THIG - BACSU - GREMLIN Contacts

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THIG - Thiazole synthase

UniProt:	O31618	Sequences: MSMLTIGGKSFQSRLLLGTGKYPSFDIQKEAVAVSESDILTFAVRRMNIFEASQPNFLEQLDLSKYTLLPNTAGASTAEEAVRIARLAKASGLCDMIKVEVIGCSRSLLPDPVETLKASEQLLEEGFIVLPYTSDDVVLARKLEELGVHAIMPGASPIGSGQGILNPLNLSFIIEQAKVPVIVDAGIGSPKDAAYAMELGADGVLLNTAVSGADDPVKMARAMKLAVEAGRLSYEAGRIPLKQYGTASSPGEGLPV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	256 (250)
Sequences:	1816 (713)
Seq/√Len:	45.1

ECOLI - THIG
BACSU - THIG

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
119_S	148_V	5.218	1.00
86_R	125_E	4.983	1.00
95_D	128_I	3.870	1.00
82_V	121_Q	3.524	1.00
225_L	228_E	3.383	1.00
16_L	39_I	3.357	1.00
133_T	140_A	2.976	1.00
167_P	195_Y	2.975	1.00
215_D	218_K	2.874	1.00
5_T	8_G	2.830	1.00
117_K	120_E	2.696	1.00
120_E	124_E	2.629	1.00
17_L	210_V	2.587	1.00
189_S	238_R	2.577	1.00
9_K	67_T	2.527	1.00
11_F	39_I	2.488	1.00
225_L	232_L	2.442	1.00
112_P	139_L	2.441	1.00
231_R	235_E	2.392	1.00
182_I	203_G	2.378	1.00
114_E	117_K	2.352	1.00
231_R	234_Y	2.316	1.00
99_V	119_S	2.251	1.00
26_D	30_E	2.251	1.00
221_R	232_L	2.175	1.00
130_L	150_A	2.110	1.00
161_G	239_I	2.103	1.00
155_A	196_A	2.045	0.99
128_I	149_H	2.044	0.99
218_K	232_L	2.034	0.99
116_L	139_L	2.026	0.99
5_T	10_S	1.987	0.99
123_L	146_L	1.977	0.99
192_D	195_Y	1.951	0.99
221_R	225_L	1.906	0.99
164_I	196_A	1.896	0.99
144_E	178_K	1.861	0.99
15_L	227_V	1.855	0.99
218_K	225_L	1.765	0.98
78_A	114_E	1.761	0.98
121_Q	125_E	1.735	0.98
224_K	228_E	1.722	0.98
17_L	37_S	1.718	0.98
3_M	10_S	1.648	0.97
171_S	243_Q	1.630	0.97
171_S	175_E	1.592	0.97
16_L	182_I	1.584	0.97
221_R	228_E	1.571	0.96
174_I	201_A	1.565	0.96
78_A	82_V	1.558	0.96
162_Q	168_L	1.544	0.96
189_S	233_S	1.541	0.96
214_D	237_G	1.524	0.96
12_Q	38_D	1.514	0.96
119_S	146_L	1.512	0.96
232_L	235_E	1.485	0.95
78_A	121_Q	1.460	0.95
113_V	139_L	1.440	0.94
88_A	97_I	1.425	0.94
134_S	169_N	1.423	0.94
144_E	177_A	1.397	0.93
162_Q	241_L	1.378	0.93
23_P	27_I	1.374	0.93
7_G	128_I	1.353	0.92
218_K	235_E	1.352	0.92
192_D	241_L	1.338	0.92
29_K	33_A	1.334	0.91
34_V	217_V	1.327	0.91
212_G	239_I	1.319	0.91
130_L	149_H	1.317	0.91
11_F	67_T	1.308	0.91
32_V	40_L	1.296	0.90
208_T	212_G	1.285	0.90
119_S	123_L	1.279	0.90
142_K	145_E	1.270	0.89
190_P	233_S	1.267	0.89
15_L	210_V	1.256	0.89
144_E	179_V	1.245	0.88
135_D	166_N	1.238	0.88
124_E	145_E	1.237	0.88
