EST - BACSU - GREMLIN Contacts

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EST - Carboxylesterase

UniProt:	O32232	Sequences: MKVVTPKPFTFKGGDKAVLLLHGFTGNTADVRMLGRYLNERGYTCHAPQYEGHGVPPEELVHTGPEDWWKNVMDGYEYLKSEGYESIAACGLSLGGVFSLKLGYTVPIKGIVPMCAPMHIKSEEVMYQGVLSYARNYKKFEGKSPEQIEEEMKEFEKTPMNTLKALQDLIADVRNNVDMIYSPTFVVQARHDHMINTESANIIYNEVETDDKQLKWYEESGHVITLDKERDLVHQDVYEFLEKLDW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	246 (219)
Sequences:	59713 (49235)
Seq/√Len:	3327.0

ECOLI - PLDB RUTD YBFF MHPC BIOH YCJY MENH YFHR YJFP DLHH FRSA YNBC
BACSU - EST PLBAC YISY YDJP YFHM YBFK YUGF YRAK YCGS NAP RSBQ YBDG YQJL YVAM MENH YBAC YCLE YQKD CAH YTMA YITV YTAP
HALSA - Q9HPT9 Q9HRJ0 Q9HHP4 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
88_A	110_G	4.550	1.00
51_E	71_N	3.786	1.00
34_L	234_H	3.183	1.00
73_M	102_L	2.950	1.00
215_K	236_D	2.945	1.00
217_Y	236_D	2.808	1.00
190_R	218_E	2.802	1.00
11_F	44_T	2.730	1.00
115_C	192_D	2.660	1.00
41_R	238_Y	2.546	1.00
88_A	109_K	2.481	1.00
86_S	109_K	2.435	1.00
228_K	232_L	2.423	1.00
114_M	233_V	2.339	1.00
204_Y	212_K	2.331	1.00
190_R	216_W	2.220	1.00
102_L	106_V	2.072	1.00
73_M	106_V	2.041	1.00
37_Y	234_H	1.982	1.00
89_A	99_S	1.973	1.00
73_M	77_E	1.907	1.00
197_T	216_W	1.897	1.00
101_K	105_T	1.879	1.00
76_Y	87_I	1.862	1.00
96_G	116_A	1.838	1.00
88_A	241_L	1.779	1.00
17_A	44_T	1.776	1.00
16_K	88_A	1.771	1.00
103_G	111_I	1.737	1.00
21_L	50_Y	1.714	1.00
184_T	207_V	1.682	1.00
17_A	46_H	1.682	1.00
220_S	228_K	1.680	1.00
21_L	72_V	1.661	1.00
185_F	215_K	1.624	1.00
202_I	206_E	1.602	1.00
72_V	102_L	1.591	1.00
50_Y	98_F	1.583	1.00
22_H	50_Y	1.579	1.00
22_H	53_H	1.570	1.00
16_K	109_K	1.567	1.00
236_D	239_E	1.565	1.00
69_W	101_K	1.565	1.00
88_A	112_V	1.533	1.00
43_Y	88_A	1.529	1.00
48_P	72_V	1.517	1.00
28_T	55_V	1.500	1.00
37_Y	238_Y	1.472	1.00
113_P	116_A	1.459	1.00
185_F	240_F	1.459	1.00
99_S	111_I	1.450	1.00
26_G	30_D	1.447	1.00
232_L	236_D	1.446	1.00
17_A	81_S	1.433	1.00
70_K	105_T	1.421	1.00
188_Q	200_A	1.412	1.00
28_T	49_Q	1.350	1.00
101_K	104_Y	1.334	1.00
66_E	105_T	1.333	1.00
35_G	47_A	1.331	1.00
176_N	179_M	1.325	1.00
92_L	225_T	1.325	1.00
100_L	113_P	1.318	1.00
25_T	53_H	1.294	1.00
102_L	108_I	1.285	1.00
46_H	75_G	1.284	1.00
20_L	90_C	1.245	1.00
235_Q	239_E	1.244	1.00
28_T	47_A	1.243	1.00
104_Y	176_N	1.242	1.00
209_T	212_K	1.239	1.00
112_V	237_V	1.232	1.00
75_G	79_L	1.230	1.00
90_C	114_M	1.228	1.00
37_Y	40_E	1.219	1.00
232_L	235_Q	1.197	1.00
64_G	67_D	1.189	1.00
217_Y	220_S	1.186	1.00
204_Y	214_L	1.163	1.00
201_N	205_N	1.159	1.00
18_V	43_Y	1.158	1.00
16_K	86_S	1.155	1.00
25_T	93_S	1.145	1.00
156_E	159_P	1.142	1.00
188_Q	216_W	1.140	1.00
16_K	43_Y	1.133	1.00
188_Q	214_L	1.116	1.00
197_T	201_N	1.115	1.00
21_L	99_S	1.112	1.00
20_L	45_C	1.106	1.00
12_K	15_D	1.103	1.00
112_V	185_F	1.097	1.00
187_V	217_Y	1.087	1.00
23_G	93_S	1.085	1.00
207_V	212_K	1.076	1.00
