BDHA - BACSU - GREMLIN Contacts

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BDHA - (R,R)-butanediol dehydrogenase

UniProt:	O34788	Sequences: MKAARWHNQKDIRIEHIEEPKTEPGKVKIKVKWCGICGSDLHEYLGGPIFIPVDKPHPLTNETAPVTMGHEFSGEVVEVGEGVENYKVGDRVVVEPIFATHGHQGAYNLDEQMGFLGLAGGGGGFSEYVSVDEELLFKLPDELSYEQGALVEPSAVALYAVRSSKLKAGDKAAVFGCGPIGLLVIEALKAAGATDIYAVELSPERQQKAEELGAIIVDPSKTDDVVAEIAERTGGGVDVAFEVTGVPVVLRQAIQSTTIAGETVIVSIWEKGAEIHPNDIVIKERTVKGIIGYRDIFPAVLSLMKEGYFSADKLVTKKIVLDDLIEEGFGALIKEKSQVKILVRPN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	346 (301)
Sequences:	52811 (36223)
Seq/√Len:	2087.9

ECOLI - YBDR RSPB GATD YDJJ YDJL ADHP YPHC TDH FRMA YJJN YGGP AHR YAHK IDND YCJQ QOR1 ACUI CURA
BACSU - BDHA YJMD DHSO ADHB TDH YYCR ADHA YOGA YHFP YFMJ
HALSA - Q9HMB6 Q9HP38 Q9HQS8 Q9HR85 GLCDH
SULSO - Q97YT7 Q97ZV3 ADH Q7LXK1 Q97XR4 Q97VV5 Q97VW0 Q97TZ4 Q97V32 GLCD2 Q97WA1 Q97YM2 GLCD1 GLCD3 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
323_D	327_E	2.986	1.00
32_K	145_Y	2.882	1.00
30_K	77_V	2.808	1.00
32_K	75_E	2.747	1.00
28_K	77_V	2.667	1.00
27_V	136_L	2.597	1.00
189_K	215_I	2.573	1.00
171_K	195_D	2.514	1.00
144_S	147_Q	2.510	1.00
7_H	15_E	2.491	1.00
91_R	139_L	2.392	1.00
90_D	138_K	2.372	1.00
87_K	90_D	2.364	1.00
319_I	331_A	2.318	1.00
228_E	231_E	2.308	1.00
30_K	75_E	2.264	1.00
195_D	216_I	2.260	1.00
146_E	318_K	2.216	1.00
19_E	128_Y	2.200	1.00
30_K	128_Y	2.173	1.00
72_F	124_G	2.169	1.00
207_Q	211_E	2.151	1.00
85_N	133_E	2.098	1.00
167_K	170_D	2.093	1.00
172_A	188_L	2.080	1.00
302_S	306_E	2.066	1.00
317_K	331_A	2.052	1.00
177_C	198_A	2.050	1.00
206_Q	210_E	2.049	1.00
7_H	13_R	2.036	1.00
25_G	82_G	2.005	1.00
185_I	214_A	2.004	1.00
320_V	323_D	1.991	1.00
24_P	81_E	1.985	1.00
318_K	344_R	1.964	1.00
23_E	26_K	1.959	1.00
5_R	15_E	1.939	1.00
142_E	305_K	1.931	1.00
72_F	94_V	1.916	1.00
73_S	145_Y	1.909	1.00
91_R	145_Y	1.907	1.00
24_P	82_G	1.899	1.00
207_Q	210_E	1.866	1.00
330_G	334_K	1.850	1.00
21_K	78_E	1.824	1.00
170_D	262_E	1.785	1.00
173_A	237_V	1.779	1.00
28_K	130_S	1.769	1.00
77_V	128_Y	1.755	1.00
173_A	199_V	1.740	1.00
327_E	330_G	1.733	1.00
45_L	333_I	1.728	1.00
203_P	207_Q	1.718	1.00
206_Q	217_V	1.693	1.00
238_D	258_T	1.676	1.00
319_I	328_G	1.676	1.00
190_A	308_Y	1.671	1.00
200_E	206_Q	1.642	1.00
155_A	183_L	1.642	1.00
139_L	145_Y	1.642	1.00
197_Y	237_V	1.634	1.00
