CURA - ECOLI - GREMLIN Contacts

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CURA - NADPH-dependent curcumin reductase

UniProt:	P76113	Sequences: MGQQKQRNRRWVLASRPHGAPVPENFRLEEDDVATPGEGQVLLRTVYLSLDPYMRGRMSDEPSYSPPVDIGGVMVGGTVSRVVESNHPDYQSGDWVLGYSGWQDYDISSGDDLVKLGDHPQNPSWSLGVLGMPGFTAYMGLLDIGQPKEGETLVVAAATGPVGATVGQIGKLKGCRVVGVAGGAEKCRHATEVLGFDVCLDHHADDFAEQLAKACPKGIDIYYENVGGKVFDAVLPLLNTSARIPVCGLVSSYNATELPPGPDRLPLLMATVLKKRIRLQGFIIAQDYGHRIHEFQREMGQWVKEDKIHYREEITDGLENAPQTFIGLLKGKNFGKVVIRVAGDD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13772
Length:	345 (300)
Sequences:	52489 (36368)
Seq/√Len:	2099.7

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
320_N	323_Q	3.061	1.00
46_V	122_N	2.952	1.00
44_R	83_V	2.884	1.00
46_V	81_R	2.819	1.00
42_L	83_V	2.724	1.00
171_K	197_D	2.678	1.00
41_V	113_L	2.676	1.00
152_T	176_R	2.590	1.00
121_Q	124_S	2.579	1.00
95_W	116_L	2.474	1.00
94_D	115_K	2.446	1.00
316_D	327_G	2.441	1.00
210_Q	213_K	2.390	1.00
91_Q	94_D	2.356	1.00
176_R	198_V	2.340	1.00
44_R	81_R	2.311	1.00
33_V	105_Y	2.236	1.00
123_P	315_T	2.216	1.00
44_R	105_Y	2.210	1.00
78_T	101_G	2.202	1.00
89_D	110_G	2.155	1.00
187_C	191_T	2.122	1.00
301_Q	305_E	2.110	1.00
153_L	170_G	2.108	1.00
317_G	320_N	2.077	1.00
148_K	151_E	2.032	1.00
167_G	196_F	2.009	1.00
37_G	40_Q	2.008	1.00
188_R	193_V	1.989	1.00
315_T	340_R	1.989	1.00
314_I	327_G	1.985	1.00
79_V	122_N	1.984	1.00
119_H	304_K	1.977	1.00
78_T	98_G	1.929	1.00
35_T	84_E	1.929	1.00
151_E	243_R	1.903	1.00
326_I	330_K	1.894	1.00
95_W	122_N	1.876	1.00
205_D	210_Q	1.842	1.00
134_G	165_T	1.841	1.00
184_A	188_R	1.824	1.00
18_H	29_E	1.819	1.00
154_V	180_V	1.815	1.00
323_Q	326_I	1.799	1.00
42_L	107_I	1.796	1.00
154_V	219_I	1.793	1.00
83_V	105_Y	1.791	1.00
316_D	324_T	1.776	1.00
59_S	329_L	1.774	1.00
188_R	191_T	1.752	1.00
178_V	219_I	1.724	1.00
220_D	239_N	1.719	1.00
187_C	199_C	1.713	1.00
116_L	122_N	1.709	1.00
238_L	244_I	1.683	1.00
327_G	332_K	1.662	1.00
181_A	187_C	1.657	1.00
323_Q	327_G	1.639	1.00
198_V	214_A	1.634	1.00
172_L	307_K	1.614	1.00
184_A	201_D	1.612	1.00
85_S	92_S	1.612	1.00
156_A	234_V	1.592	1.00
90_Y	115_K	1.581	1.00
36_P	107_I	1.580	1.00
243_R	278_R	1.580	1.00
206_D	209_E	1.576	1.00
189_H	193_V	1.576	1.00
145_G	221_I	1.566	1.00
123_P	340_R	1.536	1.00
