YBFF - ECOLI - GREMLIN Contacts

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YBFF - Esterase YbfF

UniProt:	P75736	Sequences: MKLNIRAQTAQNQHNNSPIVLVHGLFGSLDNLGVLARDLVNDHNIIQVDMRNHGLSPRDPVMNYPAMAQDLVDTLDAQQIDKATFIGHSMGGKAVMALTALASDRIDKLVAIDIAPVDYHVRRHDEIFAAINAVSESDAQTRQQAAAIMRQHLNEEGVIQFLLKSFVDGEWRFNVPVLWDQYPHIVGWEKIPAWDHPALFIPGGNSPYVSEQYRDDLLAQFPQARAHVIAGAGHWVHAEKPDAVLRAIRRYLND	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11776
Length:	254 (237)
Sequences:	58340 (48477)
Seq/√Len:	3148.9

ECOLI - YBFF RUTD BIOH MHPC PLDB MENH YCJY YFHR YJFP
BACSU - RSBQ YUGF YDJP YBFK NAP YFHM YISY YRAK YCGS PLBAC YVAM MENH YBDG YBAC YCLE YQJL EST YQKD CAH
HALSA - Q9HPT9 Q9HHP4 Q9HRJ0 Q9HPY2
SULSO - PIP Q7LXY9 Q97WG0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
84_T	108_K	4.786	1.00
51_R	70_D	4.635	1.00
35_L	245_L	3.611	1.00
113_D	206_S	3.006	1.00
72_V	98_L	2.910	1.00
204_G	230_A	2.907	1.00
240_K	243_A	2.802	1.00
84_T	107_D	2.652	1.00
227_H	247_A	2.637	1.00
112_I	244_V	2.613	1.00
82_K	107_D	2.602	1.00
12_N	44_N	2.578	1.00
92_G	114_I	2.453	1.00
199_L	251_Y	2.436	1.00
229_I	247_A	2.405	1.00
75_L	83_A	2.324	1.00
76_D	105_R	2.250	1.00
98_L	102_A	2.230	1.00
42_D	249_R	2.163	1.00
218_L	224_A	2.114	1.00
69_Q	101_L	2.061	1.00
204_G	228_V	2.059	1.00
72_V	102_A	2.059	1.00
85_F	95_V	2.049	1.00
84_T	110_V	2.023	1.00
232_A	240_K	1.937	1.00
72_V	105_R	1.906	1.00
18_P	46_I	1.898	1.00
95_V	109_L	1.891	1.00
23_H	53_H	1.886	1.00
72_V	76_D	1.855	1.00
99_T	109_L	1.810	1.00
38_D	245_L	1.753	1.00
43_H	84_T	1.746	1.00
48_V	71_L	1.708	1.00
110_V	248_I	1.673	1.00
97_A	101_L	1.667	1.00
23_H	50_M	1.664	1.00
211_E	228_V	1.661	1.00
199_L	227_H	1.633	1.00
71_L	98_L	1.633	1.00
198_A	221_F	1.601	1.00
18_P	44_N	1.590	1.00
65_P	101_L	1.577	1.00
84_T	252_L	1.556	1.00
247_A	250_R	1.549	1.00
246_R	250_R	1.546	1.00
102_A	105_R	1.541	1.00
17_S	84_T	1.536	1.00
50_M	94_A	1.536	1.00
216_D	220_Q	1.534	1.00
18_P	80_I	1.533	1.00
22_V	50_M	1.527	1.00
22_V	95_V	1.512	1.00
21_L	86_I	1.497	1.00
27_G	31_N	1.465	1.00
98_L	106_I	1.463	1.00
36_A	47_Q	1.452	1.00
190_K	193_A	1.403	1.00
46_I	74_T	1.385	1.00
111_A	114_I	1.385	1.00
26_F	53_H	1.369	1.00
76_D	102_A	1.365	1.00
204_G	231_G	1.350	1.00
63_N	66_A	1.339	1.00
29_L	49_D	1.334	1.00
29_L	55_L	1.328	1.00
80_I	83_A	1.323	1.00
68_A	97_A	1.320	1.00
