BCSA - BACSU - GREMLIN Contacts

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BCSA - Putative chalcone synthase

UniProt:	P54157	Sequences: MAFILSIGTSLPAYNVNQEKAAEFARYMFQHSFKDIDRLLSSFKNGQIHSRQFVKPIEWYKEGHSFEEKNQIYIEETLKHSRAAVRECLSHPEFFQEAIPYEKVEAVFFVSSTGLSTPSIEARLMNELPFSPYTKRIPIWGLGCAGGASGLARAAEYCKAYPEAFVLVISAELCSLTFQPEDKTKSNLIGTSLFGDGIAAALLCGEKADRRVSKLKLAPKIMDAQSVLMKQSEDVMGWDFTDQGFKVIFSRDIPTLVEKWLKTNVQIFLDKHKLSFHDISVFLAHPGGKKVIDAYIKSLGLSSEKLSSAQSILQKHGNMSSATILYVIKDHLQNGHKKEAERGLIGALGPGFSSELLLFSWEKGA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	365 (292)
Sequences:	20653 (14298)
Seq/√Len:	836.7

ECOLI - FABH FABF
BACSU - BCSA FABH2 PKSG FABH1 FABF
SULSO - Y535

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
335_G	338_K	3.902	1.00
342_R	360_S	3.437	1.00
88_C	202_L	3.051	1.00
165_F	204_C	2.922	1.00
82_R	127_E	2.888	1.00
84_A	198_I	2.712	1.00
85_V	167_L	2.626	1.00
156_E	160_A	2.458	1.00
275_S	278_D	2.389	1.00
155_A	159_K	2.347	1.00
329_K	333_Q	2.158	1.00
81_S	124_L	2.110	1.00
86_R	90_S	2.084	1.00
278_D	342_R	2.076	1.00
152_A	234_D	2.075	1.00
274_L	342_R	2.033	1.00
151_L	328_I	2.023	1.00
226_S	332_L	1.964	1.00
331_H	343_G	1.959	1.00
61_K	67_E	1.942	1.00
204_C	222_M	1.927	1.00
46_G	49_H	1.923	1.00
100_P	103_K	1.893	1.00
84_A	200_A	1.878	1.00
66_F	74_I	1.871	1.00
137_I	153_R	1.850	1.00
312_I	326_Y	1.849	1.00
208_A	211_R	1.827	1.00
38_R	42_S	1.818	1.00
125_M	136_R	1.812	1.00
199_A	325_L	1.768	1.00
151_L	203_L	1.765	1.00
205_G	208_A	1.742	1.00
154_A	166_V	1.722	1.00
195_G	319_M	1.714	1.00
56_P	60_Y	1.709	1.00
158_C	205_G	1.667	1.00
111_S	120_I	1.665	1.00
319_M	326_Y	1.658	1.00
57_I	61_K	1.644	1.00
280_S	341_E	1.621	1.00
121_E	138_P	1.619	1.00
77_T	171_A	1.619	1.00
262_K	266_Q	1.619	1.00
39_L	42_S	1.598	1.00
297_K	309_A	1.594	1.00
38_R	43_F	1.588	1.00
150_G	168_V	1.572	1.00
149_S	355_E	1.570	1.00
281_V	331_H	1.567	1.00
82_R	124_L	1.559	1.00
56_P	59_W	1.559	1.00
338_K	341_E	1.549	1.00
197_G	319_M	1.539	1.00
165_F	202_L	1.522	1.00
157_Y	163_E	1.501	1.00
152_A	156_E	1.489	1.00
266_Q	270_D	1.479	1.00
83_A	86_R	1.478	1.00
156_E	162_P	1.475	1.00
156_E	159_K	1.459	1.00
158_C	203_L	1.455	1.00
68_E	315_K	1.455	1.00
47_Q	50_S	1.452	1.00
38_R	41_S	1.442	1.00
79_K	127_E	1.436	1.00