40_Q	109_S	1.529	1.00
84_E	92_S	1.518	1.00
167_G	179_G	1.511	1.00
102_W	325_F	1.496	1.00
201_D	204_A	1.493	1.00
238_L	277_I	1.485	1.00
184_A	204_A	1.479	1.00
42_L	105_Y	1.474	1.00
243_R	280_Q	1.473	1.00
45_T	78_T	1.470	1.00
238_L	242_A	1.466	1.00
182_G	202_H	1.443	1.00
90_Y	94_D	1.441	1.00
81_R	95_W	1.434	1.00
36_P	42_L	1.427	1.00
95_W	118_D	1.426	1.00
313_E	327_G	1.414	1.00
39_G	109_S	1.407	1.00
116_L	127_L	1.404	1.00
40_Q	107_I	1.401	1.00
82_V	90_Y	1.390	1.00
222_Y	234_V	1.372	1.00
47_Y	123_P	1.356	1.00
322_P	326_I	1.350	1.00
222_Y	238_L	1.346	1.00
176_R	197_D	1.316	1.00
41_V	90_Y	1.300	1.00
152_T	178_V	1.299	1.00
58_M	325_F	1.298	1.00
159_T	179_G	1.295	1.00
42_L	84_E	1.290	1.00
209_E	213_K	1.274	1.00
81_R	122_N	1.261	1.00
47_Y	340_R	1.248	1.00
21_P	25_N	1.245	1.00
156_A	180_V	1.238	1.00
166_V	223_Y	1.230	1.00
36_P	40_Q	1.230	1.00
143_D	298_E	1.229	1.00
301_Q	304_K	1.227	1.00
147_P	175_C	1.220	1.00
172_L	302_W	1.217	1.00
90_Y	113_L	1.193	1.00
143_D	295_F	1.191	1.00
33_V	42_L	1.174	1.00
43_L	80_S	1.162	1.00
159_T	181_A	1.161	1.00
191_T	199_C	1.155	1.00
46_V	95_W	1.148	1.00
187_C	201_D	1.143	1.00
39_G	110_G	1.143	1.00
152_T	220_D	1.140	1.00
179_G	196_F	1.132	1.00
191_T	198_V	1.119	1.00
21_P	27_R	1.116	1.00
83_V	92_S	1.109	1.00
168_Q	309_H	1.099	1.00
210_Q	214_A	1.094	1.00
321_A	339_I	1.093	1.00
45_T	106_D	1.093	1.00
145_G	245_P	1.092	1.00
108_S	113_L	1.089	1.00
124_S	309_H	1.086	1.00
298_E	301_Q	1.081	1.00
18_H	27_R	1.079	1.00
293_H	297_R	1.076	1.00
50_L	324_T	1.068	1.00
184_A	187_C	1.066	1.00
28_L	319_E	1.053	1.00
58_M	329_L	1.045	1.00
151_E	220_D	1.044	1.00
47_Y	122_N	1.037	1.00
22_V	25_N	1.036	1.00
46_V	79_V	1.032	1.00
137_A	169_I	1.031	1.00
183_G	201_D	1.028	1.00
139_M	295_F	1.025	1.00
51_D	76_G	1.025	1.00
302_W	307_K	1.024	1.00
189_H	334_F	1.020	1.00
272_V	279_L	1.018	1.00
206_D	210_Q	1.017	1.00
144_I	278_R	1.016	1.00
51_D	77_G	1.016	1.00
182_G	203_H	1.015	1.00
43_L	96_V	1.008	1.00
226_V	230_V	1.004	1.00
102_W	321_A	1.001	1.00
317_G	340_R	0.997	1.00
236_P	271_T	0.990	1.00
48_L	102_W	0.989	1.00
297_R	301_Q	0.981	1.00
147_P	151_E	0.973	1.00
137_A	166_V	0.972	1.00
140_G	247_C	0.965	1.00
178_V	198_V	0.961	1.00
327_G	337_V	0.960	1.00
48_L	101_G	0.953	1.00
208_A	236_P	0.951	1.00
134_G	299_M	0.947	1.00
33_V	84_E	0.945	1.00
