THIE - ECOLI - GREMLIN Contacts

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THIE - Thiamine-phosphate synthase

UniProt:	P30137	Sequences: MYQPDFPPVPFRSGLYPVVDSVQWIERLLDAGVRTLQLRIKDRRDEEVEADVVAAIALGRRYNARLFINDYWRLAIKHQAYGVHLGQEDLQATDLNAIRAAGLRLGVSTHDDMEIDVALAARPSYIALGHVFPTQTKQMPSAPQGLEQLARHVERLADYPTVAIGGISLARAPAVIATGVGSIAVVSAITQAADWRLATAQLLEIAGVGDE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11586
Length:	211 (191)
Sequences:	5409 (4045)
Seq/√Len:	292.7

ECOLI - THIE
BACSU - THIE TENI

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
49_E	77_K	2.778	1.00
136_T	186_V	2.696	1.00
79_Q	103_L	2.434	1.00
196_R	200_A	2.409	1.00
52_V	78_H	2.217	1.00
22_V	54_A	2.192	1.00
45_D	71_Y	2.190	1.00
44_R	47_E	2.164	1.00
56_I	60_R	2.146	1.00
29_L	64_A	2.105	1.00
117_V	121_A	2.081	1.00
172_A	183_I	2.068	1.00
169_L	201_Q	2.048	1.00
194_D	197_L	2.032	1.00
99_R	103_L	1.922	1.00
26_E	30_D	1.901	1.00
87_Q	114_E	1.868	1.00
132_F	171_R	1.826	1.00
26_E	61_R	1.825	1.00
99_R	105_L	1.824	1.00
30_D	196_R	1.815	1.00
173_P	205_I	1.814	1.00
85_L	95_L	1.775	1.00
153_V	181_G	1.767	1.00
29_L	58_L	1.766	1.00
119_L	158_D	1.763	1.00
17_P	190_T	1.723	1.00
17_P	189_I	1.697	1.00
132_F	174_A	1.680	1.00
131_V	149_L	1.672	1.00
94_D	97_A	1.665	1.00
60_R	81_Y	1.650	1.00
153_V	161_T	1.648	1.00
49_E	53_V	1.643	1.00
59_G	66_L	1.597	1.00
25_I	55_A	1.586	1.00
130_H	143_P	1.563	1.00
110_H	114_E	1.547	1.00
129_G	164_I	1.543	1.00
197_L	201_Q	1.542	1.00
17_P	33_V	1.536	1.00
29_L	62_Y	1.515	1.00
112_D	116_D	1.496	1.00
188_A	202_L	1.475	1.00
106_G	125_Y	1.444	1.00
31_A	196_R	1.435	1.00
40_I	43_R	1.419	1.00
119_L	159_Y	1.410	1.00
116_D	119_L	1.375	1.00
49_E	78_H	1.372	1.00
168_S	171_R	1.346	1.00
116_D	155_R	1.346	1.00
30_D	62_Y	1.344	1.00
31_A	199_T	1.341	1.00
27_R	196_R	1.313	1.00
56_I	66_L	1.300	1.00
56_I	59_G	1.290	1.00
48_V	71_Y	1.288	1.00
86_G	89_D	1.276	1.00
35_T	67_F	1.273	1.00
91_Q	94_D	1.272	1.00
192_A	198_A	1.271	1.00
169_L	202_L	1.256	1.00
107_V	123_P	1.245	1.00
56_I	81_Y	1.243	1.00
19_V	36_L	1.243	1.00
92_A	107_V	1.231	1.00
34_R	203_L	1.222	1.00
72_W	83_V	1.214	1.00
49_E	74_L	1.205	1.00
83_V	105_L	1.204	1.00
96_N	100_A	1.200	1.00
111_D	114_E	1.195	1.00
29_L	59_G	1.191	1.00
33_V	36_L	1.184	1.00
21_S	40_I	1.165	1.00
198_A	201_Q	1.164	1.00
50_A	54_A	1.164	1.00
100_A	103_L	1.162	1.00
38_L	51_D	1.140	1.00
115_I	152_H	1.134	1.00
26_E	62_Y	1.134	1.00
151_R	155_R	1.133	1.00
144_Q	148_Q	1.129	1.00
174_A	177_A	1.110	1.00
37_Q	69_N	1.106	1.00
150_A	154_E	1.094	1.00
47_E	50_A	1.094	1.00
54_A	57_A	1.093	1.00
38_L	66_L	1.090	1.00
112_D	151_R	1.088	1.00
26_E	58_L	1.087	1.00
172_A	205_I	1.085	1.00
112_D	155_R	1.075	1.00
93_T	121_A	1.064	1.00
133_P	143_P	1.064	1.00
50_A	53_V	1.063	1.00
135_Q	187_S	1.060	1.00
38_L	48_V	1.059	1.00
197_L	200_A	1.058	1.00
147_E	151_R	1.037	1.00
34_R	64_A	1.036	1.00
116_D	120_A	1.032	1.00
188_A	198_A	1.031	1.00
22_V	58_L	1.027	1.00
128_L	161_T	1.026	1.00
162_V	182_S	1.017	1.00
43_R	47_E	1.009	1.00
145_G	148_Q	1.004	1.00
56_I	78_H	0.993	1.00