327_E	331_A	1.617	1.00
331_A	336_K	1.615	1.00
257_T	263_T	1.600	1.00
262_E	286_T	1.593	1.00
203_P	219_P	1.591	1.00
80_G	83_V	1.591	1.00
216_I	232_R	1.579	1.00
175_F	253_A	1.579	1.00
223_D	228_E	1.567	1.00
86_Y	138_K	1.559	1.00
139_L	148_G	1.555	1.00
164_S	239_V	1.549	1.00
4_A	324_L	1.541	1.00
147_Q	312_D	1.537	1.00
79_V	88_V	1.510	1.00
208_K	211_E	1.510	1.00
224_D	227_A	1.501	1.00
26_K	132_D	1.485	1.00
262_E	288_K	1.483	1.00
146_E	344_R	1.481	1.00
257_T	285_R	1.471	1.00
22_T	130_S	1.467	1.00
78_E	88_V	1.464	1.00
31_V	72_F	1.453	1.00
28_K	128_Y	1.453	1.00
86_Y	90_D	1.446	1.00
125_F	329_F	1.443	1.00
257_T	261_G	1.434	1.00
203_P	222_T	1.430	1.00
91_R	141_D	1.430	1.00
75_E	91_R	1.398	1.00
22_T	28_K	1.388	1.00
219_P	222_T	1.385	1.00
25_G	132_D	1.376	1.00
26_K	130_S	1.371	1.00
240_A	253_A	1.368	1.00
76_V	86_Y	1.330	1.00
33_W	146_E	1.319	1.00
326_E	330_G	1.316	1.00
185_I	198_A	1.315	1.00
44_Y	329_F	1.305	1.00
240_A	257_T	1.302	1.00
316_T	331_A	1.299	1.00
195_D	215_I	1.297	1.00
27_V	86_Y	1.288	1.00
28_K	78_E	1.280	1.00
227_A	231_E	1.263	1.00
33_W	344_R	1.258	1.00
75_E	145_Y	1.250	1.00
171_K	197_Y	1.236	1.00
201_L	220_S	1.235	1.00
302_S	305_K	1.231	1.00
184_V	241_F	1.225	1.00
201_L	206_Q	1.224	1.00
190_A	303_L	1.210	1.00
162_R	299_A	1.210	1.00
175_F	199_V	1.206	1.00
4_A	14_I	1.173	1.00
151_V	304_M	1.168	1.00
162_R	296_I	1.164	1.00
32_K	91_R	1.150	1.00
206_Q	219_P	1.147	1.00
86_Y	136_L	1.147	1.00
166_L	193_A	1.145	1.00
19_E	28_K	1.137	1.00
22_T	26_K	1.135	1.00
171_K	238_D	1.116	1.00
203_P	206_Q	1.114	1.00
131_V	136_L	1.094	1.00
210_E	217_V	1.091	1.00
29_I	74_G	1.080	1.00
31_V	129_V	1.073	1.00
77_V	88_V	1.071	1.00
8_N	11_D	1.067	1.00
198_A	214_A	1.067	1.00
228_E	232_R	1.061	1.00
299_A	302_S	1.057	1.00
164_S	264_V	1.057	1.00
25_G	133_E	1.056	1.00
14_I	322_D	1.050	1.00
36_I	328_G	1.036	1.00
170_D	238_D	1.029	1.00
294_R	298_P	1.024	1.00
44_Y	333_I	1.024	1.00
324_L	343_V	1.020	1.00
33_W	145_Y	1.018	1.00
159_Y	296_I	1.018	1.00
211_E	313_K	1.009	1.00
303_L	308_Y	1.007	1.00
157_A	187_A	1.005	1.00
255_Q	279_D	1.005	1.00
320_V	344_R	1.005	1.00
163_S	286_T	1.003	1.00
233_T	236_G	1.002	1.00
208_K	338_Q	1.001	1.00
37_C	70_H	1.000	1.00
4_A	321_L	0.999	1.00
224_D	228_E	0.998	1.00
37_C	71_E	0.998	1.00
210_E	216_I	0.995	1.00
244_T	249_V	0.983	1.00
29_I	92_V	0.978	1.00
34_C	125_F	0.977	1.00
32_K	73_S	0.971	1.00