62_D	65_K	1.219	0.87
135_D	169_N	1.217	0.87
30_E	33_A	1.217	0.87
6_I	16_L	1.198	0.86
79_E	121_Q	1.191	0.86
117_K	121_Q	1.182	0.86
28_Q	40_L	1.169	0.85
112_P	133_T	1.164	0.85
36_E	228_E	1.154	0.84
191_K	198_E	1.152	0.84
16_L	205_L	1.133	0.83
103_G	138_V	1.131	0.83
113_V	120_E	1.130	0.83
218_K	221_R	1.128	0.83
34_V	221_R	1.124	0.83
141_R	144_E	1.121	0.82
120_E	142_K	1.107	0.82
27_I	217_V	1.105	0.81
39_I	67_T	1.105	0.81
206_L	210_V	1.097	0.81
111_D	157_P	1.092	0.81
75_A	84_I	1.089	0.80
173_I	177_A	1.085	0.80
218_K	236_A	1.064	0.79
6_I	182_I	1.063	0.79
181_V	201_A	1.048	0.78
131_P	148_V	1.047	0.78
7_G	96_M	1.041	0.77
79_E	86_R	1.040	0.77
77_T	80_E	1.037	0.77
156_S	192_D	1.036	0.77
137_V	177_A	1.035	0.77
221_R	224_K	1.033	0.77
78_A	101_V	1.033	0.77
83_R	86_R	1.029	0.77
113_V	142_K	1.029	0.77
207_N	211_S	1.023	0.76
92_G	249_S	1.023	0.76
36_E	224_K	1.017	0.76
17_L	32_V	1.017	0.76
33_A	66_Y	1.014	0.75
33_A	65_K	1.013	0.75
174_I	181_V	1.004	0.75
107_S	135_D	1.004	0.75
170_L	201_A	1.001	0.75
173_I	181_V	1.000	0.74
187_I	223_M	0.993	0.74
242_K	246_T	0.986	0.73
139_L	143_L	0.982	0.73
123_L	148_V	0.980	0.73
139_L	142_K	0.975	0.73
101_V	253_G	0.969	0.72
11_F	96_M	0.964	0.72
24_S	27_I	0.960	0.71
193_A	227_V	0.953	0.71
247_A	252_E	0.949	0.70
155_A	164_I	0.941	0.70
17_L	31_A	0.936	0.69
177_A	181_V	0.935	0.69
4_L	202_D	0.934	0.69
14_R	231_R	0.933	0.69
86_R	121_Q	0.925	0.68
79_E	117_K	0.922	0.68
11_F	130_L	0.920	0.68
166_N	169_N	0.920	0.68
168_L	171_S	0.917	0.68
45_R	253_G	0.915	0.68
6_I	130_L	0.914	0.68
30_E	217_V	0.905	0.67
144_E	151_I	0.902	0.67
156_S	165_L	0.883	0.65
16_L	119_S	0.873	0.64
197_M	231_R	0.871	0.64
165_L	168_L	0.869	0.64
160_S	244_Y	0.859	0.63
22_Y	211_S	0.856	0.62
138_V	142_K	0.853	0.62
88_A	91_S	0.852	0.62
189_S	192_D	0.843	0.61
7_G	150_A	0.838	0.61
32_V	66_Y	0.834	0.60
205_L	216_P	0.830	0.60
162_Q	165_L	0.829	0.60
76_S	105_S	0.817	0.59
164_I	187_I	0.816	0.59
9_K	130_L	0.813	0.58
187_I	227_V	0.812	0.58
194_A	229_A	0.812	0.58
83_R	92_G	0.811	0.58
151_I	179_V	0.810	0.58
175_E	244_Y	0.806	0.58
102_I	253_G	0.798	0.57
56_N	59_E	0.797	0.57
9_K	96_M	0.792	0.56
73_A	161_G	0.787	0.56
107_S	172_F	0.783	0.56
28_Q	31_A	0.779	0.55
32_V	165_L	0.777	0.55
145_E	173_I	0.777	0.55
90_A	93_L	0.774	0.55
78_A	117_K	0.773	0.55
137_V	173_I	0.773	0.55
111_D	142_K	0.770	0.54
22_Y	40_L	0.768	0.54
8_G	233_S	0.765	0.54
103_G	107_S	0.764	0.54
