AES - ECOLI - GREMLIN Contacts

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AES - Acetyl esterase

UniProt:	P23872	Sequences: MKPENKLPVLDLISAEMKTVVNTLQPDLPPWPATGTIAEQRQYYTLERRFWNAGAPEMATRAYMVPTKYGQVETRLFCPQPDSPATLFYLHGGGFILGNLDTHDRIMRLLASYSQCTVIGIDYTLSPEARFPQAIEEIVAACCYFHQQAEDYQINMSRIGFAGDSAGAMLALASALWLRDKQIDCGKVAGVLLWYGLYGLRDSVTRRLLGGVWDGLTQQDLQMYEEAYLSNDADRESPYYCLFNNDLTREVPPCFIAGAEFDPLLDDSRLLYQTLAAHQQPCEFKLYPGTLHAFLHYSRMMKTADEALRDGAQFFTAQL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11101
Length:	319 (260)
Sequences:	10135 (7803)
Seq/√Len:	483.9

ECOLI - AES
SULSO - Q97VT8 Q97VW1 Q97VU2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
124_T	137_E	4.151	1.00
90_L	138_I	3.566	1.00
87_L	162_A	3.403	1.00
160_G	190_G	3.115	1.00
86_T	154_I	2.962	1.00
129_A	133_Q	2.700	1.00
148_Q	151_D	2.671	1.00
285_K	310_D	2.525	1.00
142_C	188_V	2.525	1.00
269_R	286_L	2.513	1.00
95_F	169_M	2.331	1.00
119_I	145_F	2.159	1.00
287_Y	310_D	2.127	1.00
88_F	141_A	2.125	1.00
194_W	311_G	2.081	1.00
144_Y	148_Q	2.079	1.00
258_G	268_S	2.073	1.00
272_Y	284_F	2.032	1.00
272_Y	282_C	2.005	1.00
275_L	280_Q	1.992	1.00
76_L	119_I	1.986	1.00
117_T	154_I	1.971	1.00
190_G	314_F	1.964	1.00
155_N	158_R	1.939	1.00
100_L	122_D	1.933	1.00
177_W	181_K	1.931	1.00
192_L	311_G	1.912	1.00
104_D	108_R	1.874	1.00
256_I	272_Y	1.816	1.00
172_L	271_L	1.810	1.00
177_W	239_Y	1.797	1.00
183_I	186_G	1.795	1.00
191_V	254_C	1.781	1.00
103_H	164_D	1.777	1.00
269_R	284_F	1.769	1.00
113_Y	309_R	1.761	1.00
175_A	191_V	1.746	1.00
139_V	177_W	1.740	1.00
86_T	145_F	1.733	1.00
75_R	100_L	1.728	1.00
138_I	174_S	1.718	1.00
121_I	141_A	1.710	1.00
273_Q	277_A	1.708	1.00
88_F	142_C	1.708	1.00
107_M	118_V	1.693	1.00
89_Y	162_A	1.689	1.00
87_L	116_C	1.662	1.00
136_E	177_W	1.637	1.00
139_V	178_L	1.627	1.00
206_R	266_D	1.621	1.00
191_V	271_L	1.611	1.00
78_C	117_T	1.604	1.00
86_T	119_I	1.584	1.00
258_G	286_L	1.582	1.00
109_L	113_Y	1.581	1.00
160_G	315_F	1.567	1.00
135_I	173_A	1.546	1.00
123_Y	166_A	1.546	1.00
195_Y	293_A	1.512	1.00
172_L	193_L	1.504	1.00
162_A	192_L	1.488	1.00
111_A	118_V	1.486	1.00
258_G	284_F	1.452	1.00
190_G	255_F	1.445	1.00
62_A	65_V	1.443	1.00
75_R	104_D	1.431	1.00
68_K	140_A	1.426	1.00
90_L	121_I	1.405	1.00
254_C	275_L	1.398	1.00
113_Y	312_A	1.397	1.00
161_F	171_A	1.396	1.00
64_M	71_Q	1.389	1.00
193_L	196_G	1.384	1.00
276_A	282_C	1.376	1.00
255_F	285_K	1.376	1.00
142_C	174_S	1.371	1.00
301_M	304_A	1.369	1.00
256_I	268_S	1.360	1.00
223_M	227_A	1.359	1.00
95_F	197_L	1.357	1.00
63_Y	74_T	1.353	1.00