213_Q	236_D	1.071	1.00
73_M	105_T	1.050	1.00
81_S	87_I	1.050	1.00
110_G	183_P	1.042	1.00
30_D	225_T	1.033	1.00
127_Y	130_V	1.032	1.00
87_I	108_I	1.030	1.00
141_E	144_S	1.016	1.00
160_M	163_L	1.007	1.00
155_F	159_P	0.994	1.00
178_D	206_E	0.986	1.00
185_F	213_Q	0.986	1.00
201_N	214_L	0.982	1.00
20_L	31_V	0.978	1.00
19_L	76_Y	0.975	1.00
201_N	216_W	0.975	1.00
159_P	162_T	0.972	1.00
39_N	45_C	0.970	1.00
37_Y	231_D	0.966	1.00
233_V	237_V	0.960	1.00
90_C	237_V	0.959	1.00
166_L	170_I	0.956	1.00
21_L	89_A	0.956	1.00
91_G	99_S	0.953	1.00
69_W	98_F	0.952	1.00
114_M	225_T	0.946	1.00
50_Y	94_L	0.945	1.00
163_L	167_Q	0.942	1.00
46_H	79_L	0.941	1.00
48_P	75_G	0.941	1.00
202_I	205_N	0.940	1.00
162_T	167_Q	0.931	1.00
93_S	222_H	0.931	1.00
221_G	227_D	0.928	1.00
49_Q	54_G	0.927	1.00
188_Q	197_T	0.925	1.00
217_Y	232_L	0.925	1.00
160_M	164_K	0.924	1.00
161_N	164_K	0.922	1.00
92_L	223_V	0.920	1.00
81_S	86_S	0.917	1.00
166_L	169_L	0.916	1.00
32_R	47_A	0.913	1.00
215_K	232_L	0.892	1.00
161_N	165_A	0.891	1.00
220_S	227_D	0.891	1.00
76_Y	102_L	0.886	1.00
147_Q	151_E	0.878	1.00
77_E	106_V	0.874	1.00
101_K	176_N	0.873	1.00
21_L	48_P	0.857	1.00
128_Q	132_S	0.856	1.00
231_D	235_Q	0.854	1.00
19_L	87_I	0.854	1.00
201_N	204_Y	0.847	1.00
37_Y	41_R	0.840	1.00
163_L	166_L	0.838	1.00
190_R	219_E	0.835	1.00
164_K	168_D	0.833	1.00
162_T	166_L	0.833	1.00
43_Y	241_L	0.833	1.00
144_S	147_Q	0.829	1.00
146_E	149_E	0.829	1.00
68_W	94_L	0.823	1.00
24_F	94_L	0.822	1.00
145_P	149_E	0.820	1.00
33_M	36_R	0.820	1.00
215_K	239_E	0.816	1.00
156_E	160_M	0.814	1.00
17_A	87_I	0.814	1.00
186_V	212_K	0.811	1.00
76_Y	81_S	0.811	1.00
156_E	163_L	0.810	1.00
151_E	154_E	0.807	1.00
165_A	168_D	0.807	1.00
66_E	101_K	0.806	1.00
74_D	78_Y	0.799	1.00
114_M	224_I	0.794	1.00
69_W	105_T	0.791	1.00
142_G	145_P	0.788	1.00
104_Y	179_M	0.787	1.00
73_M	76_Y	0.786	1.00
28_T	48_P	0.784	1.00
35_G	45_C	0.784	1.00
92_L	115_C	0.781	1.00
18_V	90_C	0.780	1.00
155_F	158_T	0.778	1.00
220_S	224_I	0.778	1.00
187_V	236_D	0.777	1.00
128_Q	131_L	0.774	1.00
97_V	117_P	0.773	1.00
115_C	224_I	0.771	1.00
36_R	39_N	0.767	1.00
89_A	108_I	0.766	1.00
187_V	233_V	0.759	1.00
90_C	112_V	0.758	1.00
111_I	184_T	0.758	1.00
15_D	44_T	0.757	1.00
74_D	77_E	0.752	1.00
50_Y	68_W	0.751	1.00
144_S	151_E	0.748	1.00
190_R	197_T	0.746	1.00
11_F	15_D	0.742	1.00
70_K	73_M	0.740	1.00
49_Q	55_V	0.736	1.00
18_V	45_C	0.735	1.00
200_A	214_L	0.734	1.00
158_T	166_L	0.725	1.00
162_T	165_A	0.723	1.00
62_H	67_D	0.720	1.00
169_L	172_D	0.719	1.00
87_I	109_K	0.718	1.00
208_E	212_K	0.717	1.00
234_H	238_Y	0.715	1.00
110_G	241_L	0.714	1.00
147_Q	152_M	0.714	1.00
67_D	70_K	0.713	1.00
16_K	110_G	0.707	1.00
103_G	108_I	0.706	1.00
22_H	48_P	0.703	1.00
35_G	39_N	0.702	1.00
159_P	163_L	0.695	1.00
91_G	96_G	0.693	1.00
36_R	40_E	0.689	1.00
167_Q	170_I	0.688	1.00
230_R	234_H	0.683	1.00
148_I	152_M	0.683	1.00
129_G	133_Y	0.682	1.00