57_I	60_Y	1.426	1.00
106_A	166_V	1.425	1.00
302_S	305_K	1.425	1.00
37_D	42_S	1.402	1.00
37_D	43_F	1.397	1.00
91_H	225_Q	1.395	1.00
163_E	166_V	1.394	1.00
36_I	43_F	1.390	1.00
81_S	200_A	1.390	1.00
82_R	86_R	1.385	1.00
87_E	91_H	1.381	1.00
85_V	200_A	1.369	1.00
204_C	220_K	1.362	1.00
315_K	330_D	1.361	1.00
124_L	169_I	1.359	1.00
169_I	200_A	1.338	1.00
122_A	351_G	1.336	1.00
301_L	306_L	1.324	1.00
147_G	325_L	1.321	1.00
36_I	42_S	1.312	1.00
274_L	278_D	1.307	1.00
267_I	271_K	1.307	1.00
199_A	329_K	1.301	1.00
296_I	303_S	1.288	1.00
201_A	328_I	1.283	1.00
91_H	332_L	1.275	1.00
337_K	340_A	1.273	1.00
167_L	202_L	1.269	1.00
268_F	356_L	1.263	1.00
232_S	360_S	1.263	1.00
194_F	320_S	1.262	1.00
316_H	326_Y	1.252	1.00
344_L	356_L	1.250	1.00
107_V	111_S	1.247	1.00
154_A	168_V	1.240	1.00
88_C	200_A	1.239	1.00
37_D	40_L	1.233	1.00
36_I	39_L	1.230	1.00
103_K	165_F	1.228	1.00
164_A	205_G	1.227	1.00
39_L	43_F	1.218	1.00
268_F	358_L	1.214	1.00
157_Y	162_P	1.211	1.00
142_L	145_A	1.208	1.00
105_E	165_F	1.205	1.00
99_I	165_F	1.201	1.00
201_A	325_L	1.186	1.00
85_V	128_L	1.185	1.00
105_E	109_F	1.180	1.00
87_E	90_S	1.176	1.00
152_A	162_P	1.173	1.00
301_L	305_K	1.161	1.00
345_I	359_F	1.161	1.00
84_A	87_E	1.157	1.00
85_V	88_C	1.156	1.00
156_E	271_K	1.155	1.00
36_I	329_K	1.155	1.00
139_I	153_R	1.149	1.00
108_F	111_S	1.145	1.00
264_N	268_F	1.143	1.00
206_E	210_R	1.132	1.00
269_L	279_I	1.132	1.00
153_R	156_E	1.130	1.00
86_R	127_E	1.128	1.00
168_V	203_L	1.127	1.00
36_I	40_L	1.125	1.00
42_S	45_N	1.121	1.00
50_S	53_F	1.120	1.00
263_T	267_I	1.119	1.00
269_L	274_L	1.119	1.00
171_A	198_I	1.119	1.00
151_L	168_V	1.118	1.00
49_H	52_Q	1.118	1.00
92_P	99_I	1.102	1.00
235_V	268_F	1.101	1.00
76_E	79_K	1.096	1.00
289_K	293_D	1.093	1.00
88_C	167_L	1.093	1.00
164_A	208_A	1.089	1.00
268_F	272_H	1.089	1.00
91_H	333_Q	1.084	1.00
78_L	120_I	1.083	1.00
44_K	47_Q	1.075	1.00
36_I	41_S	1.075	1.00
260_W	263_T	1.074	1.00
80_H	198_I	1.073	1.00
67_E	314_Q	1.073	1.00
301_L	304_E	1.067	1.00
88_C	92_P	1.067	1.00
272_H	358_L	1.067	1.00
280_S	342_R	1.066	1.00
81_S	109_F	1.065	1.00
269_L	276_F	1.056	1.00
107_V	110_V	1.054	1.00
89_L	202_L	1.050	1.00
331_H	334_N	1.047	1.00
80_H	173_L	1.032	1.00
81_S	120_I	1.027	1.00
225_Q	332_L	1.026	1.00
197_G	326_Y	1.025	1.00
