Y1038 - HALSA - GREMLIN Contacts

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Y1038 - UPF0173 metal-dependent hydrolase VNG_1038C

UniProt:	Q9HQR5	Sequences: MELTWFGHSTWRVTVGTTDLLVDPFFDNPHTDTAPSEVAVDHVLLTHGHADHIAHVGAFADTHTVGTPEVTGYVADETGVEDTTGMNLGGTVELGDAFVTMVRADHTNGLETGYEYSGGTPVGYVISDAAPTQTGDGDATTFYHAGDTSLQSEMKDVIGPYLDPDAAAVPVGDHFTMGPMQAAVAVDWLDVDVAFPMHYDTFPPIEVDTADFEREVNATGSQADVHVLDGDETVDLSDAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	240 (220)
Sequences:	5058 (3537)
Seq/√Len:	238.4

ECOLI - ULAG
BACSU - YTKL YDDR
HALSA - Y1038 Q9HR59 Q9HR33
SULSO - Y099 Q97W37

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
11_W	197_M	3.321	1.00
101_M	122_V	3.305	1.00
98_F	127_S	2.970	1.00
127_S	141_T	2.965	1.00
14_T	19_D	2.857	1.00
102_V	125_V	2.806	1.00
63_H	84_T	2.708	1.00
167_A	191_V	2.692	1.00
46_T	144_H	2.657	1.00
186_V	194_A	2.623	1.00
91_T	98_F	2.576	1.00
125_V	164_P	2.349	1.00
150_L	188_W	2.342	1.00
180_M	215_E	2.326	1.00
20_L	42_H	2.266	1.00
4_T	233_T	2.204	1.00
100_T	127_S	2.192	1.00
71_T	85_G	2.189	1.00
229_D	232_E	2.155	1.00
22_V	46_T	2.138	1.00
177_M	185_A	2.094	1.00
93_E	98_F	2.085	1.00
102_V	123_G	2.076	1.00
168_A	195_F	2.068	1.00
165_D	192_D	2.067	1.00
155_K	159_G	2.057	1.00
145_A	170_P	2.028	1.00
18_T	95_G	1.942	1.00
91_T	100_T	1.925	1.00
142_F	168_A	1.921	1.00
34_A	37_E	1.920	1.00
12_R	19_D	1.874	1.00
173_D	178_G	1.795	1.00
11_W	168_A	1.792	1.00
86_M	101_M	1.792	1.00
44_L	126_I	1.785	1.00
44_L	124_Y	1.767	1.00
210_A	214_R	1.670	1.00
193_V	226_H	1.667	1.00
107_T	175_F	1.665	1.00
155_K	188_W	1.656	1.00
186_V	191_V	1.636	1.00
145_A	169_V	1.622	1.00
3_L	166_A	1.617	1.00
42_H	63_H	1.608	1.00
184_V	187_D	1.601	1.00
71_T	75_A	1.594	1.00
184_V	188_W	1.588	1.00
211_D	215_E	1.561	1.00
22_V	144_H	1.484	1.00
15_V	128_D	1.479	1.00
27_D	54_A	1.456	1.00
56_V	60_A	1.448	1.00
166_A	195_F	1.447	1.00
43_V	64_T	1.403	1.00
93_E	96_D	1.391	1.00
144_H	197_M	1.366	1.00
42_H	94_L	1.339	1.00
42_H	65_V	1.336	1.00
168_A	197_M	1.335	1.00
158_I	190_D	1.335	1.00
6_F	32_D	1.332	1.00
141_T	164_P	1.330	1.00
22_V	126_I	1.322	1.00
68_P	87_N	1.287	1.00
84_T	92_V	1.284	1.00
171_V	182_A	1.281	1.00
89_G	103_R	1.275	1.00
215_E	218_A	1.266	1.00
56_V	59_F	1.265	1.00
55_H	59_F	1.264	1.00
55_H	58_A	1.260	1.00
154_M	185_A	1.234	1.00
128_D	138_D	1.233	1.00
178_G	181_Q	1.230	1.00
18_T	41_D	1.219	1.00
125_V	161_Y	1.215	1.00
87_N	107_T	1.214	1.00
226_H	234_V	1.214	1.00
3_L	11_W	1.180	1.00
13_V	142_F	1.171	1.00
63_H	82_D	1.165	1.00
6_F	10_T	1.164	1.00
99_V	124_Y	1.148	1.00
193_V	224_D	1.141	1.00
145_A	167_A	1.141	1.00
100_T	161_Y	1.126	1.00
211_D	214_R	1.123	1.00
4_T	14_T	1.113	1.00
18_T	97_A	1.112	1.00
101_M	124_Y	1.111	1.00
10_T	22_V	1.109	1.00
123_G	145_A	1.101	1.00
156_D	159_G	1.092	1.00
182_A	194_A	1.072	1.00
26_F	35_P	1.057	1.00
65_V	92_V	1.043	1.00
44_L	99_V	1.039	1.00
