YBFK - BACSU - GREMLIN Contacts

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YBFK - Carboxylesterase YbfK

UniProt:	O31452	Sequences: MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARGAESYIKWITGDSYDLHPLLQRQIVAGVEWQDEQRSLKPTENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	296 (254)
Sequences:	58544 (48392)
Seq/√Len:	3036.3

ECOLI - RUTD MHPC PLDB YBFF BIOH MENH YCJY YFHR
BACSU - YBFK NAP YUGF YFHM RSBQ YBAC YCGS MENH YISY YDJP YVAM YRAK YBDG YQJL PLBAC YCLE EST YQKD
HALSA - Q9HPT9 Q9HHP4 Q9HRJ0
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
48_A	82_R	4.910	1.00
124_H	148_R	4.307	1.00
89_I	110_W	3.738	1.00
73_N	284_N	3.026	1.00
112_K	138_F	2.864	1.00
242_E	269_K	2.831	1.00
279_Q	282_Y	2.746	1.00
266_E	286_R	2.666	1.00
124_H	147_E	2.639	1.00
122_T	147_E	2.603	1.00
153_S	244_E	2.489	1.00
237_L	290_F	2.446	1.00
152_I	283_V	2.419	1.00
268_V	286_R	2.413	1.00
43_K	96_I	2.338	1.00
112_K	145_R	2.132	1.00
138_F	142_A	2.128	1.00
115_F	123_A	2.114	1.00
112_K	142_A	2.106	1.00
47_I	67_S	2.105	1.00
112_K	116_D	2.102	1.00
257_S	263_I	2.031	1.00
125_L	135_I	2.029	1.00
116_D	145_R	1.999	1.00
132_G	154_P	1.986	1.00
38_S	43_K	1.982	1.00
242_E	267_I	1.942	1.00
45_H	94_K	1.937	1.00
80_Q	288_L	1.902	1.00
46_I	114_V	1.880	1.00
109_E	141_R	1.842	1.00
40_R	113_D	1.829	1.00
76_A	284_N	1.822	1.00
137_N	141_R	1.812	1.00
48_A	84_Y	1.793	1.00
55_P	124_H	1.777	1.00
124_H	291_L	1.757	1.00
271_A	279_Q	1.750	1.00
55_P	147_E	1.712	1.00
56_S	120_L	1.705	1.00
56_S	84_Y	1.693	1.00
124_H	150_V	1.687	1.00
249_Q	267_I	1.679	1.00
139_L	149_A	1.673	1.00
49_S	85_A	1.661	1.00
61_H	91_D	1.639	1.00
237_L	266_E	1.637	1.00
81_F	124_H	1.621	1.00
105_A	141_R	1.620	1.00
236_V	260_V	1.612	1.00
135_I	149_A	1.605	1.00
61_H	88_I	1.603	1.00
45_H	67_S	1.594	1.00
286_R	289_S	1.586	1.00
88_I	134_H	1.549	1.00
65_F	69_M	1.519	1.00
255_R	259_L	1.508	1.00
103_T	106_D	1.507	1.00
45_H	87_D	1.506	1.00
285_Q	289_S	1.498	1.00
56_S	82_R	1.486	1.00
60_L	111_M	1.485	1.00
60_L	88_I	1.472	1.00
86_V	111_M	1.449	1.00
138_F	146_V	1.446	1.00
108_A	137_N	1.410	1.00
142_A	145_R	1.394	1.00
76_A	79_S	1.374	1.00
111_M	138_F	1.357	1.00
228_E	231_S	1.338	1.00
76_A	288_L	1.332	1.00
60_L	135_I	1.325	1.00
150_V	287_V	1.313	1.00
79_S	288_L	1.313	1.00
282_Y	286_R	1.311	1.00
64_L	91_D	1.306	1.00
50_G	82_R	1.300	1.00
138_F	145_R	1.283	1.00
67_S	87_D	1.276	1.00
151_V	154_P	1.261	1.00
128_L	276_S	1.255	1.00
136_V	151_V	1.238	1.00