149_S	353_S	1.018	1.00
108_F	157_Y	1.017	1.00
264_N	356_L	1.016	1.00
41_S	44_K	1.007	1.00
106_A	157_Y	1.007	1.00
55_K	59_W	1.005	1.00
266_Q	276_F	1.003	1.00
283_L	327_V	1.001	1.00
312_I	330_D	0.999	1.00
55_K	58_E	0.999	1.00
335_G	339_E	0.994	1.00
46_G	50_S	0.993	1.00
119_S	253_I	0.993	1.00
37_D	44_K	0.992	1.00
43_F	46_G	0.990	1.00
36_I	44_K	0.989	1.00
293_D	303_S	0.987	1.00
105_E	164_A	0.976	1.00
99_I	202_L	0.976	1.00
58_E	62_E	0.972	1.00
83_A	87_E	0.970	1.00
122_A	136_R	0.968	1.00
328_I	345_I	0.967	1.00
147_G	201_A	0.961	1.00
38_R	44_K	0.960	1.00
71_Q	180_P	0.947	1.00
85_V	169_I	0.944	1.00
279_I	342_R	0.941	1.00
319_M	322_A	0.941	1.00
223_D	226_S	0.939	1.00
224_A	228_L	0.937	1.00
81_S	169_I	0.932	1.00
91_H	223_D	0.930	1.00
143_G	350_P	0.929	1.00
170_S	325_L	0.929	1.00
281_V	341_E	0.925	1.00
328_I	359_F	0.922	1.00
37_D	45_N	0.922	1.00
52_Q	55_K	0.919	1.00
89_L	128_L	0.918	1.00
63_G	86_R	0.914	1.00
86_R	101_Y	0.914	1.00
49_H	53_F	0.914	1.00
38_R	45_N	0.905	1.00
265_V	344_L	0.904	1.00
131_S	263_T	0.899	1.00
346_G	356_L	0.897	1.00
48_I	53_F	0.896	1.00
211_R	220_K	0.895	1.00
274_L	358_L	0.894	1.00
56_P	61_K	0.884	1.00
335_G	340_A	0.880	1.00
154_A	203_L	0.880	1.00
89_L	104_V	0.877	1.00
86_R	128_L	0.876	1.00
148_A	357_L	0.873	1.00
155_A	228_L	0.868	1.00
37_D	41_S	0.861	1.00
109_F	169_I	0.860	1.00
119_S	350_P	0.849	1.00
145_A	353_S	0.848	1.00
82_R	128_L	0.845	1.00
81_S	171_A	0.840	1.00
279_I	344_L	0.839	1.00
151_L	357_L	0.836	1.00
99_I	103_K	0.835	1.00
43_F	48_I	0.833	1.00
55_K	60_Y	0.827	1.00
89_L	167_L	0.817	1.00
85_V	124_L	0.816	1.00
39_L	45_N	0.812	1.00
279_I	358_L	0.807	1.00
47_Q	52_Q	0.805	1.00
105_E	108_F	0.804	1.00
103_K	164_A	0.800	1.00
50_S	54_V	0.800	1.00
278_D	339_E	0.798	1.00
186_S	189_I	0.797	1.00
237_G	354_S	0.796	1.00
48_I	52_Q	0.796	1.00
72_I	173_L	0.795	1.00
265_V	269_L	0.793	1.00
101_Y	104_V	0.792	1.00
109_F	120_I	0.792	1.00
258_E	298_S	0.790	1.00
344_L	358_L	0.790	1.00
300_G	303_S	0.787	1.00
87_E	329_K	0.780	1.00
303_S	306_L	0.779	1.00
199_A	322_A	0.777	1.00
108_F	154_A	0.777	1.00
239_D	242_D	0.776	1.00
119_S	122_A	0.769	1.00
40_L	44_K	0.767	1.00
55_K	61_K	0.760	1.00
36_I	45_N	0.759	1.00
153_R	157_Y	0.754	1.00
121_E	136_R	0.751	1.00
123_R	127_E	0.750	1.00
172_E	320_S	0.749	1.00