182_G	187_C	0.945	1.00
167_G	177_V	0.943	1.00
204_A	210_Q	0.942	1.00
224_E	227_G	0.938	1.00
47_Y	338_V	0.934	1.00
44_R	104_D	0.927	1.00
215_C	218_G	0.922	1.00
169_I	299_M	0.922	1.00
72_G	99_Y	0.918	1.00
170_G	175_C	0.918	1.00
155_V	166_V	0.917	1.00
55_R	328_L	0.906	1.00
155_V	170_G	0.905	1.00
180_V	202_H	0.896	1.00
102_W	339_I	0.894	1.00
120_P	127_L	0.891	1.00
208_A	233_A	0.890	1.00
193_V	309_H	0.890	1.00
87_H	110_G	0.888	1.00
211_L	219_I	0.886	1.00
130_L	303_V	0.886	1.00
326_I	329_L	0.886	1.00
49_S	77_G	0.883	1.00
35_T	42_L	0.883	1.00
181_A	199_C	0.882	1.00
156_A	222_Y	0.882	1.00
138_Y	298_E	0.881	1.00
91_Q	115_K	0.881	1.00
232_D	236_P	0.873	1.00
33_V	83_V	0.872	1.00
36_P	86_N	0.872	1.00
39_G	86_N	0.866	1.00
164_A	189_H	0.864	1.00
78_T	106_D	0.854	1.00
154_V	237_L	0.852	1.00
152_T	219_I	0.847	1.00
233_A	236_P	0.844	1.00
328_L	337_V	0.843	1.00
179_G	190_A	0.837	1.00
178_V	200_L	0.836	1.00
271_T	275_K	0.827	1.00
185_E	188_R	0.826	1.00
140_G	223_Y	0.826	1.00
241_S	276_R	0.824	1.00
208_A	212_A	0.824	1.00
186_K	334_F	0.820	1.00
28_L	318_L	0.815	1.00
190_A	196_F	0.814	1.00
31_D	99_Y	0.811	1.00
21_P	29_E	0.811	1.00
151_E	221_I	0.810	1.00
124_S	311_R	0.807	1.00
50_L	328_L	0.805	1.00
97_L	300_G	0.804	1.00
169_I	302_W	0.804	1.00
141_L	170_G	0.803	1.00
294_E	298_E	0.801	1.00
178_V	211_L	0.800	1.00
88_P	110_G	0.799	1.00
298_E	302_W	0.798	1.00
272_V	281_G	0.795	1.00
85_S	88_P	0.795	1.00
137_A	162_V	0.795	1.00
209_E	212_A	0.794	1.00
140_G	166_V	0.794	1.00
135_F	295_F	0.794	1.00
183_G	186_K	0.791	1.00
50_L	102_W	0.787	1.00
36_P	39_G	0.783	1.00
272_V	277_I	0.774	1.00
37_G	107_I	0.772	1.00
147_P	221_I	0.772	1.00
207_F	233_A	0.769	1.00
118_D	304_K	0.768	1.00
36_P	84_E	0.768	1.00
144_I	280_Q	0.766	1.00
51_D	54_M	0.763	1.00
316_D	320_N	0.760	1.00
120_P	303_V	0.759	1.00
159_T	190_A	0.758	1.00
137_A	165_T	0.754	1.00
206_D	233_A	0.754	1.00
302_W	305_E	0.753	1.00
31_D	73_V	0.752	1.00
170_G	177_V	0.749	1.00
85_S	91_Q	0.748	1.00
53_Y	76_G	0.748	1.00
178_V	214_A	0.744	1.00
153_L	175_C	0.741	1.00
17_P	25_N	0.740	1.00
51_D	132_M	0.738	1.00
41_V	110_G	0.737	1.00
77_G	132_M	0.736	1.00
152_T	217_K	0.735	1.00
208_A	237_L	0.734	1.00
314_I	323_Q	0.734	1.00
234_V	244_I	0.730	1.00
139_M	276_R	0.728	1.00
333_N	337_V	0.727	1.00
96_V	113_L	0.727	1.00
