TENI - BACSU - GREMLIN Contacts

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TENI - Thiazole tautomerase

UniProt:	P25053	Sequences: MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	205 (193)
Sequences:	5437 (4103)
Seq/√Len:	295.3

ECOLI - THIE
BACSU - TENI THIE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
43_L	70_F	2.842	1.00
128_C	176_M	2.841	1.00
72_T	95_L	2.566	1.00
186_L	190_R	2.533	1.00
50_F	53_G	2.372	1.00
38_S	41_D	2.290	1.00
46_L	71_S	2.279	1.00
92_F	95_L	2.248	1.00
23_I	57_R	2.185	1.00
39_A	64_R	2.155	1.00
162_L	173_I	2.117	1.00
184_E	187_E	2.085	1.00
109_Q	113_E	2.053	1.00
159_P	191_R	2.045	1.00
111_E	148_S	1.978	1.00
24_Q	186_L	1.932	1.00
124_F	161_R	1.905	1.00
92_F	97_I	1.901	1.00
144_K	171_D	1.829	1.00
80_S	106_E	1.824	1.00
163_R	195_K	1.822	1.00
53_G	74_H	1.776	1.00
78_L	88_I	1.745	1.00
5_A	180_F	1.744	1.00
144_K	151_V	1.728	1.00
87_Q	90_A	1.711	1.00
123_V	140_L	1.684	1.00
124_F	164_D	1.651	1.00
43_L	47_D	1.646	1.00
23_I	55_D	1.634	1.00
52_G	59_L	1.618	1.00
5_A	179_I	1.609	1.00
187_E	191_R	1.597	1.00
122_H	134_G	1.592	1.00
20_I	24_Q	1.574	1.00
20_I	54_I	1.563	1.00
25_N	186_L	1.557	1.00
121_G	154_I	1.541	1.00
5_A	27_V	1.507	1.00
102_H	106_E	1.505	1.00
104_L	108_V	1.499	1.00
178_G	192_Y	1.495	1.00
108_V	111_E	1.469	1.00
98_G	117_Y	1.466	1.00
14_E	18_R	1.466	1.00
111_E	149_I	1.464	1.00
34_E	37_K	1.458	1.00
25_N	189_A	1.436	1.00
15_E	20_I	1.416	1.00
43_L	71_S	1.413	1.00
158_T	161_R	1.368	1.00
7_T	30_I	1.359	1.00
108_V	146_R	1.353	1.00
24_Q	55_D	1.350	1.00
84_S	87_Q	1.341	1.00
182_S	188_A	1.326	1.00
42_I	64_R	1.326	1.00
79_P	82_S	1.305	1.00
50_F	74_H	1.299	1.00
29_F	60_V	1.290	1.00
86_K	113_E	1.281	1.00
159_P	192_Y	1.277	1.00
65_V	76_V	1.269	1.00
85_P	99_R	1.263	1.00
135_R	139_L	1.250	1.00
27_V	30_I	1.250	1.00
103_S	106_E	1.250	1.00
50_F	59_L	1.244	1.00
43_L	67_I	1.221	1.00
23_I	52_G	1.218	1.00
28_D	193_S	1.213	1.00
99_R	115_A	1.206	1.00
32_I	45_L	1.205	1.00
44_K	48_L	1.201	1.00
142_D	146_R	1.201	1.00
76_V	97_I	1.198	1.00
107_A	147_I	1.181	1.00
107_A	143_I	1.173	1.00
32_I	59_L	1.164	1.00
31_H	62_N	1.159	1.00
164_D	167_Q	1.150	1.00
104_L	146_R	1.147	1.00
104_L	142_D	1.147	1.00
48_L	51_E	1.137	1.00
188_A	191_R	1.137	1.00
32_I	42_I	1.133	1.00
187_E	190_R	1.114	1.00
125_E	134_G	1.111	1.00
44_K	47_D	1.105	1.00
178_G	188_A	1.101	1.00
41_D	44_K	1.101	1.00
17_A	20_I	1.098	1.00
108_V	112_K	1.096	1.00
162_L	195_K	1.096	1.00