42_S	46_G	0.747	1.00
109_F	112_S	0.747	1.00
173_L	176_L	0.746	1.00
149_S	236_M	0.745	1.00
148_A	355_E	0.742	1.00
167_L	200_A	0.740	1.00
269_L	358_L	0.738	1.00
330_D	334_N	0.738	1.00
43_F	47_Q	0.734	1.00
107_V	112_S	0.734	1.00
44_K	48_I	0.733	1.00
109_F	113_T	0.730	1.00
269_L	272_H	0.730	1.00
192_S	320_S	0.715	1.00
158_C	161_Y	0.713	1.00
45_N	49_H	0.713	1.00
53_F	56_P	0.712	1.00
165_F	168_V	0.712	1.00
41_S	47_Q	0.709	1.00
149_S	153_R	0.707	1.00
59_W	62_E	0.705	1.00
43_F	49_H	0.705	1.00
234_D	357_L	0.704	1.00
48_I	54_V	0.704	1.00
259_K	263_T	0.701	1.00
142_L	149_S	0.700	1.00
267_I	270_D	0.700	1.00
79_K	83_A	0.699	1.00
296_I	306_L	0.695	1.00
47_Q	53_F	0.693	1.00
312_I	316_H	0.689	1.00
170_S	322_A	0.685	1.00
58_E	61_K	0.685	1.00
232_S	235_V	0.685	1.00
92_P	98_A	0.685	1.00
75_E	79_K	0.684	1.00
234_D	237_G	0.682	1.00
41_S	45_N	0.681	1.00
162_P	271_K	0.681	1.00
106_A	109_F	0.680	1.00
232_S	237_G	0.679	1.00
105_E	163_E	0.679	1.00
137_I	142_L	0.675	1.00
225_Q	228_L	0.674	1.00
42_S	70_N	0.673	1.00
42_S	47_Q	0.673	1.00
45_N	48_I	0.671	1.00
332_L	337_K	0.671	1.00
37_D	46_G	0.669	1.00
238_W	242_D	0.669	1.00
206_E	209_D	0.668	1.00
40_L	43_F	0.665	1.00
201_A	329_K	0.664	1.00
104_V	165_F	0.664	1.00
92_P	202_L	0.663	1.00
291_V	295_Y	0.663	1.00
107_V	113_T	0.661	1.00
39_L	44_K	0.658	1.00
117_T	140_W	0.654	1.00
78_L	114_G	0.642	1.00
258_E	262_K	0.641	1.00
110_V	150_G	0.640	1.00
38_R	46_G	0.639	1.00
89_L	101_Y	0.638	1.00
39_L	48_I	0.638	1.00
108_F	114_G	0.635	1.00
259_K	262_K	0.635	1.00
289_K	314_Q	0.635	1.00
77_T	173_L	0.633	1.00
69_K	72_I	0.631	1.00
238_W	241_T	0.631	1.00
108_F	112_S	0.631	1.00
263_T	266_Q	0.629	1.00
38_R	316_H	0.629	1.00
265_V	346_G	0.627	1.00
108_F	113_T	0.627	1.00
75_E	83_A	0.627	1.00
265_V	299_L	0.623	1.00
44_K	49_H	0.622	1.00
274_L	279_I	0.622	1.00
240_F	244_G	0.617	1.00
76_E	80_H	0.616	1.00
307_S	327_V	0.612	1.00
52_Q	56_P	0.611	1.00
40_L	75_E	0.610	1.00
53_F	191_T	0.609	1.00
78_L	123_R	0.607	1.00
106_A	135_K	0.607	1.00
172_E	194_F	0.603	1.00
44_K	68_E	0.602	1.00
89_L	130_F	0.600	1.00
126_N	222_M	0.600	1.00
57_I	62_E	0.599	1.00
239_D	243_Q	0.599	1.00
38_R	48_I	0.599	1.00
36_I	46_G	0.597	1.00
81_S	85_V	0.597	1.00
294_A	297_K	0.594	1.00
293_D	296_I	0.592	1.00
292_I	306_L	0.592	1.00