44_T	110_W	1.236	1.00
59_L	126_A	1.229	1.00
84_Y	114_V	1.221	1.00
129_S	273_H	1.216	1.00
74_I	85_A	1.215	1.00
49_S	74_I	1.208	1.00
137_N	140_L	1.208	1.00
59_L	83_T	1.191	1.00
116_D	142_A	1.188	1.00
64_L	129_S	1.184	1.00
282_Y	285_Q	1.183	1.00
67_S	94_K	1.178	1.00
126_A	152_I	1.172	1.00
150_V	237_L	1.163	1.00
249_Q	254_E	1.154	1.00
260_V	263_I	1.145	1.00
174_G	177_G	1.138	1.00
254_E	258_V	1.131	1.00
58_I	115_F	1.130	1.00
193_H	196_L	1.129	1.00
57_L	81_F	1.125	1.00
230_K	259_L	1.104	1.00
86_V	114_V	1.104	1.00
120_L	123_A	1.102	1.00
80_Q	292_C	1.101	1.00
55_P	81_F	1.087	1.00
239_M	268_V	1.066	1.00
87_D	93_N	1.065	1.00
283_V	287_V	1.055	1.00
67_S	85_A	1.050	1.00
268_V	271_A	1.050	1.00
62_G	129_S	1.046	1.00
281_E	285_Q	1.046	1.00
114_V	118_L	1.042	1.00
76_A	281_E	1.031	1.00
123_A	146_V	1.029	1.00
257_S	265_A	1.028	1.00
140_L	228_E	1.016	1.00
105_A	137_N	1.013	1.00
211_R	215_P	1.008	1.00
240_F	253_F	1.007	1.00
51_P	82_R	0.994	1.00
60_L	125_L	0.993	1.00
55_P	122_T	0.986	1.00
264_Q	286_R	0.984	1.00
240_F	265_A	0.983	1.00
255_R	258_V	0.977	1.00
46_I	118_L	0.968	1.00
128_L	274_L	0.965	1.00
115_F	120_L	0.965	1.00
240_F	249_Q	0.962	1.00
115_F	138_F	0.961	1.00
240_F	267_I	0.955	1.00
266_E	289_S	0.954	1.00
72_P	75_A	0.954	1.00
237_L	264_Q	0.953	1.00
126_A	287_V	0.946	1.00
78_S	83_T	0.942	1.00
49_S	78_S	0.942	1.00
272_G	278_E	0.933	1.00
254_E	265_A	0.932	1.00
173_T	177_G	0.929	1.00
69_M	276_S	0.926	1.00
51_P	54_A	0.924	1.00
112_K	141_R	0.920	1.00
58_I	123_A	0.916	1.00
194_P	198_R	0.912	1.00
113_D	117_S	0.912	1.00
214_K	218_N	0.910	1.00
71_Y	85_A	0.907	1.00
254_E	267_I	0.906	1.00
268_V	282_Y	0.904	1.00
81_F	291_L	0.897	1.00
37_V	46_I	0.896	1.00
44_T	95_S	0.894	1.00
113_D	116_D	0.894	1.00
217_E	220_F	0.892	1.00
288_L	292_C	0.892	1.00
112_K	115_F	0.886	1.00
60_L	86_V	0.880	1.00
108_A	134_H	0.879	1.00
152_I	276_S	0.874	1.00
148_R	235_P	0.872	1.00
271_A	278_E	0.872	1.00
215_P	218_N	0.871	1.00
123_A	145_R	0.869	1.00
101_M	106_D	0.861	1.00
84_Y	118_L	0.861	1.00
174_G	178_A	0.848	1.00
199_Q	202_A	0.846	1.00
137_N	228_E	0.845	1.00
254_E	257_S	0.843	1.00
57_L	83_T	0.841	1.00
177_G	180_S	0.840	1.00
239_M	286_R	0.838	1.00
127_G	135_I	0.838	1.00
152_I	275_L	0.833	1.00
242_E	270_N	0.829	1.00
38_S	41_F	0.824	1.00
109_E	112_K	0.822	1.00
55_P	148_R	0.821	1.00
213_L	216_T	0.820	1.00
106_D	109_E	0.815	1.00
39_T	113_D	0.815	1.00
58_I	111_M	0.809	1.00
213_L	217_E	0.807	1.00
88_I	130_L	0.807	1.00
56_S	81_F	0.805	1.00
