Q97VU2 - SULSO - GREMLIN Contacts

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Q97VU2 - Carboxylesterase (Est)

UniProt:	Q97VU2	Sequences: METEIPIRIYYPDNKRDHPIILHFHGGAWILGSIETEDSVSRILANSCNCIVISVNYRLAPEHKFPAAVTDCFDSIKWTYENAESIGGHPNRIAVFGISAGGNLAAATSILSRDQGIKLRAQALVVPFVYLDLASTSMTEYRKGYFLDINVPIDYGIMMYIRDEKDLLNPMFVPLIAEDLSNLPQAIIVTAEYDPLRDQGEAYAKRLMEAGVLTLSFRVNGMVHGFLGSPNISRLVSVMVGSALKDILMRG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	251 (231)
Sequences:	15818 (12282)
Seq/√Len:	808.1

ECOLI - AES
BACSU - YTMA
SULSO - Q97VU2 Q97VT8 Q97VW1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
58_R	71_D	4.873	1.00
24_F	72_C	3.713	1.00
94_A	121_A	3.167	1.00
21_I	96_F	3.082	1.00
29_W	103_N	2.750	1.00
204_A	214_T	2.694	1.00
82_N	85_S	2.599	1.00
207_L	212_V	2.561	1.00
201_E	218_R	2.550	1.00
20_I	88_G	2.546	1.00
109_S	122_Q	2.477	1.00
63_H	67_A	2.461	1.00
34_I	56_N	2.349	1.00
22_L	75_S	2.329	1.00
204_A	216_S	2.279	1.00
76_I	119_L	2.240	1.00
53_I	79_T	2.213	1.00
78_W	82_N	2.196	1.00
186_A	207_L	2.013	1.00
55_V	75_S	2.011	1.00
204_A	208_M	1.978	1.00
188_I	204_A	1.946	1.00
37_E	98_I	1.929	1.00
72_C	108_T	1.928	1.00
73_F	111_L	1.919	1.00
20_I	53_I	1.892	1.00
201_E	216_S	1.887	1.00
124_L	127_P	1.885	1.00
122_Q	186_A	1.880	1.00
190_T	200_G	1.862	1.00
23_H	96_F	1.861	1.00
89_H	92_R	1.848	1.00
106_A	203_Y	1.843	1.00
111_L	115_Q	1.774	1.00
57_Y	100_A	1.759	1.00
205_K	209_E	1.741	1.00
38_D	42_R	1.725	1.00
9_I	53_I	1.715	1.00
95_V	105_A	1.688	1.00
208_M	214_T	1.677	1.00
192_E	220_N	1.653	1.00
11_Y	51_I	1.642	1.00
51_I	88_G	1.639	1.00
22_L	76_I	1.636	1.00
187_I	217_F	1.613	1.00
18_H	51_I	1.582	1.00
20_I	79_T	1.581	1.00
73_F	112_S	1.547	1.00
43_I	47_S	1.546	1.00
24_F	55_V	1.500	1.00
69_V	107_A	1.489	1.00
70_T	111_L	1.483	1.00
22_L	79_T	1.474	1.00
41_S	52_V	1.460	1.00
111_L	171_M	1.453	1.00
21_I	50_C	1.446	1.00
96_F	123_A	1.415	1.00
137_S	198_D	1.410	1.00
206_R	210_A	1.393	1.00
47_S	241_G	1.392	1.00
45_A	52_V	1.387	1.00
206_R	209_E	1.378	1.00
122_Q	203_Y	1.377	1.00
155_Y	159_M	1.376	1.00
106_A	124_L	1.375	1.00
190_T	218_R	1.366	1.00
76_I	108_T	1.363	1.00
72_C	104_L	1.344	1.00
190_T	216_S	1.320	1.00
73_F	77_K	1.311	1.00
126_V	225_G	1.300	1.00
29_W	128_F	1.291	1.00
