YHFI - BACSU - GREMLIN Contacts

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YHFI - Probable metallo-hydrolase YhfI

UniProt:	O07607	Sequences: MKVTVIGCYGGFPAANEATSGYLFQSGDYSLLVDCGSAVLSKLFGYVPAEKLDAVVLSHYHHDHIADIGPLQFAKQVGSFLGKGEHTLPIYGHDADIEQFQKLTYKTHTKGIAYQPDQPLTAGPFTITFLKTIHPVTCYAMRITDGSHTVVYTADSSYQDSFIPFSKDADLLISECNFYADQDGTSAGHMNSLEAGRIAKEAGAGELLLTHLPHFGVHDNLRKEAKTVFNGEVNIAKSGFVWEG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	244 (226)
Sequences:	9477 (7005)
Seq/√Len:	466.0

ECOLI - RBN PHNP
BACSU - YHFI RNZ YYCJ
HALSA - Q9HPR7 RNZ Q9HNK7
SULSO - RNZ Q981E1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
151_V	169_A	4.693	1.00
142_R	149_T	3.591	1.00
170_D	205_G	3.265	1.00
5_V	8_C	3.098	1.00
163_I	201_E	2.876	1.00
2_K	25_Q	2.858	1.00
206_E	234_N	2.811	1.00
89_P	112_I	2.712	1.00
25_Q	30_S	2.692	1.00
128_T	144_T	2.455	1.00
126_T	144_T	2.420	1.00
121_T	126_T	2.326	1.00
171_L	208_L	2.302	1.00
199_A	207_L	2.237	1.00
132_T	140_A	2.206	1.00
173_I	210_T	2.184	1.00
144_T	149_T	2.169	1.00
180_A	193_L	2.166	1.00
33_V	143_I	2.118	1.00
29_Y	53_D	2.078	1.00
222_R	226_K	2.044	1.00
23_L	30_S	2.015	1.00
89_P	110_K	1.963	1.00
174_S	190_M	1.949	1.00
130_L	165_F	1.924	1.00
97_I	101_Q	1.913	1.00
151_V	166_S	1.912	1.00
54_A	89_P	1.904	1.00
132_T	138_C	1.876	1.00
42_K	45_G	1.845	1.00
164_P	167_K	1.836	1.00
56_V	127_I	1.821	1.00
197_R	201_E	1.780	1.00
168_D	203_G	1.651	1.00
38_A	42_K	1.634	1.00
119_P	128_T	1.630	1.00
38_A	41_S	1.626	1.00
31_L	54_A	1.602	1.00
149_T	169_A	1.599	1.00
119_P	126_T	1.568	1.00
194_E	197_R	1.541	1.00
56_V	141_M	1.533	1.00
142_R	151_V	1.526	1.00
153_T	174_S	1.506	1.00
115_Q	118_Q	1.506	1.00
150_V	173_I	1.502	1.00
4_T	25_Q	1.492	1.00
5_V	208_L	1.472	1.00
92_G	97_I	1.438	1.00
149_T	170_D	1.395	1.00
160_D	163_I	1.393	1.00
132_T	153_T	1.392	1.00
48_P	51_K	1.386	1.00
54_A	91_Y	1.385	1.00
138_C	154_A	1.372	1.00
94_D	113_A	1.344	1.00
35_C	57_L	1.339	1.00
166_S	169_A	1.336	1.00
129_F	141_M	1.333	1.00
39_V	43_L	1.318	1.00
57_L	68_I	1.316	1.00
29_Y	123_G	1.305	1.00
31_L	125_F	1.300	1.00
21_G	39_V	1.296	1.00
8_C	17_E	1.293	1.00
64_H	211_H	1.289	1.00
142_R	169_A	1.288	1.00
26_S	124_P	1.283	1.00
199_A	204_A	1.278	1.00
93_H	139_Y	1.276	1.00
30_S	51_K	1.269	1.00
133_I	157_S	1.264	1.00
131_K	137_T	1.245	1.00
37_S	40_L	1.213	1.00
193_L	197_R	1.210	1.00
196_G	228_V	1.209	1.00
157_S	194_E	1.198	1.00
55_V	68_I	1.196	1.00
223_K	226_K	1.195	1.00
219_D	222_R	1.195	1.00
99_Q	103_L	1.192	1.00
208_L	234_N	1.191	1.00
97_I	113_A	1.182	1.00
145_D	148_H	1.178	1.00
20_S	152_Y	1.167	1.00
167_K	203_G	1.162	1.00
33_V	56_V	1.151	1.00
5_V	22_Y	1.143	1.00
176_C	209_L	1.143	1.00
62_H	66_A	1.130	1.00
160_D	201_E	1.126	1.00
22_Y	210_T	1.121	1.00
92_G	96_D	1.119	1.00
220_N	223_K	1.091	1.00
192_S	196_G	1.089	1.00
114_Y	120_L	1.088	1.00
166_S	202_A	1.085	1.00
3_V	22_Y	1.079	1.00
87_T	110_K	1.077	1.00
174_S	195_A	1.077	1.00
30_S	53_D	1.069	1.00
197_R	200_K	1.067	1.00