98_G	108_S	0.724	1.00
222_Y	244_I	0.724	1.00
327_G	330_K	0.723	1.00
177_V	197_D	0.723	1.00
316_D	339_I	0.717	1.00
302_W	306_D	0.716	1.00
294_E	297_R	0.716	1.00
21_P	24_E	0.715	1.00
114_V	297_R	0.713	1.00
225_N	247_C	0.710	1.00
217_K	239_N	0.708	1.00
155_V	179_G	0.704	1.00
169_I	173_K	0.702	1.00
312_E	315_T	0.702	1.00
221_I	245_P	0.701	1.00
117_G	304_K	0.699	1.00
76_G	132_M	0.693	1.00
219_I	222_Y	0.693	1.00
212_A	215_C	0.690	1.00
173_K	298_E	0.689	1.00
97_L	116_L	0.679	1.00
101_G	106_D	0.677	1.00
316_D	337_V	0.675	1.00
52_P	56_G	0.674	1.00
114_V	296_Q	0.672	1.00
181_A	190_A	0.671	1.00
137_A	141_L	0.671	1.00
314_I	337_V	0.668	1.00
211_L	237_L	0.665	1.00
114_V	300_G	0.665	1.00
231_F	244_I	0.664	1.00
97_L	131_G	0.663	1.00
146_Q	280_Q	0.663	1.00
146_Q	243_R	0.663	1.00
156_A	230_V	0.661	1.00
138_Y	299_M	0.661	1.00
24_E	326_I	0.660	1.00
20_A	70_I	0.657	1.00
212_A	218_G	0.657	1.00
95_W	119_H	0.656	1.00
79_V	116_L	0.655	1.00
187_C	190_A	0.655	1.00
175_C	221_I	0.654	1.00
138_Y	302_W	0.652	1.00
34_A	107_I	0.649	1.00
146_Q	278_R	0.645	1.00
257_E	268_L	0.644	1.00
41_V	82_V	0.643	1.00
136_T	162_V	0.643	1.00
240_T	275_K	0.642	1.00
19_G	27_R	0.640	1.00
79_V	95_W	0.640	1.00
37_G	86_N	0.636	1.00
132_M	136_T	0.635	1.00
47_Y	315_T	0.634	1.00
89_D	115_K	0.633	1.00
43_L	98_G	0.633	1.00
51_D	133_P	0.631	1.00
300_G	304_K	0.630	1.00
133_P	161_P	0.630	1.00
198_V	210_Q	0.630	1.00
171_K	177_V	0.629	1.00
145_G	243_R	0.628	1.00
129_V	338_V	0.623	1.00
167_G	194_L	0.622	1.00
229_K	232_D	0.618	1.00
94_D	118_D	0.618	1.00
219_I	237_L	0.618	1.00
28_L	321_A	0.618	1.00
89_D	293_H	0.617	1.00
39_G	111_D	0.615	1.00
187_C	202_H	0.614	1.00
167_G	190_A	0.613	1.00
47_Y	79_V	0.612	1.00
181_A	202_H	0.612	1.00
189_H	311_R	0.611	1.00
53_Y	57_R	0.610	1.00
246_V	279_L	0.610	1.00
19_G	25_N	0.608	1.00
34_A	42_L	0.607	1.00
116_L	128_G	0.606	1.00
89_D	92_S	0.604	1.00
189_H	194_L	0.604	1.00
164_A	311_R	0.603	1.00
325_F	329_L	0.602	1.00
224_E	244_I	0.601	1.00
138_Y	295_F	0.600	1.00
46_V	340_R	0.599	1.00
45_T	48_L	0.596	1.00
56_G	61_E	0.595	1.00
168_Q	194_L	0.595	1.00
69_D	72_G	0.590	1.00
200_L	205_D	0.590	1.00
222_Y	237_L	0.589	1.00
253_Y	268_L	0.589	1.00
271_T	277_I	0.588	1.00
180_V	200_L	0.588	1.00
207_F	211_L	0.586	1.00
34_A	105_Y	0.586	1.00
221_I	243_R	0.584	1.00
38_E	86_N	0.583	1.00