188_I	200_G	1.288	1.00
19_P	92_R	1.275	1.00
25_H	59_L	1.273	1.00
20_I	51_I	1.269	1.00
121_A	187_I	1.267	1.00
113_R	182_N	1.251	1.00
18_H	49_N	1.225	1.00
41_S	54_S	1.196	1.00
180_L	183_L	1.194	1.00
202_A	205_K	1.194	1.00
23_H	37_E	1.189	1.00
67_A	71_D	1.187	1.00
197_R	201_E	1.186	1.00
145_Y	148_D	1.179	1.00
192_E	218_R	1.162	1.00
41_S	45_A	1.161	1.00
83_A	88_G	1.152	1.00
95_V	108_T	1.150	1.00
173_V	176_I	1.134	1.00
76_I	80_Y	1.131	1.00
65_F	160_Y	1.130	1.00
77_K	81_E	1.127	1.00
58_R	67_A	1.122	1.00
19_P	50_C	1.114	1.00
198_D	201_E	1.106	1.00
58_R	63_H	1.105	1.00
207_L	214_T	1.103	1.00
77_K	117_I	1.102	1.00
219_V	226_F	1.102	1.00
24_F	105_A	1.094	1.00
103_N	107_A	1.084	1.00
140_E	197_R	1.076	1.00
9_I	51_I	1.075	1.00
114_D	171_M	1.074	1.00
205_K	208_M	1.066	1.00
126_V	227_L	1.065	1.00
185_Q	213_L	1.060	1.00
27_G	32_G	1.046	1.00
73_F	115_Q	1.028	1.00
197_R	218_R	1.026	1.00
144_G	148_D	1.022	1.00
174_P	177_A	1.018	1.00
235_L	238_V	1.014	1.00
189_V	217_F	1.008	1.00
83_A	86_I	1.007	1.00
92_R	120_R	0.995	1.00
17_D	89_H	0.995	1.00
60_A	63_H	0.992	1.00
29_W	100_A	0.982	1.00
23_H	41_S	0.969	1.00
106_A	129_V	0.968	1.00
189_V	239_M	0.965	1.00
219_V	222_M	0.957	1.00
110_I	177_A	0.955	1.00
12_P	18_H	0.943	1.00
105_A	124_L	0.942	1.00
21_I	94_A	0.942	1.00
129_V	203_Y	0.931	1.00
222_M	235_L	0.926	1.00
191_A	226_F	0.921	1.00
73_F	108_T	0.917	1.00
136_T	140_E	0.913	1.00
77_K	115_Q	0.912	1.00
132_D	176_I	0.910	1.00
15_K	18_H	0.909	1.00
149_I	154_D	0.906	1.00
226_F	239_M	0.903	1.00
65_F	172_F	0.891	1.00
68_A	104_L	0.885	1.00
152_P	156_G	0.882	1.00
80_Y	93_I	0.880	1.00
74_D	77_K	0.876	1.00
188_I	203_Y	0.870	1.00
111_L	114_D	0.868	1.00
233_S	236_V	0.865	1.00
190_T	197_R	0.864	1.00
106_A	186_A	0.863	1.00
166_D	169_N	0.863	1.00
222_M	226_F	0.852	1.00
98_I	126_V	0.852	1.00
131_L	173_V	0.850	1.00
60_A	68_A	0.850	1.00
24_F	108_T	0.847	1.00
76_I	112_S	0.843	1.00
37_E	40_V	0.839	1.00
192_E	221_G	0.835	1.00
202_A	206_R	0.834	1.00
83_A	90_P	0.833	1.00
64_K	67_A	0.830	1.00
219_V	239_M	0.826	1.00
23_H	98_I	0.826	1.00
109_S	119_L	0.824	1.00
68_A	160_Y	0.822	1.00
69_V	111_L	0.819	1.00
110_I	171_M	0.818	1.00
124_L	129_V	0.815	1.00
43_I	46_N	0.813	1.00
124_L	188_I	0.811	1.00
103_N	160_Y	0.807	1.00