39_T	42_G	0.805	1.00
57_L	126_A	0.803	1.00
125_L	138_F	0.796	1.00
271_A	275_L	0.794	1.00
149_A	236_V	0.793	1.00
266_E	282_Y	0.790	1.00
198_R	201_V	0.787	1.00
238_L	263_I	0.785	1.00
181_Y	185_I	0.780	1.00
139_L	146_V	0.772	1.00
201_V	205_E	0.771	1.00
75_A	78_S	0.770	1.00
198_R	202_A	0.768	1.00
74_I	78_S	0.767	1.00
119_G	122_T	0.763	1.00
179_E	183_K	0.761	1.00
176_R	180_S	0.760	1.00
212_S	217_E	0.759	1.00
166_Y	170_A	0.759	1.00
127_G	132_G	0.753	1.00
216_T	219_G	0.751	1.00
210_Q	214_K	0.741	1.00
109_E	113_D	0.741	1.00
108_A	141_R	0.741	1.00
67_S	86_V	0.740	1.00
241_G	275_L	0.738	1.00
54_A	82_R	0.738	1.00
199_Q	203_G	0.737	1.00
253_F	265_A	0.734	1.00
178_A	181_Y	0.734	1.00
233_Q	261_P	0.731	1.00
212_S	215_P	0.728	1.00
169_A	172_L	0.727	1.00
74_I	83_T	0.726	1.00
165_V	169_A	0.724	1.00
81_F	292_C	0.721	1.00
203_G	206_W	0.720	1.00
225_T	228_E	0.719	1.00
227_Q	230_K	0.719	1.00
42_G	89_I	0.716	1.00
68_A	71_Y	0.715	1.00
44_T	89_I	0.708	1.00
214_K	217_E	0.707	1.00
250_Q	254_E	0.702	1.00
37_V	117_S	0.701	1.00
150_V	291_L	0.698	1.00
108_A	138_F	0.690	1.00
165_V	168_Y	0.689	1.00
64_L	130_L	0.688	1.00
209_E	212_S	0.688	1.00
159_I	163_P	0.688	1.00
270_N	279_Q	0.686	1.00
180_S	184_W	0.684	1.00
175_A	179_E	0.684	1.00
197_Q	201_V	0.684	1.00
105_A	109_E	0.682	1.00
45_H	95_S	0.680	1.00
128_L	152_I	0.679	1.00
168_Y	171_E	0.679	1.00
148_R	290_F	0.678	1.00
63_G	130_L	0.678	1.00
284_N	288_L	0.677	1.00
73_N	76_A	0.677	1.00
59_L	70_W	0.675	1.00
42_G	96_I	0.674	1.00
48_A	52_K	0.673	1.00
157_A	160_S	0.673	1.00
56_S	123_A	0.670	1.00
268_V	279_Q	0.669	1.00
47_I	71_Y	0.668	1.00
81_F	288_L	0.666	1.00
121_E	145_R	0.663	1.00
40_R	109_E	0.663	1.00
243_H	270_N	0.661	1.00
160_S	163_P	0.659	1.00
37_V	42_G	0.657	1.00
107_F	130_L	0.655	1.00
125_L	146_V	0.654	1.00
57_L	291_L	0.652	1.00
153_S	240_F	0.652	1.00
128_L	153_S	0.651	1.00
84_Y	120_L	0.651	1.00
178_A	182_I	0.650	1.00
183_K	187_G	0.650	1.00
53_D	82_R	0.644	1.00
167_K	171_E	0.643	1.00
173_T	176_R	0.640	1.00
70_W	74_I	0.638	1.00
178_A	185_I	0.638	1.00
153_S	275_L	0.638	1.00
178_A	184_W	0.637	1.00
165_V	172_L	0.635	1.00
242_E	249_Q	0.633	1.00
88_I	107_F	0.632	1.00
139_L	234_V	0.632	1.00
148_R	291_L	0.632	1.00
88_I	91_D	0.630	1.00
239_M	283_V	0.628	1.00
71_Y	75_A	0.627	1.00
54_A	80_Q	0.624	1.00
197_Q	200_I	0.624	1.00
180_S	183_K	0.623	1.00
87_D	94_K	0.623	1.00
184_W	187_G	0.623	1.00
176_R	179_E	0.620	1.00
177_G	184_W	0.617	1.00
211_R	214_K	0.617	1.00