9_D	34_E	1.093	1.00
138_S	142_D	1.081	1.00
15_E	19_I	1.079	1.00
141_S	145_Q	1.076	1.00
120_F	151_V	1.074	1.00
19_I	49_I	1.073	1.00
8_D	11_K	1.072	1.00
127_D	177_S	1.055	1.00
152_I	172_G	1.050	1.00
50_F	71_S	1.049	1.00
179_I	189_A	1.049	1.00
138_S	141_S	1.038	1.00
139_L	142_D	1.038	1.00
64_R	67_I	1.038	1.00
15_E	18_R	1.030	1.00
69_L	91_R	1.025	1.00
34_E	45_L	1.015	1.00
190_R	194_R	1.014	1.00
52_G	55_D	0.998	1.00
28_D	57_R	0.991	1.00
78_L	99_R	0.985	1.00
140_L	153_A	0.977	1.00
141_S	168_A	0.960	1.00
88_I	92_F	0.959	1.00
104_L	143_I	0.958	1.00
21_I	186_L	0.957	1.00
37_K	41_D	0.950	1.00
32_I	46_L	0.949	1.00
51_E	54_I	0.947	1.00
123_V	153_A	0.946	1.00
6_I	176_M	0.945	1.00
85_P	115_A	0.942	1.00
37_K	42_I	0.939	1.00
140_L	144_K	0.937	1.00
136_G	139_L	0.936	1.00
109_Q	112_K	0.929	1.00
165_V	170_A	0.922	1.00
21_I	24_Q	0.918	1.00
137_V	168_A	0.909	1.00
77_Q	117_Y	0.909	1.00
6_I	154_I	0.905	1.00
80_S	99_R	0.902	1.00
46_L	61_M	0.898	1.00
191_R	195_K	0.896	1.00
158_T	177_S	0.895	1.00
85_P	97_I	0.895	1.00
101_V	107_A	0.887	1.00
39_A	70_F	0.887	1.00
189_A	193_S	0.885	1.00
39_A	66_D	0.876	1.00
40_A	44_K	0.874	1.00
41_D	45_L	0.869	1.00
162_L	166_K	0.864	1.00
177_S	181_S	0.853	1.00
105_E	108_V	0.850	1.00
60_V	96_H	0.849	1.00
67_I	71_S	0.847	1.00
66_D	70_F	0.840	1.00
175_V	179_I	0.831	1.00
61_M	73_I	0.830	1.00
157_M	165_V	0.829	1.00
4_H	31_H	0.826	1.00
22_T	179_I	0.821	1.00
163_R	167_Q	0.821	1.00
49_I	59_L	0.821	1.00
27_V	179_I	0.821	1.00
123_V	137_V	0.820	1.00
99_R	113_E	0.814	1.00
4_H	152_I	0.814	1.00
74_H	96_H	0.809	1.00
23_I	30_I	0.807	1.00
39_A	83_F	0.806	1.00
120_F	143_I	0.805	1.00
16_L	48_L	0.797	0.99
60_V	75_R	0.796	0.99
107_A	118_V	0.794	0.99
158_T	178_G	0.793	0.99
159_P	188_A	0.783	0.99
101_V	110_A	0.782	0.99
27_V	189_A	0.778	0.99
66_D	69_L	0.777	0.99
120_F	139_L	0.772	0.99
63_G	79_P	0.766	0.99
7_T	19_I	0.764	0.99
191_R	194_R	0.761	0.99
179_I	188_A	0.760	0.99
42_I	67_I	0.758	0.99
142_D	145_Q	0.757	0.99
137_V	165_V	0.754	0.99
42_I	62_N	0.748	0.99
175_V	192_Y	0.739	0.99
137_V	164_D	0.737	0.99
22_T	25_N	0.734	0.99
83_F	91_R	0.734	0.99
9_D	36_S	0.724	0.99
18_R	21_I	0.723	0.99
5_A	22_T	0.718	0.99
5_A	30_I	0.714	0.99
89_R	116_D	0.704	0.99
111_E	147_I	0.701	0.99
3_L	193_S	0.695	0.99
161_R	165_V	0.694	0.99
119_L	154_I	0.693	0.99
105_E	109_Q	0.690	0.99
151_V	171_D	0.687	0.98
63_G	82_S	0.684	0.98
118_V	151_V	0.682	0.98
46_L	73_I	0.680	0.98
78_L	97_I	0.677	0.98
76_V	88_I	0.674	0.98