151_L	325_L	0.592	1.00
206_E	227_V	0.591	1.00
112_S	117_T	0.591	1.00
38_R	47_Q	0.591	1.00
221_I	227_V	0.588	1.00
56_P	62_E	0.587	1.00
37_D	80_H	0.583	1.00
132_P	135_K	0.583	1.00
49_H	54_V	0.579	1.00
243_Q	255_T	0.578	1.00
336_H	340_A	0.573	1.00
172_E	321_S	0.573	1.00
101_Y	130_F	0.566	1.00
343_G	359_F	0.566	1.00
41_S	46_G	0.566	1.00
111_S	138_P	0.565	1.00
289_K	292_I	0.559	1.00
269_L	344_L	0.558	1.00
116_S	140_W	0.556	1.00
311_S	314_Q	0.554	1.00
147_G	170_S	0.553	1.00
207_K	210_R	0.552	1.00
221_I	224_A	0.552	1.00
41_S	73_Y	0.552	1.00
302_S	306_L	0.550	1.00
78_L	82_R	0.550	1.00
144_C	285_H	0.548	1.00
289_K	311_S	0.548	1.00
220_K	223_D	0.546	1.00
107_V	115_L	0.546	1.00
54_V	58_E	0.543	1.00
174_C	194_F	0.543	1.00
107_V	157_Y	0.543	1.00
118_P	143_G	0.541	1.00
255_T	291_V	0.541	1.00
208_A	220_K	0.538	1.00
135_K	163_E	0.538	1.00
80_H	171_A	0.537	1.00
220_K	227_V	0.536	1.00
236_M	355_E	0.535	1.00
46_G	53_F	0.531	1.00
99_I	204_C	0.530	1.00
224_A	227_V	0.525	1.00
180_P	187_N	0.525	1.00
221_I	226_S	0.524	1.00
77_T	120_I	0.524	1.00
233_E	237_G	0.521	1.00
40_L	45_N	0.519	1.00
325_L	328_I	0.517	1.00
342_R	358_L	0.517	1.00
312_I	327_V	0.517	1.00
301_L	307_S	0.516	1.00
200_A	325_L	0.515	1.00
43_F	71_Q	0.515	1.00
189_I	192_S	0.514	1.00
280_S	305_K	0.513	1.00
175_S	196_D	0.511	1.00
116_S	119_S	0.511	1.00
331_H	337_K	0.511	1.00
159_K	271_K	0.511	1.00
108_F	137_I	0.510	1.00
235_V	264_N	0.510	1.00
294_A	298_S	0.509	1.00
329_K	332_L	0.508	1.00
42_S	68_E	0.507	1.00
102_E	131_S	0.507	1.00
282_F	344_L	0.506	1.00
54_V	60_Y	0.502	1.00
36_I	47_Q	0.502	1.00
284_A	311_S	0.502	1.00
277_H	303_S	0.502	1.00
104_V	130_F	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
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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
4jaqD	2	0.9534	100	0.227	Contact Map
1u0mA	2	0.9507	100	0.233	Contact Map
3v7iA	2	0.9397	100	0.237	Contact Map
1ee0A	2	0.9726	100	0.262	Contact Map
3wd8A	2	0.9699	100	0.262	Contact Map
1xesA	2	0.9726	100	0.263	Contact Map
2d3mA	2	0.9671	100	0.265	Contact Map
3oitA	2	0.9507	100	0.266	Contact Map
2p0uA	2	0.9699	100	0.267	Contact Map
3ov2A	3	0.9726	100	0.267	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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