57_L	124_H	0.616	1.00
49_S	75_A	0.616	1.00
82_R	120_L	0.614	1.00
146_V	234_V	0.613	1.00
73_N	283_V	0.610	1.00
163_P	167_K	0.610	1.00
153_S	241_G	0.609	1.00
285_Q	288_L	0.608	1.00
181_Y	184_W	0.605	1.00
127_G	131_G	0.603	1.00
89_I	107_F	0.599	1.00
150_V	290_F	0.597	1.00
215_P	219_G	0.596	1.00
200_I	203_G	0.594	1.00
132_G	151_V	0.594	1.00
224_F	228_E	0.594	1.00
58_I	125_L	0.591	1.00
104_R	137_N	0.591	1.00
126_A	150_V	0.588	1.00
136_V	154_P	0.587	1.00
195_L	199_Q	0.585	1.00
244_E	273_H	0.582	1.00
123_A	138_F	0.580	1.00
52_K	82_R	0.576	1.00
47_I	68_A	0.574	1.00
123_A	147_E	0.574	1.00
61_H	86_V	0.572	1.00
59_L	85_A	0.568	1.00
264_Q	289_S	0.567	1.00
109_E	142_A	0.562	1.00
202_A	206_W	0.561	1.00
238_L	265_A	0.560	1.00
196_L	199_Q	0.560	1.00
40_R	106_D	0.559	1.00
48_A	118_L	0.556	1.00
224_F	227_Q	0.554	1.00
280_P	284_N	0.554	1.00
70_W	73_N	0.553	1.00
133_S	155_A	0.553	1.00
47_I	85_A	0.551	1.00
182_I	185_I	0.551	1.00
200_I	204_V	0.548	1.00
166_Y	169_A	0.548	1.00
216_T	220_F	0.546	1.00
177_G	185_I	0.545	1.00
239_M	266_E	0.545	1.00
251_M	255_R	0.544	1.00
107_F	134_H	0.543	1.00
190_Y	194_P	0.543	1.00
140_L	231_S	0.542	1.00
164_D	167_K	0.542	1.00
276_S	283_V	0.540	1.00
108_A	112_K	0.540	1.00
58_I	86_V	0.540	1.00
129_S	274_L	0.539	1.00
212_S	216_T	0.538	1.00
177_G	186_T	0.538	1.00
150_V	239_M	0.536	1.00
158_F	162_H	0.536	1.00
175_A	178_A	0.534	1.00
114_V	117_S	0.531	1.00
63_G	91_D	0.526	1.00
63_G	129_S	0.526	1.00
151_V	238_L	0.525	1.00
289_S	292_C	0.525	1.00
182_I	186_T	0.525	1.00
177_G	181_Y	0.523	1.00
194_P	197_Q	0.522	1.00
269_K	282_Y	0.522	1.00
164_D	168_Y	0.521	1.00
163_P	166_Y	0.520	1.00
65_F	274_L	0.517	1.00
238_L	253_F	0.515	1.00
88_I	111_M	0.515	1.00
221_P	224_F	0.513	1.00
256_A	260_V	0.509	1.00
188_D	191_D	0.509	1.00
226_D	255_R	0.508	1.00
189_S	193_H	0.506	1.00
190_Y	193_H	0.506	1.00
115_F	145_R	0.505	1.00
223_V	226_D	0.503	1.00
240_F	247_Y	0.500	1.00
210_Q	217_E	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
1ehyA	1	0.875	100	0.247	Contact Map
3oosA	1	0.8716	100	0.263	Contact Map
3om8A	4	0.8784	100	0.266	Contact Map
4inzA	1	0.8649	100	0.268	Contact Map
1iupA	2	0.8818	100	0.269	Contact Map
2pujA	4	0.8885	100	0.271	Contact Map
2wueA	4	0.8919	100	0.277	Contact Map
4ccyA	1	0.9595	100	0.278	Contact Map
4psuA	1	0.9189	100	0.284	Contact Map
2xuaA	2	0.8581	100	0.286	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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