116_L	137_V	0.763	0.54
113_V	116_L	0.761	0.53
69_L	130_L	0.756	0.53
84_I	102_I	0.756	0.53
123_L	129_V	0.756	0.53
192_D	238_R	0.752	0.53
161_G	212_G	0.751	0.52
22_Y	207_N	0.749	0.52
204_V	227_V	0.745	0.52
141_R	176_Q	0.744	0.52
55_P	59_E	0.741	0.52
5_T	9_K	0.739	0.51
197_M	230_G	0.736	0.51
225_L	229_A	0.731	0.51
96_M	130_L	0.729	0.50
187_I	195_Y	0.729	0.50
107_S	169_N	0.725	0.50
28_Q	32_V	0.724	0.50
21_K	28_Q	0.721	0.50
228_E	232_L	0.719	0.49
190_P	238_R	0.719	0.49
17_L	40_L	0.711	0.49
112_P	162_Q	0.710	0.48
42_F	68_L	0.706	0.48
167_P	199_L	0.705	0.48
183_V	207_N	0.703	0.48
106_R	244_Y	0.701	0.48
82_V	86_R	0.698	0.47
25_F	60_Q	0.698	0.47
140_A	173_I	0.697	0.47
182_I	206_L	0.695	0.47
29_K	63_L	0.693	0.47
116_L	120_E	0.692	0.47
102_I	248_S	0.689	0.46
155_A	170_L	0.683	0.46
8_G	128_I	0.682	0.46
156_S	208_T	0.679	0.45
76_S	133_T	0.677	0.45
32_V	57_F	0.676	0.45
162_Q	187_I	0.674	0.45
142_K	146_L	0.671	0.45
96_M	131_P	0.670	0.45
218_K	233_S	0.670	0.45
37_S	199_L	0.669	0.45
190_P	223_M	0.667	0.44
161_G	238_R	0.666	0.44
155_A	212_G	0.666	0.44
69_L	99_V	0.663	0.44
247_A	251_G	0.663	0.44
104_C	176_Q	0.654	0.43
85_A	94_C	0.648	0.43
60_Q	148_V	0.646	0.42
68_L	94_C	0.643	0.42
17_L	66_Y	0.640	0.42
73_A	239_I	0.639	0.42
81_A	101_V	0.637	0.41
22_Y	31_A	0.636	0.41
17_L	22_Y	0.635	0.41
38_D	65_K	0.632	0.41
144_E	174_I	0.630	0.41
58_L	92_G	0.625	0.40
13_S	224_K	0.624	0.40
144_E	176_Q	0.623	0.40
29_K	64_S	0.623	0.40
243_Q	246_T	0.621	0.40
31_A	220_A	0.621	0.40
9_K	38_D	0.620	0.40
75_A	99_V	0.620	0.40
187_I	192_D	0.618	0.40
172_F	243_Q	0.617	0.40
79_E	92_G	0.617	0.40
170_L	174_I	0.615	0.39
157_P	162_Q	0.614	0.39
103_G	135_D	0.613	0.39
237_G	240_P	0.613	0.39
7_G	149_H	0.612	0.39
45_R	84_I	0.611	0.39
128_I	131_P	0.608	0.39
65_K	79_E	0.607	0.39
39_I	96_M	0.604	0.38
99_V	148_V	0.603	0.38
182_I	202_D	0.600	0.38
42_F	88_A	0.600	0.38
45_R	133_T	0.600	0.38
73_A	102_I	0.599	0.38
73_A	212_G	0.598	0.38
144_E	173_I	0.598	0.38
19_T	205_L	0.596	0.38
115_T	156_S	0.596	0.38
4_L	32_V	0.595	0.38
7_G	11_F	0.592	0.37
85_A	112_P	0.592	0.37
170_L	183_V	0.591	0.37
20_G	43_A	0.591	0.37
27_I	30_E	0.590	0.37
129_V	198_E	0.588	0.37
58_L	77_T	0.588	0.37
109_L	154_G	0.584	0.37
37_S	40_L	0.584	0.37
115_T	174_I	0.584	0.37
107_S	166_N	0.583	0.36
189_S	194_A	0.582	0.36
15_L	206_L	0.579	0.36
160_S	187_I	0.578	0.36
97_I	129_V	0.577	0.36
150_A	182_I	0.576	0.36