88_H	237_H	1.320	1.00
38_D	41_N	1.317	1.00
26_F	89_S	1.316	1.00
17_S	107_D	1.308	1.00
243_A	247_A	1.296	1.00
21_L	45_I	1.295	1.00
98_L	105_R	1.288	1.00
75_L	80_I	1.282	1.00
13_Q	16_N	1.274	1.00
38_D	249_R	1.272	1.00
74_T	78_Q	1.266	1.00
48_V	74_T	1.263	1.00
215_D	219_A	1.262	1.00
22_V	71_L	1.260	1.00
20_V	75_L	1.249	1.00
229_I	232_A	1.245	1.00
202_P	214_R	1.226	1.00
49_D	54_G	1.219	1.00
110_V	199_L	1.192	1.00
97_A	100_A	1.190	1.00
96_M	111_A	1.170	1.00
221_F	224_A	1.164	1.00
244_V	248_I	1.144	1.00
100_A	190_K	1.123	1.00
211_E	215_D	1.121	1.00
83_A	106_I	1.120	1.00
201_I	229_I	1.111	1.00
192_P	220_Q	1.106	1.00
75_L	98_L	1.104	1.00
243_A	246_R	1.099	1.00
16_N	44_N	1.089	1.00
232_A	236_V	1.088	1.00
38_D	242_D	1.086	1.00
31_N	237_H	1.077	1.00
86_I	112_I	1.064	1.00
29_L	47_Q	1.056	1.00
216_D	219_A	1.051	1.00
46_I	78_Q	1.047	1.00
201_I	247_A	1.045	1.00
12_N	16_N	1.036	1.00
40_V	45_I	1.031	1.00
89_S	234_H	1.024	1.00
232_A	239_E	1.023	1.00
109_L	198_A	1.021	1.00
68_A	94_A	1.021	1.00
215_D	228_V	1.018	1.00
88_H	235_W	1.017	1.00
19_I	43_H	1.014	1.00
20_V	83_A	1.008	1.00
202_P	211_E	0.993	1.00
83_A	105_R	0.977	1.00
233_G	239_E	0.976	1.00
242_D	246_R	0.975	1.00
34_V	37_R	0.974	1.00
160_Q	164_K	0.967	1.00
72_V	101_L	0.965	1.00
229_I	240_K	0.963	1.00
17_S	43_H	0.962	1.00
112_I	237_H	0.962	1.00
225_R	247_A	0.961	1.00
86_I	248_I	0.956	1.00
202_P	226_A	0.950	1.00
20_V	71_L	0.949	1.00
18_P	43_H	0.946	1.00
33_G	47_Q	0.944	1.00
202_P	228_V	0.944	1.00
19_I	86_I	0.942	1.00
205_N	231_G	0.940	1.00
125_D	129_A	0.940	1.00
229_I	243_A	0.937	1.00
11_Q	14_H	0.935	1.00
218_L	226_A	0.932	1.00
215_D	226_A	0.921	1.00
43_H	252_L	0.913	1.00
23_H	48_V	0.913	1.00
17_S	82_K	0.908	1.00
65_P	97_A	0.898	1.00
176_P	180_D	0.884	1.00
29_L	48_V	0.879	1.00
19_I	45_I	0.879	1.00
24_G	89_S	0.878	1.00
174_N	177_V	0.875	1.00
99_T	106_I	0.871	1.00
97_A	190_K	0.869	1.00
160_Q	163_L	0.868	1.00
22_V	85_F	0.861	1.00
87_G	95_V	0.859	1.00
22_V	48_V	0.854	1.00
50_M	90_M	0.845	1.00
87_G	92_G	0.845	1.00
72_V	75_L	0.844	1.00
14_H	44_N	0.843	1.00
36_A	40_V	0.841	1.00
214_R	226_A	0.836	1.00
199_L	225_R	0.835	1.00
227_H	250_R	0.835	1.00
200_F	224_A	0.820	1.00
68_A	101_L	0.819	1.00
85_F	98_L	0.816	1.00
215_D	218_L	0.814	1.00
73_D	77_A	0.805	1.00
108_K	197_P	0.803	1.00
17_S	108_K	0.798	1.00
227_H	243_A	0.791	1.00
