THIN - BACSU - GREMLIN Contacts

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THIN - Thiamine pyrophosphokinase

UniProt:	O34664	Sequences: MKTINIVAGGPKNLIPDLTGYTDEHTLWIGVDKGTVTLLDAGIIPVEAFGDFDSITEQERRRIEKAAPALHVYQAEKDQTDLDLALDWALEKQPDIIQIFGITGGRADHFLGNIQLLYKGVKTNIKIRLIDKQNHIQMFPPGEYDIEKDENKRYISFIPFSEDIHELTLTGFKYPLNNCHITLGSTLCISNELIHSRGTFSFAKGILIMIRSTD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	214 (204)
Sequences:	2139 (1788)
Seq/√Len:	125.2

BACSU - THIN

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
169_L	172_F	4.337	1.00
73_Y	84_L	3.908	1.00
173_K	192_E	3.328	1.00
8_A	82_L	3.237	1.00
76_E	173_K	3.151	1.00
170_T	199_T	3.035	1.00
155_I	172_F	2.990	1.00
88_W	92_K	2.755	1.00
9_G	33_K	2.577	1.00
29_I	89_A	2.465	1.00
193_L	198_G	2.395	1.00
165_H	204_K	2.297	1.00
79_Q	87_D	2.048	1.00
176_L	179_C	2.007	1.00
128_R	135_H	1.994	1.00
166_E	203_A	1.989	1.00
47_E	88_W	1.989	1.00
178_N	203_A	1.959	1.00
69_A	92_K	1.932	1.00
33_K	36_V	1.894	1.00
31_V	85_A	1.881	1.00
166_E	178_N	1.880	1.00
143_E	201_S	1.873	1.00
170_T	177_N	1.853	1.00
99_I	102_I	1.847	1.00
88_W	91_E	1.845	1.00
96_I	126_K	1.824	1.00
27_L	46_V	1.818	1.00
172_F	198_G	1.806	1.00
7_V	38_L	1.778	1.00
120_G	127_I	1.767	1.00
145_D	197_R	1.758	1.00
107_A	110_F	1.745	1.00
154_Y	192_E	1.724	1.00
48_A	63_I	1.684	1.00
143_E	199_T	1.643	1.00
155_I	198_G	1.613	1.00
4_I	94_P	1.594	1.00
83_D	119_K	1.576	1.00
36_V	59_E	1.567	1.00
105_G	133_Q	1.548	1.00
117_L	127_I	1.498	1.00
98_Q	128_R	1.496	1.00
82_L	99_I	1.487	1.00
103_T	110_F	1.430	1.00
106_R	190_S	1.413	1.00
139_F	144_Y	1.408	1.00
80_T	189_I	1.403	1.00
36_V	56_T	1.401	1.00
131_D	134_N	1.388	1.00
77_K	84_L	1.388	1.00
117_L	138_M	1.386	1.00
60_R	64_E	1.375	1.00
157_F	169_L	1.373	1.00
37_T	41_A	1.351	1.00
147_E	197_R	1.341	1.00
30_G	38_L	1.340	1.00
39_L	59_E	1.319	1.00
35_T	55_I	1.308	1.00
90_L	125_I	1.305	1.00
56_T	59_E	1.278	1.00
145_D	199_T	1.265	1.00
179_C	187_L	1.257	1.00
11_P	105_G	1.256	1.00
38_L	43_I	1.252	1.00
166_E	207_L	1.251	1.00
96_I	128_R	1.245	1.00
59_E	63_I	1.240	1.00
8_A	102_I	1.235	0.99
168_T	177_N	1.225	0.99
165_H	180_H	1.225	0.99
39_L	63_I	1.224	0.99
61_R	65_K	1.218	0.99
5_N	25_H	1.215	0.99
79_Q	84_L	1.203	0.99
45_P	48_A	1.198	0.99
71_H	88_W	1.192	0.99
169_L	179_C	1.179	0.99
28_W	43_I	1.175	0.99
39_L	62_R	1.166	0.99
139_F	200_F	1.161	0.99
156_S	189_I	1.159	0.99
55_I	63_I	1.157	0.99
172_F	193_L	1.149	0.99
99_I	129_L	1.147	0.99
64_E	72_V	1.145	0.99
172_F	175_P	1.141	0.99
6_I	31_V	1.129	0.99
103_T	136_I	1.116	0.99
89_A	97_I	1.073	0.99
61_R	64_E	1.068	0.99
86_L	97_I	1.066	0.98
160_F	183_L	1.064	0.98
6_I	89_A	1.064	0.98