298_P	302_S	0.965	1.00
157_A	184_V	0.964	1.00
166_L	170_D	0.963	1.00
34_C	124_G	0.963	1.00
177_C	200_E	0.949	1.00
5_R	17_I	0.945	1.00
79_V	83_V	0.938	1.00
188_L	193_A	0.936	1.00
125_F	324_L	0.936	1.00
160_A	266_V	0.936	1.00
226_V	255_Q	0.934	1.00
222_T	228_E	0.930	1.00
174_V	184_V	0.926	1.00
66_V	122_G	0.926	1.00
242_E	245_G	0.925	1.00
143_L	148_G	0.921	1.00
331_A	341_I	0.920	1.00
19_E	78_E	0.919	1.00
84_E	133_E	0.912	1.00
83_V	133_E	0.910	1.00
33_W	342_L	0.908	1.00
251_R	255_Q	0.907	1.00
197_Y	216_I	0.904	1.00
185_I	196_I	0.900	1.00
330_G	333_I	0.894	1.00
174_V	188_L	0.891	1.00
41_L	332_L	0.891	1.00
5_R	67_T	0.887	1.00
187_A	300_V	0.882	1.00
226_V	252_Q	0.881	1.00
87_K	138_K	0.880	1.00
25_G	80_G	0.879	1.00
177_C	209_A	0.875	1.00
175_F	240_A	0.873	1.00
30_K	127_E	0.870	1.00
229_I	237_V	0.866	1.00
199_V	220_S	0.860	1.00
35_G	71_E	0.860	1.00
158_L	299_A	0.860	1.00
173_A	256_S	0.860	1.00
200_E	217_V	0.859	1.00
125_F	343_V	0.855	1.00
21_K	28_K	0.855	1.00
201_L	221_K	0.855	1.00
7_H	11_D	0.854	1.00
252_Q	255_Q	0.853	1.00
202_S	205_R	0.850	1.00
177_C	185_I	0.850	1.00
19_E	77_V	0.844	1.00
202_S	219_P	0.840	1.00
182_L	208_K	0.837	1.00
160_A	241_F	0.836	1.00
171_K	237_V	0.834	1.00
17_I	122_G	0.833	1.00
72_F	129_V	0.830	1.00
280_I	287_V	0.828	1.00
332_L	341_I	0.826	1.00
197_Y	218_D	0.823	1.00
204_E	207_Q	0.817	1.00
93_V	301_L	0.810	1.00
279_D	283_K	0.806	1.00
141_D	305_K	0.804	1.00
205_R	338_Q	0.802	1.00
170_D	239_V	0.802	1.00
198_A	209_A	0.801	1.00
226_V	230_A	0.790	1.00
187_A	303_L	0.788	1.00
260_A	284_E	0.788	1.00
25_G	81_E	0.787	1.00
295_D	299_A	0.787	1.00
36_I	332_L	0.786	1.00
209_A	214_A	0.785	1.00
163_S	288_K	0.777	1.00
319_I	323_D	0.773	1.00
37_C	40_D	0.770	1.00
299_A	303_L	0.769	1.00
14_I	321_L	0.763	1.00
4_A	12_I	0.762	1.00
23_E	130_S	0.759	1.00
157_A	183_L	0.758	1.00
253_A	263_T	0.754	1.00
295_D	298_P	0.754	1.00
225_V	252_Q	0.754	1.00
160_A	184_V	0.749	1.00
197_Y	229_I	0.746	1.00
161_V	188_L	0.745	1.00
157_A	180_I	0.744	1.00
143_L	304_M	0.744	1.00
166_L	239_V	0.743	1.00
276_H	279_D	0.737	1.00
36_I	125_F	0.737	1.00
201_L	209_A	0.736	1.00
172_A	193_A	0.735	1.00
303_L	307_G	0.734	1.00
240_A	263_T	0.734	1.00
224_D	252_Q	0.732	1.00
92_V	136_L	0.732	1.00
226_V	256_S	0.731	1.00
39_S	70_H	0.728	1.00
175_F	249_V	0.728	1.00
22_T	78_E	0.726	1.00
17_I	67_T	0.724	1.00
197_Y	232_R	0.724	1.00