199_S	202_I	0.681	1.00
103_G	182_S	0.677	1.00
158_T	162_T	0.676	1.00
147_Q	150_E	0.675	1.00
126_M	129_G	0.675	1.00
19_L	89_A	0.671	1.00
141_E	145_P	0.668	1.00
150_E	153_K	0.666	1.00
149_E	152_M	0.662	1.00
115_C	189_A	0.659	1.00
165_A	169_L	0.659	1.00
43_Y	238_Y	0.659	1.00
112_V	241_L	0.658	1.00
50_Y	53_H	0.658	1.00
17_A	43_Y	0.657	1.00
158_T	163_L	0.655	1.00
115_C	188_Q	0.650	1.00
191_H	219_E	0.650	1.00
70_K	74_D	0.648	1.00
164_K	167_Q	0.646	1.00
235_Q	238_Y	0.644	1.00
127_Y	131_L	0.643	1.00
80_K	85_E	0.642	1.00
158_T	161_N	0.642	1.00
148_I	151_E	0.640	1.00
173_V	176_N	0.637	1.00
19_L	72_V	0.637	1.00
32_R	36_R	0.634	1.00
40_E	238_Y	0.631	1.00
143_K	147_Q	0.630	1.00
159_P	169_L	0.627	1.00
100_L	118_M	0.625	1.00
217_Y	228_K	0.625	1.00
110_G	240_F	0.623	1.00
144_S	152_M	0.619	1.00
146_E	150_E	0.618	1.00
29_A	32_R	0.615	1.00
89_A	102_L	0.614	1.00
14_G	44_T	0.611	1.00
23_G	92_L	0.609	1.00
18_V	241_L	0.609	1.00
162_T	170_I	0.609	1.00
46_H	81_S	0.604	1.00
13_G	44_T	0.603	1.00
157_K	161_N	0.595	1.00
92_L	114_M	0.595	1.00
159_P	170_I	0.594	1.00
75_G	78_Y	0.594	1.00
162_T	169_L	0.593	1.00
219_E	228_K	0.592	1.00
159_P	167_Q	0.592	1.00
129_G	132_S	0.591	1.00
130_V	133_Y	0.590	1.00
69_W	102_L	0.590	1.00
228_K	231_D	0.589	1.00
157_K	160_M	0.584	1.00
145_P	151_E	0.581	1.00
18_V	88_A	0.577	1.00
144_S	149_E	0.575	1.00
145_P	148_I	0.574	1.00
33_M	230_R	0.572	1.00
113_P	186_V	0.568	1.00
142_G	151_E	0.566	1.00
38_L	237_V	0.564	1.00
24_F	53_H	0.563	1.00
198_E	201_N	0.562	1.00
131_L	134_A	0.559	1.00
130_V	134_A	0.557	1.00
174_R	206_E	0.556	1.00
51_E	68_W	0.555	1.00
149_E	153_K	0.555	1.00
103_G	180_I	0.555	1.00
11_F	14_G	0.554	1.00
111_I	182_S	0.554	1.00
67_D	71_N	0.553	1.00
143_K	146_E	0.552	1.00
163_L	170_I	0.545	1.00
31_V	35_G	0.545	1.00
34_L	37_Y	0.544	1.00
159_P	164_K	0.539	1.00
142_G	147_Q	0.537	1.00
19_L	48_P	0.537	1.00
25_T	94_L	0.536	1.00
91_G	95_G	0.536	1.00
30_D	92_L	0.535	1.00
142_G	152_M	0.535	1.00
186_V	214_L	0.534	1.00
81_S	85_E	0.534	1.00
108_I	182_S	0.534	1.00
34_L	233_V	0.526	1.00
69_W	73_M	0.519	1.00
126_M	130_V	0.516	1.00
20_L	47_A	0.512	1.00
49_Q	56_P	0.511	1.00
143_K	151_E	0.511	1.00
15_D	43_Y	0.510	1.00
223_V	226_L	0.508	1.00
159_P	166_L	0.507	1.00
105_T	176_N	0.505	1.00
143_K	148_I	0.503	1.00
156_E	162_T	0.503	1.00
156_E	164_K	0.503	1.00
26_G	223_V	0.502	1.00
127_Y	134_A	0.500	1.00
149_E	154_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
3oosA	1	0.9472	100	0.247	Contact Map
3om8A	4	0.9472	100	0.25	Contact Map
4inzA	1	0.9512	100	0.251	Contact Map
2pujA	4	0.9675	100	0.252	Contact Map
2xuaA	2	0.9512	100	0.253	Contact Map
1ehyA	1	0.9268	100	0.255	Contact Map
1womA	1	0.9634	100	0.255	Contact Map
3bf7A	1	0.9512	100	0.257	Contact Map
4psuA	1	0.9512	100	0.258	Contact Map
1iupA	2	0.9634	100	0.263	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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