27_L	47_E	1.064	0.98
25_H	98_Q	1.057	0.98
118_Y	183_L	1.056	0.98
170_T	175_P	1.052	0.98
113_N	129_L	1.048	0.98
36_V	39_L	1.039	0.98
157_F	188_C	1.038	0.98
4_I	93_Q	1.014	0.98
74_Q	77_K	1.013	0.98
98_Q	130_I	1.004	0.98
49_F	85_A	0.994	0.98
27_L	92_K	0.985	0.97
202_F	205_G	0.983	0.97
181_I	188_C	0.981	0.97
30_G	35_T	0.979	0.97
107_A	136_I	0.975	0.97
36_V	55_I	0.972	0.97
138_M	160_F	0.967	0.97
5_N	100_F	0.964	0.97
137_Q	209_M	0.960	0.97
21_Y	100_F	0.951	0.97
182_T	185_S	0.947	0.97
173_K	194_I	0.944	0.97
134_N	154_Y	0.937	0.97
157_F	209_M	0.928	0.96
139_F	209_M	0.920	0.96
57_E	61_R	0.918	0.96
166_E	180_H	0.916	0.96
30_G	48_A	0.907	0.96
168_T	178_N	0.905	0.96
7_V	30_G	0.902	0.96
102_I	113_N	0.896	0.96
31_V	34_G	0.895	0.96
29_I	49_F	0.894	0.96
49_F	88_W	0.887	0.95
48_A	52_F	0.884	0.95
158_I	189_I	0.884	0.95
13_N	132_K	0.880	0.95
29_I	85_A	0.875	0.95
47_E	92_K	0.875	0.95
121_V	140_P	0.871	0.95
202_F	206_I	0.862	0.95
157_F	207_L	0.858	0.94
103_T	131_D	0.855	0.94
76_E	79_Q	0.852	0.94
22_T	28_W	0.846	0.94
110_F	114_I	0.845	0.94
109_H	113_N	0.839	0.94
63_I	68_P	0.829	0.93
148_K	198_G	0.828	0.93
55_I	60_R	0.824	0.93
6_I	29_I	0.821	0.93
57_E	60_R	0.820	0.93
28_W	45_P	0.819	0.93
164_I	202_F	0.818	0.93
114_I	136_I	0.817	0.93
159_P	164_I	0.817	0.93
48_A	67_A	0.813	0.93
29_I	88_W	0.810	0.93
155_I	193_L	0.803	0.92
79_Q	83_D	0.803	0.92
105_G	110_F	0.799	0.92
27_L	94_P	0.799	0.92
40_D	56_T	0.796	0.92
102_I	129_L	0.795	0.92
164_I	167_L	0.795	0.92
139_F	142_G	0.791	0.92
37_T	40_D	0.790	0.92
112_G	189_I	0.788	0.91
89_A	94_P	0.784	0.91
67_A	70_L	0.776	0.91
115_Q	184_G	0.775	0.91
164_I	207_L	0.774	0.91
12_K	18_L	0.772	0.91
86_L	120_G	0.760	0.90
175_P	194_I	0.752	0.89
103_T	174_Y	0.749	0.89
168_T	203_A	0.748	0.89
35_T	39_L	0.746	0.89
170_T	201_S	0.746	0.89
118_Y	138_M	0.744	0.89
30_G	36_V	0.743	0.89
83_D	116_L	0.743	0.89
87_D	119_K	0.739	0.89
73_Y	79_Q	0.738	0.89
167_L	202_F	0.736	0.88
159_P	183_L	0.735	0.88
147_E	196_S	0.731	0.88
160_F	208_I	0.724	0.88
148_K	153_R	0.718	0.87
156_S	181_I	0.718	0.87
148_K	193_L	0.717	0.87
44_I	68_P	0.716	0.87
106_R	154_Y	0.715	0.87
62_R	66_A	0.713	0.87
159_P	184_G	0.711	0.87
35_T	63_I	0.710	0.87
68_P	71_H	0.709	0.87
149_D	153_R	0.705	0.86
128_R	137_Q	0.705	0.86
31_V	120_G	0.700	0.86
38_L	45_P	0.699	0.86
90_L	97_I	0.699	0.86
45_P	67_A	0.684	0.85
83_D	187_L	0.679	0.84
114_I	138_M	0.676	0.84
33_K	59_E	0.673	0.84
155_I	209_M	0.671	0.83
7_V	34_G	0.670	0.83
58_Q	61_R	0.669	0.83
52_F	154_Y	0.667	0.83
101_G	104_G	0.665	0.83
47_E	69_A	0.665	0.83
30_G	34_G	0.658	0.82
157_F	172_F	0.655	0.82
73_Y	77_K	0.654	0.82
35_T	48_A	0.654	0.82
129_L	136_I	0.653	0.82