153_T	156_S	1.063	1.00
23_L	32_L	1.061	1.00
163_I	198_I	1.060	1.00
37_S	42_K	1.055	1.00
26_S	29_Y	1.052	1.00
119_P	122_A	1.049	1.00
127_I	143_I	1.046	1.00
56_V	120_L	1.043	1.00
121_T	124_P	1.042	1.00
5_V	173_I	1.028	1.00
135_P	188_G	1.025	1.00
93_H	96_D	1.020	1.00
204_A	207_L	1.012	1.00
171_L	206_E	1.008	1.00
159_Q	162_F	1.005	1.00
91_Y	112_I	1.004	1.00
161_S	164_P	1.003	1.00
53_D	86_H	0.985	1.00
163_I	167_K	0.981	1.00
58_S	141_M	0.972	1.00
156_S	162_F	0.970	1.00
130_L	162_F	0.967	1.00
191_N	194_E	0.958	1.00
3_V	24_F	0.954	1.00
223_K	227_T	0.953	1.00
114_Y	141_M	0.953	1.00
6_I	21_G	0.950	1.00
200_K	228_V	0.950	1.00
176_C	195_A	0.950	1.00
94_D	98_E	0.945	1.00
35_C	39_V	0.936	1.00
26_S	125_F	0.934	1.00
98_E	101_Q	0.930	1.00
116_P	131_K	0.924	1.00
29_Y	125_F	0.922	1.00
23_L	47_V	0.918	1.00
29_Y	124_P	0.917	1.00
18_A	41_S	0.916	1.00
225_A	229_F	0.915	1.00
200_K	230_N	0.906	1.00
69_G	73_F	0.904	1.00
22_Y	33_V	0.896	1.00
157_S	190_M	0.896	1.00
33_V	58_S	0.894	1.00
196_G	200_K	0.893	1.00
197_R	228_V	0.891	1.00
220_N	224_E	0.884	1.00
176_C	192_S	0.883	1.00
162_F	165_F	0.881	1.00
160_D	164_P	0.880	1.00
24_F	33_V	0.878	1.00
41_S	45_G	0.878	1.00
148_H	170_D	0.876	1.00
140_A	153_T	0.873	1.00
33_V	152_Y	0.871	1.00
26_S	145_D	0.868	1.00
24_F	143_I	0.866	1.00
128_T	165_F	0.865	1.00
193_L	227_T	0.852	1.00
87_T	108_H	0.852	1.00
3_V	150_V	0.849	1.00
3_V	171_L	0.848	1.00
3_V	173_I	0.845	1.00
174_S	198_I	0.839	1.00
212_L	235_I	0.836	1.00
22_Y	173_I	0.836	1.00
29_Y	54_A	0.833	1.00
32_L	39_V	0.833	1.00
40_L	44_F	0.828	1.00
60_Y	96_D	0.825	1.00
94_D	115_Q	0.823	1.00
179_Y	182_Q	0.816	1.00
55_V	71_L	0.809	1.00
33_V	141_M	0.808	1.00
130_L	140_A	0.801	1.00
49_A	71_L	0.800	1.00
9_Y	17_E	0.799	1.00
95_A	113_A	0.794	1.00
32_L	35_C	0.793	1.00
69_G	103_L	0.793	1.00
193_L	228_V	0.791	1.00
169_A	204_A	0.790	1.00
29_Y	122_A	0.787	1.00
144_T	147_S	0.785	1.00
132_T	154_A	0.783	1.00
42_K	46_Y	0.781	1.00
195_A	199_A	0.778	1.00
31_L	127_I	0.776	1.00
60_Y	95_A	0.774	1.00
43_L	46_Y	0.769	1.00
179_Y	192_S	0.769	1.00
151_V	172_L	0.764	1.00
56_V	91_Y	0.759	1.00
128_T	142_R	0.758	1.00
31_L	122_A	0.752	1.00
132_T	156_S	0.750	1.00
157_S	188_G	0.744	1.00
105_Y	108_H	0.741	1.00
178_F	187_A	0.738	1.00
196_G	199_A	0.737	1.00
167_K	201_E	0.737	1.00
193_L	224_E	0.736	1.00
31_L	56_V	0.727	1.00
169_A	172_L	0.725	1.00
172_L	199_A	0.722	1.00
24_F	150_V	0.716	1.00
175_E	190_M	0.714	1.00
95_A	137_T	0.711	1.00
158_Y	194_E	0.709	1.00
119_P	129_F	0.707	1.00
18_A	42_K	0.707	1.00
222_R	233_V	0.707	1.00
121_T	146_G	0.706	1.00
22_Y	152_Y	0.703	1.00
21_G	32_L	0.701	1.00
60_Y	99_Q	0.695	1.00
118_Q	129_F	0.694	1.00
191_N	195_A	0.692	1.00
55_V	88_L	0.690	1.00
142_R	165_F	0.685	1.00
140_A	151_V	0.685	1.00
127_I	141_M	0.683	1.00
190_M	198_I	0.683	1.00
18_A	45_G	0.682	1.00
222_R	235_I	0.680	1.00
60_Y	65_I	0.677	1.00
163_I	202_A	0.674	1.00
225_A	235_I	0.673	1.00
153_T	162_F	0.668	1.00
129_F	139_Y	0.665	1.00