156_E	160_Q	0.785	1.00
146_A	150_R	0.785	1.00
112_I	236_V	0.780	1.00
36_A	45_I	0.779	1.00
66_A	69_Q	0.775	1.00
127_I	131_I	0.774	1.00
212_Q	215_D	0.774	1.00
50_M	53_H	0.773	1.00
79_Q	82_K	0.770	1.00
113_D	236_V	0.767	1.00
201_I	244_V	0.761	1.00
25_L	90_M	0.759	1.00
106_I	196_H	0.759	1.00
128_F	131_I	0.757	1.00
128_F	132_N	0.757	1.00
18_P	83_A	0.757	1.00
26_F	90_M	0.749	1.00
177_V	180_D	0.748	1.00
69_Q	73_D	0.745	1.00
178_L	181_Q	0.744	1.00
50_M	67_M	0.744	1.00
44_N	80_I	0.744	1.00
21_L	32_L	0.738	1.00
37_R	40_V	0.738	1.00
143_Q	146_A	0.737	1.00
46_I	80_I	0.735	1.00
143_Q	147_A	0.734	1.00
141_T	144_Q	0.734	1.00
67_M	90_M	0.734	1.00
231_G	240_K	0.733	1.00
20_V	85_F	0.731	1.00
113_D	202_P	0.729	1.00
110_V	252_L	0.728	1.00
194_W	198_A	0.727	1.00
49_D	55_L	0.725	1.00
41_N	249_R	0.724	1.00
30_D	33_G	0.724	1.00
171_W	174_N	0.723	1.00
73_D	76_D	0.723	1.00
69_Q	72_V	0.719	1.00
86_I	110_V	0.718	1.00
108_K	252_L	0.716	1.00
181_Q	184_H	0.715	1.00
35_L	38_D	0.713	1.00
144_Q	148_I	0.707	1.00
156_E	159_I	0.706	1.00
241_P	245_L	0.704	1.00
161_F	165_S	0.701	1.00
148_I	152_H	0.700	1.00
140_Q	144_Q	0.695	1.00
161_F	164_K	0.694	1.00
194_W	221_F	0.694	1.00
159_I	163_L	0.694	1.00
19_I	39_L	0.691	1.00
108_K	251_Y	0.690	1.00
81_D	105_R	0.686	1.00
12_N	15_N	0.686	1.00
68_A	98_L	0.683	1.00
126_E	129_A	0.683	1.00
142_R	146_A	0.682	1.00
129_A	132_N	0.681	1.00
43_H	249_R	0.679	1.00
37_R	41_N	0.678	1.00
85_F	106_I	0.677	1.00
51_R	67_M	0.676	1.00
203_G	236_V	0.675	1.00
21_L	39_L	0.675	1.00
50_M	71_L	0.669	1.00
87_G	91_G	0.667	1.00
127_I	134_V	0.663	1.00
185_I	188_W	0.662	1.00
113_D	203_G	0.662	1.00
165_S	168_D	0.661	1.00
74_T	77_A	0.660	1.00
96_M	116_P	0.660	1.00
195_D	222_P	0.659	1.00
127_I	130_A	0.656	1.00
49_D	56_S	0.652	1.00
111_A	200_F	0.651	1.00
99_T	196_H	0.650	1.00
225_R	250_R	0.648	1.00
88_H	112_I	0.646	1.00
172_R	176_P	0.645	1.00
88_H	113_D	0.645	1.00
200_F	226_A	0.641	1.00
147_A	150_R	0.638	1.00
31_N	88_H	0.637	1.00
21_L	47_Q	0.632	1.00
96_M	114_I	0.631	1.00
245_L	249_R	0.622	1.00
19_I	84_T	0.618	1.00
35_L	244_V	0.617	1.00
93_K	115_A	0.611	1.00
83_A	107_D	0.610	1.00
99_T	194_W	0.609	1.00
15_N	44_N	0.607	1.00
69_Q	102_A	0.606	1.00
89_S	235_W	0.605	1.00
139_A	145_A	0.604	1.00
11_Q	16_N	0.602	1.00
75_L	105_R	0.601	1.00
42_D	45_I	0.599	1.00
162_L	166_F	0.598	1.00
