_T	282_P	0.574	1.00
300_S	303_S	0.573	1.00
241_V	260_A	0.573	1.00
190_I	194_R	0.572	1.00
295_K	299_G	0.572	1.00
153_V	270_L	0.571	1.00
21_P	126_Y	0.570	1.00
21_P	27_S	0.564	1.00
75_T	78_S	0.563	1.00
204_G	212_T	0.560	1.00
308_F	312_A	0.558	1.00
130_P	133_A	0.557	1.00
72_P	78_S	0.556	1.00
19_P	22_D	0.555	1.00
66_I	145_G	0.554	1.00
158_I	190_I	0.554	1.00
253_H	257_A	0.553	1.00
85_P	122_F	0.550	1.00
185_L	219_L	0.550	1.00
216_I	224_I	0.548	1.00
255_F	280_E	0.548	1.00
342_D	345_T	0.547	1.00
162_L	173_D	0.545	1.00
40_T	43_E	0.545	1.00
228_T	233_D	0.544	1.00
244_V	260_A	0.541	1.00
255_F	282_P	0.540	1.00
44_V	51_G	0.538	1.00
44_V	49_H	0.535	1.00
174_S	223_Y	0.535	1.00
253_H	256_D	0.535	1.00
177_V	188_L	0.534	1.00
76_R	136_A	0.534	1.00
329_G	335_A	0.533	1.00
246_E	271_G	0.532	1.00
188_L	216_I	0.531	1.00
32_T	85_P	0.531	1.00
192_A	221_A	0.526	1.00
36_G	146_F	0.526	1.00
235_P	240_P	0.526	1.00
39_G	181_G	0.526	1.00
186_L	190_I	0.525	1.00
204_G	225_D	0.525	1.00
171_R	194_R	0.524	1.00
60_V	121_G	0.523	1.00
21_P	29_L	0.521	1.00
150_P	348_K	0.521	1.00
13_P	340_F	0.521	1.00
27_S	119_A	0.521	1.00
292_L	301_V	0.520	1.00
309_R	312_A	0.518	1.00
331_H	352_Q	0.518	1.00
11_R	45_I	0.516	1.00
240_P	262_A	0.515	1.00
141_L	316_A	0.513	1.00
300_S	304_N	0.512	1.00
206_R	213_I	0.511	1.00
186_L	320_D	0.510	1.00
187_T	247_A	0.509	1.00
161_A	298_V	0.508	1.00
20_R	128_T	0.508	1.00
155_E	190_I	0.508	1.00
23_P	73_T	0.507	1.00
136_A	139_D	0.506	1.00
160_L	163_A	0.505	1.00
161_A	268_A	0.505	1.00
217_E	222_T	0.505	1.00
157_A	300_S	0.502	1.00
32_T	67_G	0.502	1.00
27_S	131_A	0.502	1.00
225_D	229_T	0.502	1.00
58_E	62_G	0.501	1.00
268_A	300_S	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
2cdcA	3	0.9551	100	0.189	Contact Map
2b5wA	2	0.9691	100	0.195	Contact Map
4ilkA	2	0.9129	100	0.221	Contact Map
4ej6A	1	0.9242	100	0.221	Contact Map
1h2bA	4	0.9242	100	0.225	Contact Map
3widA	4	0.9551	100	0.228	Contact Map
2dq4A	4	0.9354	100	0.228	Contact Map
3ip1A	4	0.9382	100	0.229	Contact Map
4cpdA	2	0.9326	100	0.23	Contact Map
1kolA	4	0.9522	100	0.232	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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