20_I	93_I	0.804	1.00
11_Y	18_H	0.804	1.00
78_W	86_I	0.797	1.00
64_K	68_A	0.796	1.00
189_V	219_V	0.790	1.00
23_H	54_S	0.786	1.00
82_N	86_I	0.781	1.00
126_V	194_D	0.778	1.00
106_A	122_Q	0.775	1.00
137_S	141_Y	0.768	1.00
110_I	183_L	0.767	1.00
33_S	36_T	0.763	1.00
161_I	172_F	0.762	1.00
238_V	241_G	0.761	1.00
19_P	89_H	0.760	1.00
65_F	68_A	0.759	1.00
189_V	227_L	0.758	1.00
68_A	71_D	0.754	1.00
60_A	66_P	0.751	1.00
25_H	32_G	0.750	1.00
66_P	70_T	0.748	1.00
65_F	169_N	0.747	1.00
168_L	176_I	0.745	1.00
139_T	142_R	0.744	1.00
173_V	177_A	0.744	1.00
24_F	95_V	0.743	1.00
17_D	84_E	0.740	1.00
137_S	140_E	0.739	1.00
203_Y	207_L	0.738	1.00
231_N	237_S	0.737	1.00
30_I	60_A	0.736	1.00
125_V	227_L	0.730	1.00
128_F	131_L	0.721	1.00
75_S	78_W	0.719	1.00
225_G	228_G	0.717	1.00
186_A	203_Y	0.709	1.00
22_L	108_T	0.706	1.00
105_A	122_Q	0.705	1.00
100_A	104_L	0.703	1.00
179_D	210_A	0.700	1.00
10_Y	38_D	0.698	1.00
99_S	224_H	0.696	1.00
42_R	46_N	0.690	1.00
131_L	157_I	0.690	1.00
183_L	186_A	0.689	1.00
96_F	125_V	0.688	1.00
90_P	93_I	0.686	1.00
193_Y	221_G	0.682	1.00
168_L	173_V	0.682	1.00
53_I	78_W	0.682	1.00
130_Y	133_L	0.676	1.00
154_D	158_M	0.673	1.00
40_V	44_L	0.672	1.00
219_V	227_L	0.671	1.00
67_A	70_T	0.671	1.00
31_L	156_G	0.671	1.00
176_I	179_D	0.667	1.00
190_T	201_E	0.664	1.00
236_V	240_V	0.661	1.00
130_Y	173_V	0.660	1.00
201_E	205_K	0.660	1.00
55_V	72_C	0.660	1.00
122_Q	184_P	0.659	1.00
30_I	159_M	0.658	1.00
64_K	162_R	0.657	1.00
98_I	227_L	0.657	1.00
80_Y	90_P	0.657	1.00
138_M	199_Q	0.656	1.00
84_E	90_P	0.656	1.00
18_H	87_G	0.655	1.00
69_V	108_T	0.654	1.00
153_I	156_G	0.652	1.00
130_Y	176_I	0.652	1.00
128_F	157_I	0.652	1.00
135_S	202_A	0.650	1.00
23_H	52_V	0.647	1.00
28_A	156_G	0.645	1.00
14_N	18_H	0.645	1.00
237_S	241_G	0.644	1.00
83_A	87_G	0.643	1.00
102_G	129_V	0.642	1.00
109_S	186_A	0.639	1.00
107_A	171_M	0.639	1.00
33_S	59_L	0.634	1.00
22_L	55_V	0.632	1.00
110_I	180_L	0.632	1.00
162_R	166_D	0.631	1.00
20_I	83_A	0.630	1.00
110_I	203_Y	0.629	1.00
17_D	87_G	0.629	1.00
56_N	59_L	0.627	1.00
34_I	54_S	0.625	1.00
187_I	215_L	0.624	1.00
32_G	36_T	0.619	1.00
65_F	171_M	0.619	1.00
170_P	176_I	0.618	1.00
145_Y	149_I	0.618	1.00
63_H	68_A	0.614	1.00
133_L	138_M	0.612	1.00