108_V	147_I	0.672	0.98
10_S	36_S	0.669	0.98
111_E	114_D	0.669	0.98
47_D	50_F	0.668	0.98
20_I	55_D	0.667	0.98
96_H	117_Y	0.665	0.98
70_F	87_Q	0.662	0.98
16_L	45_L	0.661	0.98
6_I	174_A	0.659	0.98
17_A	21_I	0.651	0.98
9_D	45_L	0.650	0.98
21_I	25_N	0.640	0.98
35_R	129_K	0.638	0.98
28_D	172_G	0.635	0.97
153_A	170_A	0.635	0.97
83_F	87_Q	0.635	0.97
50_F	73_I	0.634	0.97
118_V	147_I	0.633	0.97
185_P	188_A	0.628	0.97
31_H	119_L	0.628	0.97
102_H	132_L	0.626	0.97
59_L	74_H	0.618	0.97
126_T	177_S	0.616	0.97
131_G	134_G	0.616	0.97
11_K	181_S	0.614	0.97
114_D	149_I	0.611	0.97
28_D	58_K	0.609	0.97
29_F	58_K	0.608	0.97
47_D	71_S	0.607	0.97
89_R	92_F	0.606	0.97
89_R	97_I	0.606	0.97
60_V	95_L	0.605	0.97
120_F	135_R	0.603	0.97
144_K	168_A	0.603	0.97
84_S	109_Q	0.601	0.97
14_E	17_A	0.601	0.97
110_A	114_D	0.598	0.96
152_I	171_D	0.598	0.96
157_M	161_R	0.597	0.96
30_I	52_G	0.596	0.96
159_P	162_L	0.595	0.96
35_R	79_P	0.595	0.96
102_H	135_R	0.590	0.96
39_A	42_I	0.590	0.96
14_E	20_I	0.588	0.96
140_L	170_A	0.578	0.96
8_D	180_F	0.577	0.96
140_L	168_A	0.574	0.95
7_T	15_E	0.571	0.95
33_R	129_K	0.570	0.95
188_A	192_Y	0.566	0.95
165_V	173_I	0.563	0.95
32_I	49_I	0.562	0.95
67_I	70_F	0.561	0.95
122_H	132_L	0.558	0.95
78_L	85_P	0.557	0.95
12_P	18_R	0.556	0.95
36_S	130_K	0.555	0.95
101_V	106_E	0.555	0.95
79_P	129_K	0.553	0.94
35_R	63_G	0.549	0.94
122_H	154_I	0.549	0.94
123_V	136_G	0.544	0.94
39_A	67_I	0.538	0.94
85_P	113_E	0.536	0.94
89_R	95_L	0.535	0.93
84_S	113_E	0.534	0.93
8_D	34_E	0.532	0.93
21_I	185_P	0.531	0.93
100_S	121_G	0.530	0.93
37_K	45_L	0.527	0.93
9_D	37_K	0.526	0.93
17_A	48_L	0.525	0.93
86_K	90_A	0.520	0.93
123_V	165_V	0.518	0.92
152_I	174_A	0.515	0.92
34_E	42_I	0.513	0.92
46_L	59_L	0.511	0.92
127_D	130_K	0.510	0.92
49_I	52_G	0.510	0.92
118_V	149_I	0.509	0.92
166_K	170_A	0.509	0.92
78_L	83_F	0.507	0.92
4_H	29_F	0.506	0.91
141_S	167_Q	0.504	0.91
35_R	62_N	0.500	0.91

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
3nl6A	4	0.9902	100	0.317	Contact Map
3ceuA	1	0.922	100	0.403	Contact Map
1yadA	2	0.9415	100	0.415	Contact Map
3o63A	2	0.9415	100	0.426	Contact Map
1twdA	2	0.9512	100	0.43	Contact Map
1xi3A	2	0.9561	100	0.46	Contact Map
2tpsA	1	0.9902	100	0.464	Contact Map
4wuiA	1	0.922	100	0.466	Contact Map
2yw3A	4	0.9024	100	0.481	Contact Map
2bdqA	2	0.8439	100	0.509	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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