35_C	55_V	0.662	1.00
105_Y	111_G	0.659	1.00
152_Y	173_I	0.659	1.00
130_L	142_R	0.658	1.00
13_P	37_S	0.656	1.00
114_Y	139_Y	0.654	1.00
97_I	111_G	0.652	1.00
229_F	233_V	0.651	1.00
153_T	172_L	0.650	1.00
209_L	233_V	0.645	1.00
96_D	103_L	0.644	1.00
32_L	52_L	0.642	1.00
118_Q	128_T	0.642	1.00
161_S	165_F	0.641	1.00
133_I	159_Q	0.640	1.00
58_S	152_Y	0.638	1.00
57_L	100_F	0.637	1.00
68_I	90_I	0.635	1.00
159_Q	163_I	0.635	1.00
226_K	234_N	0.632	0.99
174_S	207_L	0.631	0.99
150_V	171_L	0.629	0.99
22_Y	58_S	0.628	0.99
177_N	213_P	0.627	0.99
212_L	216_G	0.626	0.99
222_R	225_A	0.626	0.99
175_E	189_H	0.625	0.99
124_P	146_G	0.617	0.99
47_V	51_K	0.617	0.99
98_E	102_K	0.615	0.99
152_Y	210_T	0.615	0.99
209_L	212_L	0.612	0.99
125_F	143_I	0.609	0.99
125_F	145_D	0.608	0.99
226_K	229_F	0.604	0.99
6_I	23_L	0.598	0.99
216_G	221_L	0.591	0.99
195_A	204_A	0.590	0.99
104_T	107_T	0.590	0.99
72_Q	75_K	0.590	0.99
19_T	37_S	0.588	0.99
72_Q	88_L	0.587	0.99
192_S	216_G	0.586	0.99
60_Y	93_H	0.584	0.99
183_D	186_S	0.584	0.99
120_L	129_F	0.582	0.99
31_L	143_I	0.580	0.99
19_T	22_Y	0.580	0.99
178_F	184_G	0.580	0.99
41_S	44_F	0.579	0.99
54_A	122_A	0.578	0.99
38_A	43_L	0.575	0.99
149_T	205_G	0.575	0.99
168_D	205_G	0.573	0.99
114_Y	129_F	0.572	0.99
37_S	70_P	0.572	0.99
182_Q	216_G	0.572	0.99
116_P	139_Y	0.571	0.99
57_L	96_D	0.570	0.99
40_L	70_P	0.568	0.99
154_A	211_H	0.567	0.99
130_L	166_S	0.567	0.99
25_Q	47_V	0.565	0.99
75_K	86_H	0.565	0.99
219_D	223_K	0.563	0.99
133_I	188_G	0.562	0.99
196_G	225_A	0.554	0.99
59_H	64_H	0.553	0.99
59_H	63_D	0.552	0.99
172_L	204_A	0.549	0.99
37_S	43_L	0.548	0.99
20_S	210_T	0.545	0.99
10_G	177_N	0.545	0.99
40_L	74_A	0.544	0.98
224_E	228_V	0.543	0.98
61_H	134_H	0.542	0.98
224_E	227_T	0.542	0.98
195_A	207_L	0.541	0.98
179_Y	228_V	0.539	0.98
199_A	209_L	0.536	0.98
30_S	47_V	0.534	0.98
226_K	230_N	0.534	0.98
153_T	175_E	0.533	0.98
179_Y	221_L	0.532	0.98
9_Y	16_N	0.530	0.98
198_I	202_A	0.530	0.98
37_S	41_S	0.528	0.98
110_K	113_A	0.527	0.98
118_Q	122_A	0.527	0.98
9_Y	14_A	0.527	0.98
40_L	43_L	0.526	0.98
61_H	64_H	0.525	0.98
109_T	112_I	0.524	0.98
156_S	190_M	0.516	0.98
101_Q	111_G	0.515	0.98
43_L	49_A	0.513	0.98
209_L	225_A	0.512	0.98
95_A	98_E	0.511	0.98
37_S	67_D	0.511	0.98
158_Y	197_R	0.510	0.98
100_F	103_L	0.508	0.98
106_K	109_T	0.508	0.98
225_A	233_V	0.507	0.98
176_C	191_N	0.505	0.98
153_T	198_I	0.505	0.98
28_D	124_P	0.502	0.97
17_E	21_G	0.500	0.97

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
3zwfA	2	0.9262	100	0.232	Contact Map
2cbnA	2	0.9795	100	0.255	Contact Map
1y44A	2	0.9795	100	0.264	Contact Map
1zkpA	2	1	100	0.289	Contact Map
3jxpA	2	0.9467	100	0.346	Contact Map
3g1pA	2	0.918	100	0.355	Contact Map
4ojvA	2	0.9754	100	0.376	Contact Map
2e7yA	2	0.9385	100	0.378	Contact Map
3md7A	2	0.9221	100	0.382	Contact Map
4qn9A	2	0.9057	100	0.48	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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