303_L	306_E	0.722	1.00
227_A	230_A	0.721	1.00
319_I	343_V	0.721	1.00
73_S	149_A	0.721	1.00
94_V	131_V	0.718	1.00
248_V	252_Q	0.716	1.00
165_K	262_E	0.715	1.00
196_I	215_I	0.714	1.00
79_V	87_K	0.707	1.00
317_K	327_E	0.706	1.00
191_A	299_A	0.705	1.00
152_E	155_A	0.705	1.00
37_C	153_P	0.704	1.00
159_Y	284_E	0.704	1.00
331_A	334_K	0.702	1.00
237_V	240_A	0.701	1.00
93_V	139_L	0.701	1.00
315_V	318_K	0.691	1.00
243_V	266_V	0.691	1.00
22_T	80_G	0.690	1.00
187_A	191_A	0.685	1.00
157_A	161_V	0.685	1.00
239_V	264_V	0.685	1.00
193_A	196_I	0.684	1.00
265_I	287_V	0.683	1.00
319_I	341_I	0.683	1.00
188_L	196_I	0.682	1.00
4_A	326_E	0.681	1.00
137_F	298_P	0.676	1.00
27_V	133_E	0.674	1.00
137_F	297_F	0.673	1.00
70_H	153_P	0.670	1.00
158_L	300_V	0.670	1.00
174_V	198_A	0.669	1.00
165_K	288_K	0.663	1.00
91_R	142_E	0.661	1.00
124_G	129_V	0.655	1.00
133_E	136_L	0.652	1.00
280_I	289_G	0.649	1.00
38_G	42_H	0.649	1.00
85_N	138_K	0.647	1.00
27_V	76_V	0.646	1.00
144_S	148_G	0.646	1.00
229_I	256_S	0.646	1.00
90_D	141_D	0.643	1.00
317_K	341_I	0.643	1.00
137_F	301_L	0.642	1.00
10_K	330_G	0.641	1.00
165_K	286_T	0.639	1.00
193_A	239_V	0.639	1.00
250_L	263_T	0.638	1.00
158_L	303_L	0.637	1.00
6_W	11_D	0.637	1.00
259_I	283_K	0.635	1.00
33_W	318_K	0.634	1.00
301_L	305_K	0.633	1.00
200_E	219_P	0.631	1.00
155_A	300_V	0.631	1.00
73_S	139_L	0.630	1.00
20_P	130_S	0.626	1.00
251_R	279_D	0.625	1.00
32_K	344_R	0.623	1.00
33_W	73_S	0.622	1.00
73_S	91_R	0.622	1.00
280_I	285_R	0.621	1.00
206_Q	220_S	0.620	1.00
208_K	212_L	0.620	1.00
140_P	305_K	0.620	1.00
85_N	294_R	0.619	1.00
164_S	262_E	0.619	1.00
189_K	196_I	0.619	1.00
93_V	152_E	0.618	1.00
29_I	94_V	0.615	1.00
152_E	156_V	0.615	1.00
216_I	228_E	0.615	1.00
329_F	333_I	0.614	1.00
25_G	134_E	0.610	1.00
156_V	180_I	0.610	1.00
272_G	276_H	0.607	1.00
31_V	34_C	0.602	1.00
85_N	88_V	0.600	1.00
246_V	249_V	0.600	1.00
230_A	236_G	0.599	1.00
95_E	137_F	0.598	1.00
200_E	220_S	0.597	1.00
237_V	256_S	0.597	1.00
242_E	263_T	0.597	1.00
158_L	296_I	0.595	1.00
184_V	266_V	0.595	1.00
39_S	43_E	0.593	1.00
186_E	212_L	0.593	1.00
199_V	218_D	0.591	1.00
251_R	274_E	0.591	1.00
9_Q	330_G	0.590	1.00
230_A	233_T	0.589	1.00
240_A	256_S	0.588	1.00
239_V	262_E	0.588	1.00
337_S	341_I	0.587	1.00
206_Q	209_A	0.587	1.00
42_H	47_G	0.586	1.00
200_E	209_A	0.586	1.00
37_C	154_S	0.585	1.00
182_L	314_L	0.582	1.00