74_T	119_I	1.351	1.00
260_E	288_P	1.329	1.00
229_L	240_Y	1.322	1.00
91_H	125_L	1.303	1.00
179_R	250_E	1.280	1.00
88_F	145_F	1.272	1.00
180_D	239_Y	1.266	1.00
272_Y	276_A	1.262	1.00
273_Q	276_A	1.261	1.00
73_E	122_D	1.256	1.00
76_L	117_T	1.247	1.00
74_T	141_A	1.246	1.00
200_L	241_C	1.246	1.00
89_Y	103_H	1.238	1.00
255_F	314_F	1.238	1.00
218_Q	222_Q	1.233	1.00
63_Y	66_P	1.225	1.00
143_C	147_Q	1.192	1.00
270_L	273_Q	1.191	1.00
195_Y	295_L	1.186	1.00
146_H	159_I	1.183	1.00
309_R	313_Q	1.183	1.00
274_T	277_A	1.179	1.00
139_V	143_C	1.179	1.00
303_T	306_E	1.168	1.00
86_T	117_T	1.163	1.00
131_F	237_S	1.162	1.00
253_P	281_P	1.154	1.00
205_T	209_L	1.148	1.00
131_F	240_Y	1.147	1.00
294_F	307_A	1.145	1.00
283_E	310_D	1.144	1.00
274_T	278_H	1.135	1.00
107_M	120_G	1.131	1.00
176_L	245_N	1.131	1.00
209_L	265_L	1.124	1.00
67_T	70_G	1.121	1.00
290_T	303_T	1.112	1.00
171_A	193_L	1.110	1.00
138_I	170_L	1.099	1.00
265_L	269_R	1.099	1.00
175_A	188_V	1.079	1.00
134_A	170_L	1.065	1.00
287_Y	294_F	1.059	1.00
131_F	228_Y	1.054	1.00
199_G	244_N	1.048	1.00
77_F	104_D	1.046	1.00
258_G	269_R	1.045	1.00
126_S	129_A	1.042	1.00
62_A	75_R	1.033	1.00
143_C	183_I	1.025	1.00
133_Q	137_E	1.021	1.00
172_L	191_V	1.020	1.00
142_C	178_L	1.019	1.00
169_M	173_A	1.015	1.00
124_T	129_A	1.012	1.00
217_T	220_D	1.009	1.00
197_L	221_L	1.003	1.00
143_C	181_K	1.000	1.00
142_C	146_H	0.986	1.00
206_R	210_G	0.984	1.00
149_A	154_I	0.981	1.00
130_R	134_A	0.970	1.00
270_L	274_T	0.970	1.00
85_A	116_C	0.969	1.00
149_A	156_M	0.966	1.00
166_A	170_L	0.962	1.00
87_L	160_G	0.959	1.00
89_Y	107_M	0.957	1.00
139_V	181_K	0.948	1.00
135_I	177_W	0.944	1.00
198_Y	271_L	0.941	1.00
234_D	237_S	0.940	1.00
114_S	312_A	0.936	1.00
260_E	289_G	0.931	1.00
171_A	191_V	0.928	1.00
131_F	239_Y	0.924	1.00
176_L	239_Y	0.923	1.00
95_F	166_A	0.919	1.00
172_L	198_Y	0.917	1.00
266_D	269_R	0.916	1.00
230_S	234_D	0.914	1.00
216_L	221_L	0.913	1.00
257_A	307_A	0.911	1.00
193_L	256_I	0.903	1.00
260_E	286_L	0.900	1.00
248_T	274_T	0.895	1.00
265_L	286_L	0.895	1.00
149_A	152_Y	0.894	1.00
134_A	228_Y	0.893	1.00
89_Y	164_D	0.886	1.00
85_A	155_N	0.882	1.00
199_G	241_C	0.880	1.00
164_D	195_Y	0.874	1.00
84_P	155_N	0.872	1.00
255_F	310_D	0.872	1.00
90_L	174_S	0.872	1.00
107_M	111_A	0.870	1.00
79_P	117_T	0.869	1.00
84_P	117_T	0.867	1.00
287_Y	307_A	0.856	1.00
124_T	133_Q	0.855	1.00
161_F	174_S	0.855	1.00
230_S	235_R	0.851	1.00
130_R	230_S	0.851	1.00
200_L	225_E	0.850	1.00
169_M	228_Y	0.847	1.00
201_R	244_N	0.840	1.00
195_Y	262_D	0.839	1.00
57_E	80_Q	0.839	1.00