4_L	11_F	0.575	0.36
84_I	99_V	0.575	0.36
156_S	247_A	0.570	0.35
175_E	182_I	0.570	0.35
116_L	119_S	0.569	0.35
155_A	183_V	0.568	0.35
11_F	38_D	0.568	0.35
215_D	226_A	0.568	0.35
109_L	157_P	0.566	0.35
217_V	224_K	0.566	0.35
117_K	142_K	0.565	0.35
47_M	58_L	0.562	0.35
43_A	150_A	0.561	0.35
123_L	145_E	0.561	0.35
45_R	140_A	0.560	0.34
137_V	144_E	0.558	0.34
111_D	114_E	0.558	0.34
79_E	83_R	0.557	0.34
196_A	199_L	0.557	0.34
15_L	35_S	0.556	0.34
189_S	195_Y	0.555	0.34
164_I	195_Y	0.555	0.34
104_C	141_R	0.553	0.34
58_L	208_T	0.553	0.34
35_S	216_P	0.552	0.34
82_V	125_E	0.550	0.34
45_R	83_R	0.550	0.34
197_M	227_V	0.549	0.33
134_S	138_V	0.548	0.33
223_M	238_R	0.548	0.33
58_L	177_A	0.547	0.33
89_K	95_D	0.547	0.33
107_S	133_T	0.547	0.33
72_T	85_A	0.545	0.33
10_S	61_L	0.543	0.33
47_M	56_N	0.543	0.33
55_P	60_Q	0.542	0.33
195_Y	199_L	0.541	0.33
3_M	235_E	0.540	0.33
77_T	241_L	0.538	0.33
17_L	220_A	0.538	0.33
171_S	213_A	0.537	0.32
141_R	178_K	0.537	0.32
104_C	172_F	0.537	0.32
66_Y	90_A	0.536	0.32
44_V	92_G	0.536	0.32
113_V	173_I	0.535	0.32
84_I	90_A	0.534	0.32
124_E	228_E	0.530	0.32
20_G	109_L	0.530	0.32
135_D	167_P	0.529	0.32
151_I	238_R	0.529	0.32
201_A	233_S	0.527	0.32
187_I	206_L	0.527	0.32
88_A	92_G	0.526	0.32
67_T	96_M	0.526	0.32
27_I	215_D	0.523	0.31
197_M	234_Y	0.522	0.31
19_T	216_P	0.522	0.31
169_N	203_G	0.518	0.31
21_K	196_A	0.518	0.31
166_N	223_M	0.517	0.31
26_D	29_K	0.517	0.31
103_G	174_I	0.517	0.31
45_R	170_L	0.514	0.31
61_L	92_G	0.514	0.31
179_V	213_A	0.513	0.30
134_S	166_N	0.510	0.30
53_S	91_S	0.510	0.30
109_L	112_P	0.509	0.30
133_T	156_S	0.509	0.30
77_T	232_L	0.508	0.30
14_R	234_Y	0.508	0.30
106_R	212_G	0.507	0.30
3_M	179_V	0.507	0.30
126_G	203_G	0.507	0.30
57_F	73_A	0.507	0.30
219_M	236_A	0.505	0.30
171_S	199_L	0.505	0.30
121_Q	124_E	0.503	0.30
22_Y	251_G	0.503	0.30
23_P	224_K	0.502	0.30
120_E	145_E	0.500	0.29

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
2htmA	3	0.9336	100	0.524	Contact Map
1wv2A	3	0.8945	100	0.533	Contact Map
1xm3A	4	0.9805	100	0.608	Contact Map
4n6fA	2	0.9297	100	0.716	Contact Map
1ep3A	2	0.9453	99.6	0.859	Contact Map
3o07A	3	0.8203	99.5	0.872	Contact Map
1f76A	1	0.8516	99.4	0.876	Contact Map
4ef8A	2	0.9336	99.4	0.877	Contact Map
4oqvA	1	0.9258	99.4	0.877	Contact Map
2h6rA	3	0.7539	99.4	0.877	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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