151_V	155_A	0.578	1.00
20_P	128_Y	0.577	1.00
185_I	212_L	0.575	1.00
154_S	340_K	0.574	1.00
14_I	324_L	0.572	1.00
249_V	253_A	0.570	1.00
151_V	300_V	0.568	1.00
162_R	191_A	0.566	1.00
22_T	82_G	0.565	1.00
84_E	87_K	0.562	1.00
173_A	240_A	0.561	1.00
41_L	333_I	0.560	1.00
8_N	13_R	0.559	1.00
162_R	295_D	0.558	1.00
39_S	42_H	0.557	1.00
172_A	239_V	0.556	1.00
86_Y	133_E	0.555	1.00
209_A	217_V	0.554	1.00
20_P	28_K	0.551	1.00
168_A	192_G	0.551	1.00
18_E	21_K	0.551	1.00
67_T	123_G	0.550	1.00
154_S	183_L	0.550	1.00
38_G	178_G	0.550	1.00
156_V	266_V	0.550	1.00
242_E	267_S	0.547	1.00
225_V	229_I	0.547	1.00
19_E	130_S	0.546	1.00
279_D	282_I	0.546	1.00
29_I	136_L	0.545	1.00
34_C	343_V	0.544	1.00
153_P	156_V	0.544	1.00
161_V	187_A	0.543	1.00
208_K	314_L	0.543	1.00
323_D	326_E	0.539	1.00
94_V	136_L	0.539	1.00
79_V	90_D	0.539	1.00
62_E	66_V	0.537	1.00
43_E	48_P	0.537	1.00
218_D	232_R	0.534	1.00
189_K	214_A	0.531	1.00
317_K	338_Q	0.531	1.00
19_E	22_T	0.531	1.00
150_L	342_L	0.528	1.00
69_G	125_F	0.528	1.00
168_A	191_A	0.527	1.00
183_L	187_A	0.527	1.00
158_L	191_A	0.526	1.00
282_I	291_I	0.526	1.00
171_K	233_T	0.526	1.00
185_I	209_A	0.525	1.00
169_G	193_A	0.524	1.00
31_V	94_V	0.523	1.00
145_Y	148_G	0.521	1.00
197_Y	233_T	0.521	1.00
218_D	223_D	0.518	1.00
183_L	186_E	0.517	1.00
29_I	72_F	0.516	1.00
331_A	337_S	0.516	1.00
37_C	340_K	0.514	1.00
63_T	66_V	0.514	1.00
264_V	290_I	0.513	1.00
201_L	219_P	0.513	1.00
279_D	285_R	0.512	1.00
132_D	135_L	0.511	1.00
304_M	309_F	0.510	1.00
20_P	26_K	0.510	1.00
73_S	148_G	0.510	1.00
144_S	318_K	0.510	1.00
248_V	251_R	0.509	1.00
175_F	225_V	0.506	1.00
165_K	170_D	0.505	1.00
137_F	294_R	0.504	1.00
316_T	339_V	0.503	1.00
139_L	143_L	0.503	1.00
218_D	228_E	0.503	1.00
182_L	212_L	0.503	1.00
200_E	205_R	0.501	1.00
36_I	343_V	0.501	1.00
281_V	289_G	0.500	1.00
31_V	124_G	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
4ilkA	2	0.9509	100	0.158	Contact Map
4ej6A	1	0.9566	100	0.159	Contact Map
2dq4A	4	0.9624	100	0.164	Contact Map
4oh1A	4	0.9595	100	0.175	Contact Map
1e3jA	4	0.9682	100	0.176	Contact Map
3m6iA	4	0.9682	100	0.179	Contact Map
3ukoA	4	0.9595	100	0.18	Contact Map
4uejA	2	0.9566	100	0.181	Contact Map
1f8fA	4	0.9538	100	0.182	Contact Map
4gkvA	4	0.9451	100	0.183	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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