202_D	207_R	0.838	1.00
90_L	161_F	0.831	1.00
241_C	244_N	0.830	1.00
66_P	71_Q	0.822	1.00
168_A	196_G	0.817	1.00
231_N	234_D	0.812	1.00
225_E	240_Y	0.810	1.00
306_E	310_D	0.808	1.00
96_I	126_S	0.806	1.00
259_A	294_F	0.804	1.00
77_F	107_M	0.804	1.00
161_F	191_V	0.802	1.00
310_D	313_Q	0.799	1.00
275_L	282_C	0.798	1.00
130_R	133_Q	0.796	1.00
229_L	235_R	0.795	1.00
139_V	174_S	0.794	1.00
205_T	208_L	0.792	1.00
177_W	180_D	0.789	1.00
90_L	142_C	0.788	1.00
269_R	273_Q	0.784	1.00
75_R	120_G	0.783	1.00
86_T	159_I	0.782	1.00
173_A	239_Y	0.777	1.00
54_G	57_E	0.774	1.00
97_L	224_Y	0.774	1.00
290_T	294_F	0.774	1.00
197_L	225_E	0.771	1.00
63_Y	76_L	0.769	1.00
106_I	295_L	0.753	1.00
131_F	134_A	0.752	1.00
160_G	189_A	0.752	1.00
293_A	296_H	0.750	1.00
208_L	218_Q	0.746	1.00
148_Q	152_Y	0.744	1.00
258_G	265_L	0.743	1.00
245_N	248_T	0.743	1.00
156_M	159_I	0.741	1.00
196_G	268_S	0.739	1.00
168_A	193_L	0.738	1.00
74_T	144_Y	0.737	1.00
74_T	121_I	0.730	1.00
93_G	98_G	0.728	1.00
67_T	71_Q	0.726	1.00
77_F	100_L	0.726	1.00
65_V	72_V	0.725	1.00
175_A	254_C	0.722	1.00
88_F	174_S	0.721	1.00
61_R	78_C	0.720	1.00
236_E	244_N	0.718	1.00
165_S	292_H	0.718	1.00
72_V	141_A	0.717	1.00
210_G	213_W	0.715	1.00
247_L	278_H	0.711	1.00
100_L	120_G	0.708	1.00
287_Y	290_T	0.704	1.00
220_D	224_Y	0.703	1.00
99_N	125_L	0.697	1.00
103_H	106_I	0.693	1.00
90_L	171_A	0.692	1.00
145_F	154_I	0.692	1.00
204_V	207_R	0.691	1.00
214_D	217_T	0.684	1.00
144_Y	152_Y	0.682	1.00
199_G	267_D	0.682	1.00
121_I	138_I	0.682	1.00
135_I	174_S	0.680	1.00
219_Q	222_Q	0.678	1.00
126_S	134_A	0.678	1.00
192_L	315_F	0.678	1.00
85_A	158_R	0.674	1.00
139_V	183_I	0.673	1.00
257_A	294_F	0.672	1.00
232_D	235_R	0.670	1.00
247_L	274_T	0.669	1.00
100_L	107_M	0.668	1.00
255_F	283_E	0.667	1.00
194_W	295_L	0.664	1.00
122_D	125_L	0.663	1.00
203_S	208_L	0.662	1.00
86_T	149_A	0.661	1.00
212_V	217_T	0.656	1.00
75_R	101_D	0.653	1.00
65_V	74_T	0.652	1.00
305_D	309_R	0.649	1.00
98_G	125_L	0.647	1.00
134_A	137_E	0.643	1.00
299_R	305_D	0.642	1.00
206_R	209_L	0.641	1.00
99_N	102_T	0.638	1.00
59_A	78_C	0.635	1.00
257_A	287_Y	0.633	1.00
256_I	271_L	0.631	1.00
89_Y	120_G	0.627	1.00
96_I	227_A	0.622	1.00
67_T	72_V	0.619	0.99
73_E	100_L	0.619	0.99
146_H	186_G	0.618	0.99
271_L	275_L	0.616	0.99
77_F	120_G	0.616	0.99
276_A	284_F	0.615	0.99
162_A	194_W	0.615	0.99
116_C	162_A	0.612	0.99
178_L	183_I	0.608	0.99
172_L	254_C	0.607	0.99
257_A	285_K	0.602	0.99
55_A	59_A	0.602	0.99
176_L	251_V	0.600	0.99
176_L	179_R	0.599	0.99
190_G	253_P	0.599	0.99
208_L	211_G	0.598	0.99