62_R	65_K	0.649	0.81
103_T	107_A	0.645	0.81
30_G	33_K	0.645	0.81
112_G	188_C	0.645	0.81
186_T	189_I	0.644	0.81
76_E	174_Y	0.643	0.81
6_I	83_D	0.640	0.80
9_G	34_G	0.637	0.80
60_R	72_V	0.637	0.80
155_I	169_L	0.637	0.80
167_L	179_C	0.634	0.80
100_F	130_I	0.633	0.80
156_S	209_M	0.633	0.80
74_Q	79_Q	0.631	0.80
113_N	116_L	0.630	0.79
165_H	203_A	0.629	0.79
7_V	12_K	0.626	0.79
7_V	100_F	0.625	0.79
161_S	206_I	0.623	0.79
167_L	181_I	0.622	0.79
83_D	87_D	0.622	0.79
9_G	82_L	0.621	0.78
97_I	127_I	0.618	0.78
115_Q	183_L	0.612	0.77
4_I	27_L	0.610	0.77
112_G	190_S	0.607	0.77
175_P	195_H	0.604	0.77
63_I	67_A	0.602	0.76
179_C	188_C	0.599	0.76
28_W	38_L	0.597	0.76
157_F	200_F	0.594	0.75
79_Q	185_S	0.594	0.75
167_L	188_C	0.593	0.75
168_T	201_S	0.587	0.74
38_L	41_A	0.585	0.74
107_A	134_N	0.582	0.74
34_G	77_K	0.581	0.74
107_A	114_I	0.580	0.74
32_D	109_H	0.579	0.73
77_K	189_I	0.579	0.73
83_D	186_T	0.578	0.73
99_I	127_I	0.578	0.73
31_V	101_G	0.574	0.73
34_G	190_S	0.574	0.73
82_L	112_G	0.573	0.73
166_E	202_F	0.572	0.73
115_Q	185_S	0.570	0.72
181_I	187_L	0.569	0.72
115_Q	158_I	0.566	0.72
167_L	176_L	0.566	0.72
33_K	52_F	0.564	0.72
39_L	42_G	0.555	0.70
169_L	198_G	0.554	0.70
74_Q	84_L	0.553	0.70
77_K	82_L	0.550	0.70
166_E	204_K	0.550	0.70
159_P	179_C	0.548	0.69
144_Y	209_M	0.547	0.69
155_I	167_L	0.546	0.69
42_G	203_A	0.545	0.69
33_K	37_T	0.543	0.69
32_D	50_G	0.542	0.69
5_N	22_T	0.541	0.68
44_I	69_A	0.539	0.68
118_Y	122_K	0.537	0.68
35_T	60_R	0.531	0.67
77_K	205_G	0.531	0.67
161_S	183_L	0.531	0.67
163_D	182_T	0.530	0.67
103_T	129_L	0.527	0.66
52_F	59_E	0.523	0.66
111_L	114_I	0.521	0.66
120_G	125_I	0.519	0.65
82_L	186_T	0.519	0.65
112_G	158_I	0.519	0.65
91_E	194_I	0.517	0.65
87_D	186_T	0.514	0.64
14_L	40_D	0.513	0.64
21_Y	130_I	0.513	0.64
55_I	67_A	0.513	0.64
28_W	100_F	0.513	0.64
44_I	67_A	0.513	0.64
203_A	207_L	0.512	0.64
49_F	74_Q	0.512	0.64
122_K	140_P	0.509	0.64
124_N	127_I	0.508	0.64
82_L	179_C	0.506	0.63
44_I	66_A	0.506	0.63
141_P	202_F	0.505	0.63
39_L	67_A	0.504	0.63
180_H	203_A	0.504	0.63
83_D	86_L	0.504	0.63
118_Y	184_G	0.500	0.62
181_I	186_T	0.500	0.62

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
3lm8A	2	0.9953	100	0.09	Contact Map
3k94A	2	0.986	100	0.107	Contact Map
3melA	2	0.9813	100	0.124	Contact Map
3l8mA	5	0.9579	100	0.133	Contact Map
2g9zA	2	0.9813	100	0.14	Contact Map
3s4yA	2	0.9766	100	0.141	Contact Map
3cq9A	2	0.972	100	0.143	Contact Map
3ihkA	3	0.9533	100	0.151	Contact Map
1ig0A	2	0.9953	100	0.153	Contact Map
2omkA	2	0.9299	100	0.216	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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