169_V	185_A	1.037	1.00
13_V	22_V	1.035	1.00
150_L	184_V	1.035	1.00
87_N	90_G	1.024	1.00
183_A	219_T	1.018	1.00
64_T	80_V	1.008	1.00
186_V	216_V	1.004	1.00
66_G	70_V	1.000	1.00
166_A	193_V	1.000	1.00
65_V	86_M	0.993	1.00
6_F	26_F	0.992	1.00
215_E	219_T	0.988	1.00
214_R	218_A	0.986	1.00
25_F	30_H	0.984	1.00
111_E	115_E	0.977	1.00
48_G	73_Y	0.977	1.00
187_D	219_T	0.975	1.00
21_L	40_V	0.972	1.00
102_V	143_Y	0.971	1.00
26_F	55_H	0.971	1.00
12_R	40_V	0.969	1.00
66_G	71_T	0.961	1.00
55_H	60_A	0.959	1.00
19_D	39_A	0.957	1.00
169_V	189_L	0.949	1.00
67_T	122_V	0.947	1.00
19_D	40_V	0.947	1.00
86_M	90_G	0.946	1.00
141_T	162_L	0.942	1.00
20_L	97_A	0.939	1.00
3_L	168_A	0.936	1.00
208_D	211_D	0.935	1.00
6_F	12_R	0.934	1.00
216_V	225_V	0.918	1.00
68_P	72_G	0.912	1.00
126_I	142_F	0.910	1.00
115_E	118_G	0.906	1.00
104_A	148_T	0.892	1.00
86_M	92_V	0.885	0.99
84_T	174_H	0.884	0.99
128_D	139_A	0.883	0.99
65_V	124_Y	0.881	0.99
207_V	212_F	0.880	0.99
105_D	151_Q	0.878	0.99
140_T	165_D	0.871	0.99
212_F	216_V	0.868	0.99
152_S	156_D	0.868	0.99
71_T	83_T	0.863	0.99
12_R	21_L	0.861	0.99
36_S	58_A	0.861	0.99
109_G	117_S	0.857	0.99
22_V	44_L	0.849	0.99
44_L	122_V	0.849	0.99
5_W	197_M	0.843	0.99
125_V	157_V	0.841	0.99
42_H	99_V	0.840	0.99
88_L	122_V	0.837	0.99
213_E	217_N	0.837	0.99
47_H	147_D	0.836	0.99
171_V	199_Y	0.835	0.99
167_A	189_L	0.834	0.99
128_D	142_F	0.832	0.99
89_G	161_Y	0.831	0.99
145_A	148_T	0.830	0.99
19_D	41_D	0.826	0.99
47_H	198_H	0.824	0.99
199_Y	213_E	0.814	0.99
57_G	60_A	0.814	0.99
228_L	234_V	0.812	0.99
111_E	114_Y	0.812	0.99
18_T	42_H	0.811	0.99
74_V	78_T	0.809	0.99
167_A	186_V	0.807	0.99
70_V	119_G	0.806	0.99
169_V	186_V	0.805	0.99
20_L	99_V	0.800	0.99
10_T	26_F	0.798	0.99
65_V	94_L	0.795	0.99
99_V	126_I	0.794	0.99
128_D	140_T	0.793	0.99
16_G	128_D	0.793	0.99
228_L	233_T	0.793	0.99
179_P	207_V	0.788	0.99
11_W	195_F	0.784	0.99
65_V	99_V	0.783	0.99
72_G	75_A	0.779	0.99
48_G	119_G	0.778	0.99
16_G	139_A	0.778	0.99
143_Y	185_A	0.772	0.99
152_S	155_K	0.766	0.98
194_A	225_V	0.763	0.98
169_V	177_M	0.755	0.98
15_V	20_L	0.751	0.98
210_A	213_E	0.751	0.98
61_D	82_D	0.750	0.98
179_P	211_D	0.746	0.98
193_V	196_P	0.745	0.98
195_F	226_H	0.743	0.98
56_V	80_V	0.740	0.98
56_V	64_T	0.739	0.98
209_T	212_F	0.737	0.98
141_T	165_D	0.736	0.98
161_Y	164_P	0.734	0.98
4_T	12_R	0.726	0.98
13_V	20_L	0.722	0.98
67_T	70_V	0.721	0.98
109_G	116_Y	0.710	0.98
123_G	143_Y	0.708	0.97
183_A	215_E	0.706	0.97
49_H	147_D	0.704	0.97
178_G	182_A	0.703	0.97
191_V	194_A	0.695	0.97
68_P	85_G	0.694	0.97
10_T	25_F	0.694	0.97
107_T	116_Y	0.694	0.97
88_L	149_S	0.694	0.97
143_Y	189_L	0.692	0.97
9_S	170_P	0.686	0.97
173_D	207_V	0.683	0.97
10_T	54_A	0.681	0.97
64_T	74_V	0.669	0.96
147_D	198_H	0.668	0.96
66_G	124_Y	0.666	0.96
89_G	156_D	0.666	0.96
67_T	124_Y	0.664	0.96
74_V	80_V	0.664	0.96
66_G	83_T	0.661	0.96
60_A	80_V	0.655	0.96