200_F	218_L	0.598	1.00
204_G	211_E	0.594	1.00
230_A	243_A	0.592	1.00
100_A	193_A	0.590	1.00
65_P	69_Q	0.589	1.00
173_F	177_V	0.588	1.00
138_D	141_T	0.588	1.00
13_Q	44_N	0.587	1.00
130_A	134_V	0.586	1.00
165_S	169_G	0.580	1.00
83_A	98_L	0.580	1.00
144_Q	147_A	0.576	1.00
140_Q	143_Q	0.575	1.00
159_I	162_L	0.574	1.00
128_F	135_S	0.572	1.00
59_D	62_M	0.572	1.00
19_I	252_L	0.572	1.00
149_M	153_L	0.570	1.00
32_L	36_A	0.570	1.00
176_P	179_W	0.570	1.00
180_D	183_P	0.569	1.00
246_R	249_R	0.568	1.00
64_Y	97_A	0.567	1.00
189_E	192_P	0.559	1.00
90_M	94_A	0.558	1.00
201_I	227_H	0.558	1.00
23_H	32_L	0.553	1.00
68_A	72_V	0.551	1.00
126_E	130_A	0.551	1.00
129_A	133_A	0.550	1.00
213_Y	216_D	0.548	1.00
32_L	35_L	0.547	1.00
121_V	125_D	0.547	1.00
127_I	132_N	0.546	1.00
138_D	142_R	0.541	1.00
184_H	187_G	0.540	1.00
27_G	235_W	0.536	1.00
101_L	190_K	0.534	1.00
32_L	86_I	0.534	1.00
177_V	181_Q	0.533	1.00
82_K	105_R	0.533	1.00
164_K	167_V	0.532	1.00
28_S	53_H	0.531	1.00
110_V	201_I	0.531	1.00
150_R	153_L	0.530	1.00
131_I	134_V	0.528	1.00
33_G	37_R	0.527	1.00
64_Y	94_A	0.525	1.00
174_N	181_Q	0.524	1.00
147_A	151_Q	0.522	1.00
214_R	218_L	0.520	1.00
67_M	94_A	0.520	1.00
126_E	132_N	0.519	1.00
22_V	94_A	0.518	1.00
200_F	214_R	0.517	1.00
51_R	59_D	0.517	1.00
237_H	244_V	0.516	1.00
102_A	106_I	0.516	1.00
11_Q	47_Q	0.516	1.00
181_Q	185_I	0.516	1.00
158_V	162_L	0.515	1.00
92_G	111_A	0.514	1.00
158_V	161_F	0.513	1.00
142_R	145_A	0.513	1.00
108_K	199_L	0.511	1.00
114_I	217_L	0.511	1.00
139_A	143_Q	0.510	1.00
236_V	244_V	0.509	1.00
30_D	55_L	0.507	1.00
149_M	152_H	0.504	1.00
25_L	53_H	0.504	1.00
202_P	209_V	0.504	1.00
110_V	251_Y	0.504	1.00
179_W	183_P	0.503	1.00
11_Q	29_L	0.502	1.00
178_L	182_Y	0.502	1.00
57_P	62_M	0.502	1.00
52_N	62_M	0.501	1.00
145_A	148_I	0.501	1.00
248_I	252_L	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
3bf7A	1	1	100	0.116	Contact Map
4inzA	1	1	100	0.14	Contact Map
1ehyA	1	0.9724	100	0.143	Contact Map
3oosA	1	0.9921	100	0.147	Contact Map
3om8A	4	0.9921	100	0.165	Contact Map
2pujA	4	0.9764	100	0.17	Contact Map
2xuaA	2	0.9882	100	0.173	Contact Map
1iupA	2	0.9606	100	0.173	Contact Map
4psuA	1	0.9882	100	0.178	Contact Map
2wueA	4	0.9921	100	0.182	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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