200_L	214_A	0.583	1.00
181_A	201_D	0.581	1.00
85_S	94_D	0.579	1.00
230_V	234_V	0.577	1.00
88_P	91_Q	0.577	1.00
159_T	167_G	0.576	1.00
303_V	310_Y	0.574	1.00
51_D	336_K	0.571	1.00
166_V	247_C	0.570	1.00
224_E	248_G	0.569	1.00
55_R	329_L	0.568	1.00
133_P	165_T	0.567	1.00
165_T	169_I	0.566	1.00
327_G	333_N	0.566	1.00
98_G	113_L	0.566	1.00
149_E	173_K	0.564	1.00
153_L	221_I	0.564	1.00
193_V	311_R	0.564	1.00
141_L	169_I	0.563	1.00
45_T	101_G	0.562	1.00
33_V	107_I	0.559	1.00
79_V	128_G	0.558	1.00
143_D	173_K	0.557	1.00
178_V	215_C	0.555	1.00
110_G	113_L	0.553	1.00
271_T	274_K	0.553	1.00
43_L	113_L	0.552	1.00
114_V	293_H	0.552	1.00
190_A	199_C	0.551	1.00
39_G	85_S	0.550	1.00
140_G	282_F	0.550	1.00
52_P	160_G	0.550	1.00
33_V	36_P	0.550	1.00
171_K	196_F	0.550	1.00
136_T	247_C	0.549	1.00
154_V	222_Y	0.549	1.00
273_L	281_G	0.549	1.00
303_V	308_I	0.548	1.00
53_Y	56_G	0.548	1.00
68_V	72_G	0.546	1.00
181_A	186_K	0.546	1.00
85_S	90_Y	0.545	1.00
268_L	271_T	0.538	1.00
17_P	21_P	0.537	1.00
26_F	325_F	0.535	1.00
152_T	215_C	0.534	1.00
75_V	102_W	0.533	1.00
159_T	186_K	0.530	1.00
73_V	100_S	0.530	1.00
245_P	282_F	0.530	1.00
48_L	339_I	0.529	1.00
270_A	273_L	0.529	1.00
23_P	326_I	0.529	1.00
17_P	20_A	0.528	1.00
32_D	35_T	0.527	1.00
45_T	98_G	0.525	1.00
90_Y	110_G	0.524	1.00
143_D	294_E	0.524	1.00
306_D	309_H	0.522	1.00
156_A	207_F	0.521	1.00
138_Y	173_K	0.520	1.00
17_P	72_G	0.519	1.00
98_G	106_D	0.518	1.00
129_V	310_Y	0.518	1.00
131_G	296_Q	0.517	1.00
87_H	90_Y	0.516	1.00
43_L	78_T	0.515	1.00
55_R	59_S	0.513	1.00
150_G	175_C	0.512	1.00
116_L	120_P	0.510	1.00
316_D	323_Q	0.509	1.00
165_T	168_Q	0.509	1.00
200_L	207_F	0.508	1.00
324_T	339_I	0.503	1.00
182_G	201_D	0.501	1.00
200_L	210_Q	0.501	1.00
90_Y	96_V	0.501	1.00
282_F	286_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
4gi2A	2	0.9449	100	0.235	Contact Map
3nx4A	2	0.9043	100	0.236	Contact Map
3uogA	4	0.8986	100	0.236	Contact Map
4j6fA	2	0.9275	100	0.239	Contact Map
1yb5A	3	0.913	100	0.239	Contact Map
4a27A	2	0.8783	100	0.242	Contact Map
4dupA	2	0.9304	100	0.242	Contact Map
3ukoA	4	0.9188	100	0.244	Contact Map
4jxkA	2	0.913	100	0.251	Contact Map
1tt7A	5	0.9188	100	0.253	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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