191_A	222_M	0.610	1.00
50_C	96_F	0.609	1.00
133_L	154_D	0.608	1.00
33_S	56_N	0.608	1.00
18_H	92_R	0.606	1.00
139_T	149_I	0.605	1.00
136_T	139_T	0.604	1.00
110_I	113_R	0.603	1.00
230_P	233_S	0.602	1.00
161_I	167_L	0.602	1.00
40_V	227_L	0.600	1.00
130_Y	199_Q	0.599	1.00
31_L	36_T	0.598	1.00
12_P	51_I	0.594	1.00
174_P	178_E	0.594	1.00
44_L	48_C	0.593	1.00
128_F	153_I	0.593	1.00
24_F	76_I	0.591	1.00
34_I	41_S	0.589	1.00
95_V	122_Q	0.585	1.00
195_P	223_V	0.584	1.00
148_D	152_P	0.584	1.00
125_V	189_V	0.578	1.00
112_S	117_I	0.576	1.00
29_W	104_L	0.576	1.00
227_L	239_M	0.575	1.00
174_P	179_D	0.575	1.00
208_M	216_S	0.574	1.00
180_L	206_R	0.572	1.00
98_I	125_V	0.571	1.00
158_M	162_R	0.570	1.00
47_S	240_V	0.568	1.00
10_Y	34_I	0.566	1.00
162_R	167_L	0.564	1.00
102_G	127_P	0.563	1.00
119_L	124_L	0.561	1.00
70_T	74_D	0.561	1.00
188_I	214_T	0.558	1.00
79_T	88_G	0.558	1.00
141_Y	144_G	0.558	1.00
145_Y	193_Y	0.558	1.00
168_L	171_M	0.556	1.00
105_A	109_S	0.555	1.00
103_N	128_F	0.553	1.00
153_I	157_I	0.552	1.00
32_G	59_L	0.551	1.00
98_I	225_G	0.551	1.00
53_I	75_S	0.550	1.00
142_R	149_I	0.549	1.00
189_V	226_F	0.548	1.00
194_D	197_R	0.544	1.00
170_P	177_A	0.542	1.00
198_D	202_A	0.539	1.00
122_Q	183_L	0.538	1.00
28_A	99_S	0.537	1.00
29_W	68_A	0.530	1.00
199_Q	202_A	0.529	1.00
145_Y	150_N	0.527	1.00
130_Y	202_A	0.527	1.00
170_P	178_E	0.523	1.00
200_G	204_A	0.519	1.00
157_I	162_R	0.518	1.00
21_I	52_V	0.516	1.00
127_P	200_G	0.516	1.00
135_S	138_M	0.515	1.00
109_S	183_L	0.513	1.00
165_K	169_N	0.510	1.00
69_V	104_L	0.510	1.00
80_Y	120_R	0.507	1.00
121_A	185_Q	0.507	1.00
28_A	100_A	0.504	1.00
10_Y	41_S	0.504	1.00
76_I	93_I	0.502	1.00
164_E	167_L	0.502	1.00
172_F	176_I	0.502	1.00
226_F	236_V	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
4wy8A	2	0.992	100	0.323	Contact Map
1lzlA	1	0.992	100	0.337	Contact Map
2hm7A	2	0.996	100	0.339	Contact Map
3wj1A	4	0.988	100	0.351	Contact Map
3zwqA	4	0.988	100	0.352	Contact Map
2c7bA	3	0.988	100	0.352	Contact Map
2o7rA	1	0.9681	100	0.36	Contact Map
4ob7A	2	0.996	100	0.38	Contact Map
4n5hX	3	0.9602	100	0.392	Contact Map
4wy5A	2	0.996	100	0.397	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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