55_A	58_M	0.598	0.99
72_V	121_I	0.595	0.99
150_E	156_M	0.593	0.99
254_C	271_L	0.592	0.99
126_S	132_P	0.591	0.99
298_S	304_A	0.591	0.99
164_D	295_L	0.591	0.99
95_F	170_L	0.586	0.99
89_Y	194_W	0.585	0.99
195_Y	259_A	0.585	0.99
230_S	233_A	0.583	0.99
183_I	187_K	0.581	0.99
140_A	143_C	0.580	0.99
94_G	224_Y	0.575	0.99
213_W	217_T	0.573	0.99
99_N	122_D	0.572	0.99
306_E	309_R	0.570	0.99
61_R	65_V	0.569	0.99
198_Y	243_F	0.568	0.99
259_A	290_T	0.566	0.99
214_D	261_F	0.566	0.99
191_V	251_V	0.564	0.99
79_P	115_Q	0.564	0.99
136_E	140_A	0.563	0.99
106_I	308_L	0.563	0.99
290_T	301_M	0.562	0.99
251_V	254_C	0.561	0.99
155_N	189_A	0.557	0.99
63_Y	151_D	0.555	0.99
135_I	170_L	0.555	0.99
64_M	73_E	0.554	0.99
57_E	112_S	0.552	0.99
178_L	188_V	0.552	0.99
302_K	306_E	0.551	0.99
251_V	271_L	0.550	0.99
161_F	175_A	0.549	0.99
211_G	218_Q	0.548	0.99
84_P	115_Q	0.548	0.99
110_L	118_V	0.545	0.99
211_G	214_D	0.544	0.99
241_C	245_N	0.544	0.99
70_G	140_A	0.543	0.99
176_L	248_T	0.541	0.99
164_D	194_W	0.540	0.99
304_A	308_L	0.539	0.99
193_L	198_Y	0.539	0.99
109_L	112_S	0.538	0.99
59_A	80_Q	0.537	0.99
203_S	207_R	0.537	0.99
175_A	251_V	0.536	0.99
83_S	155_N	0.535	0.99
220_D	223_M	0.532	0.98
302_K	305_D	0.532	0.98
267_D	270_L	0.530	0.98
90_L	170_L	0.529	0.98
132_P	136_E	0.528	0.98
65_V	68_K	0.527	0.98
299_R	304_A	0.527	0.98
158_R	189_A	0.527	0.98
133_Q	136_E	0.524	0.98
146_H	183_I	0.524	0.98
176_L	271_L	0.523	0.98
90_L	145_F	0.523	0.98
73_E	101_D	0.522	0.98
222_Q	226_E	0.521	0.98
213_W	216_L	0.520	0.98
204_V	210_G	0.520	0.98
66_P	69_Y	0.520	0.98
149_A	153_Q	0.518	0.98
282_C	286_L	0.514	0.98
103_H	296_H	0.514	0.98
65_V	70_G	0.511	0.98
198_Y	267_D	0.510	0.98
199_G	204_V	0.508	0.98
136_E	181_K	0.507	0.98
67_T	140_A	0.507	0.98
175_A	252_P	0.505	0.98
98_G	102_T	0.505	0.98
243_F	274_T	0.505	0.98
311_G	315_F	0.504	0.98
191_V	252_P	0.504	0.98
244_N	247_L	0.503	0.98
197_L	200_L	0.503	0.98
202_D	222_Q	0.501	0.98
142_C	159_I	0.501	0.98
221_L	225_E	0.501	0.98
264_L	267_D	0.501	0.98
295_L	308_L	0.500	0.98

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
2hm7A	2	0.9498	100	0.35	Contact Map
4wy8A	2	0.9592	100	0.352	Contact Map
1lzlA	1	0.953	100	0.355	Contact Map
3zwqA	4	0.9498	100	0.369	Contact Map
2c7bA	3	0.8934	100	0.377	Contact Map
3ga7A	1	0.9592	100	0.379	Contact Map
3wj1A	4	0.9373	100	0.387	Contact Map
4ob7A	2	0.9687	100	0.39	Contact Map
4wy5A	2	0.9655	100	0.407	Contact Map
4j7aA	2	0.9843	100	0.411	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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