60_A	64_T	0.652	0.96
100_T	125_V	0.650	0.96
170_P	182_A	0.649	0.96
12_R	38_V	0.642	0.96
172_G	176_T	0.642	0.96
18_T	96_D	0.640	0.95
181_Q	184_V	0.639	0.95
14_T	17_T	0.637	0.95
3_L	195_F	0.631	0.95
158_I	164_P	0.620	0.95
140_T	166_A	0.620	0.95
183_A	187_D	0.619	0.95
183_A	220_G	0.619	0.95
15_V	97_A	0.614	0.94
33_T	37_E	0.614	0.94
112_T	115_E	0.612	0.94
158_I	167_A	0.611	0.94
5_W	199_Y	0.609	0.94
53_I	56_V	0.609	0.94
89_G	157_V	0.607	0.94
94_L	97_A	0.607	0.94
148_T	154_M	0.607	0.94
104_A	123_G	0.607	0.94
142_F	166_A	0.602	0.94
173_D	204_P	0.602	0.94
61_D	81_E	0.598	0.94
150_L	154_M	0.598	0.94
100_T	162_L	0.597	0.93
89_G	102_V	0.596	0.93
148_T	177_M	0.594	0.93
9_S	197_M	0.593	0.93
70_V	74_V	0.590	0.93
196_P	199_Y	0.589	0.93
67_T	101_M	0.588	0.93
144_H	168_A	0.583	0.93
102_V	157_V	0.582	0.93
3_L	13_V	0.580	0.92
47_H	106_H	0.579	0.92
171_V	196_P	0.576	0.92
57_G	78_T	0.575	0.92
73_Y	78_T	0.574	0.92
15_V	126_I	0.573	0.92
12_R	33_T	0.572	0.92
46_T	124_Y	0.571	0.92
53_I	78_T	0.571	0.92
15_V	140_T	0.570	0.92
105_D	149_S	0.567	0.92
195_F	234_V	0.566	0.92
179_P	215_E	0.566	0.92
125_V	143_Y	0.562	0.91
175_F	205_I	0.561	0.91
21_L	38_V	0.560	0.91
159_G	190_D	0.556	0.91
196_P	212_F	0.549	0.90
223_A	228_L	0.548	0.90
45_L	70_V	0.547	0.90
86_M	122_V	0.545	0.90
220_G	225_V	0.543	0.90
196_P	227_V	0.542	0.90
214_R	217_N	0.542	0.90
47_H	51_D	0.539	0.89
179_P	183_A	0.538	0.89
218_A	221_S	0.536	0.89
187_D	190_D	0.536	0.89
15_V	138_D	0.536	0.89
164_P	167_A	0.536	0.89
44_L	123_G	0.533	0.89
202_F	205_I	0.533	0.89
66_G	74_V	0.532	0.89
80_V	83_T	0.532	0.89
109_G	112_T	0.532	0.89
8_H	50_A	0.531	0.89
170_P	178_G	0.530	0.89
125_V	162_L	0.529	0.89
73_Y	76_D	0.527	0.88
163_D	192_D	0.526	0.88
40_V	43_V	0.525	0.88
44_L	65_V	0.525	0.88
48_G	118_G	0.524	0.88
28_N	54_A	0.522	0.88
53_I	73_Y	0.521	0.88
154_M	188_W	0.520	0.88
108_N	119_G	0.520	0.88
141_T	163_D	0.519	0.88
75_A	79_G	0.519	0.88
10_T	35_P	0.519	0.88
157_V	164_P	0.519	0.88
213_E	227_V	0.515	0.87
171_V	201_T	0.514	0.87
185_A	189_L	0.514	0.87
45_L	74_V	0.514	0.87
127_S	139_A	0.514	0.87
48_G	70_V	0.513	0.87
126_I	144_H	0.511	0.87
88_L	120_T	0.511	0.87
217_N	220_G	0.510	0.87
5_W	230_G	0.504	0.86
183_A	216_V	0.503	0.86
27_D	31_T	0.501	0.86
217_N	221_S	0.501	0.86
158_I	189_L	0.501	0.86
216_V	227_V	0.500	0.86
149_S	181_Q	0.500	0.86
68_P	71_T	0.500	0.86

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
4qn9A	2	0.95	100	0.345	Contact Map
3rpcA	2	0.9292	100	0.39	Contact Map
3bv6A	5	0.9542	100	0.467	Contact Map
2wylA	5	0.925	100	0.49	Contact Map
4jo0A	2	0.9042	100	0.508	Contact Map
3kl7A	1	0.8333	100	0.541	Contact Map
1zkpA	2	0.8625	100	0.562	Contact Map
2cbnA	2	0.9125	100	0.564	Contact Map
1vjnA	1	0.75	100	0.573	Contact Map
3zwfA	2	0.825	100	0.575	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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