40_I	51_D	0.990	1.00
71_Y	74_L	0.986	1.00
189_I	199_T	0.985	1.00
85_L	107_V	0.980	1.00
21_S	51_D	0.976	1.00
23_Q	27_R	0.974	1.00
200_A	204_E	0.970	1.00
43_R	48_V	0.962	1.00
87_Q	107_V	0.953	1.00
147_E	150_A	0.950	1.00
150_A	178_T	0.950	1.00
148_Q	151_R	0.947	1.00
131_V	163_A	0.943	1.00
45_D	77_K	0.936	1.00
24_W	190_T	0.936	1.00
112_D	152_H	0.934	1.00
25_I	36_L	0.931	1.00
58_L	62_Y	0.930	1.00
201_Q	205_I	0.926	1.00
38_L	52_V	0.920	1.00
84_H	125_Y	0.911	1.00
149_L	163_A	0.910	1.00
95_L	99_R	0.906	1.00
175_V	180_V	0.904	1.00
76_I	98_I	0.899	1.00
47_E	51_D	0.896	1.00
109_T	115_I	0.893	1.00
46_E	50_A	0.889	1.00
117_V	120_A	0.888	1.00
115_I	156_L	0.887	1.00
52_V	68_I	0.881	1.00
146_L	178_T	0.881	1.00
113_M	116_D	0.878	1.00
149_L	153_V	0.877	1.00
19_V	25_I	0.871	1.00
45_D	73_R	0.870	1.00
16_Y	37_Q	0.870	1.00
92_A	105_L	0.863	1.00
172_A	176_I	0.858	1.00
128_L	152_H	0.855	1.00
57_A	61_R	0.851	1.00
90_L	98_I	0.849	1.00
57_A	60_R	0.848	1.00
168_S	187_S	0.848	1.00
199_T	203_L	0.846	1.00
156_L	159_Y	0.844	1.00
18_V	186_V	0.843	1.00
168_S	188_A	0.838	1.00
73_R	77_K	0.834	1.00
18_V	164_I	0.833	1.00
187_S	191_Q	0.832	1.00
151_R	154_E	0.826	1.00
74_L	78_H	0.823	1.00
92_A	123_P	0.813	1.00
28_L	31_A	0.812	1.00
185_V	189_I	0.810	1.00
67_F	82_G	0.804	1.00
55_A	66_L	0.801	0.99
68_I	80_A	0.797	0.99
81_Y	104_R	0.795	0.99
16_Y	162_V	0.793	0.99
17_P	28_L	0.793	0.99
131_V	146_L	0.791	0.99
22_V	51_D	0.776	0.99
67_F	104_R	0.773	0.99
146_L	175_V	0.770	0.99
33_V	199_T	0.766	0.99
146_L	174_A	0.766	0.99
70_D	86_G	0.762	0.99
45_D	90_L	0.761	0.99
29_L	36_L	0.757	0.99
59_G	62_Y	0.755	0.99
33_V	189_I	0.754	0.99
167_I	175_V	0.752	0.99
14_G	203_L	0.749	0.99
21_S	42_D	0.748	0.99
23_Q	26_E	0.748	0.99
48_V	69_N	0.746	0.99
128_L	148_Q	0.745	0.99
173_P	177_A	0.745	0.99
189_I	198_A	0.744	0.99
48_V	74_L	0.742	0.99
13_S	182_S	0.738	0.99
115_I	126_I	0.734	0.99
85_L	105_L	0.732	0.99
185_V	202_L	0.732	0.99
73_R	76_I	0.721	0.99
18_V	184_A	0.721	0.99
169_L	198_A	0.718	0.99
161_T	181_G	0.715	0.99
70_D	89_D	0.711	0.99
201_Q	204_E	0.706	0.99
91_Q	117_V	0.703	0.99
113_M	117_V	0.697	0.99
27_R	31_A	0.695	0.99
171_R	175_V	0.686	0.98
109_T	118_A	0.685	0.98
92_A	121_A	0.655	0.98
96_N	99_R	0.653	0.98
83_V	95_L	0.653	0.98
126_I	161_T	0.647	0.98
195_W	198_A	0.644	0.98
41_K	137_K	0.643	0.98
96_N	124_S	0.642	0.98
163_A	180_V	0.639	0.98
153_V	178_T	0.635	0.97
28_L	189_I	0.634	0.97
27_R	30_D	0.634	0.97
127_A	164_I	0.631	0.97
53_V	78_H	0.629	0.97
56_I	80_A	0.626	0.97
126_I	156_L	0.626	0.97
66_L	81_Y	0.625	0.97
17_P	36_L	0.622	0.97
52_V	80_A	0.619	0.97
21_S	43_R	0.614	0.97
20_D	40_I	0.613	0.97
15_L	203_L	0.611	0.97
167_I	171_R	0.611	0.97
128_L	144_Q	0.608	0.97
45_D	48_V	0.601	0.96
104_R	125_Y	0.588	0.96
45_D	74_L	0.587	0.96
107_V	121_A	0.587	0.96
53_V	56_I	0.585	0.96
96_N	105_L	0.585	0.96
149_L	180_V	0.582	0.96
122_R	159_Y	0.582	0.96
131_V	145_G	0.579	0.96
16_Y	35_T	0.579	0.96
34_R	65_R	0.578	0.96
116_D	156_L	0.578	0.96
109_T	114_E	0.576	0.95
90_L	94_D	0.575	0.95
26_E	54_A	0.573	0.95
139_M	142_A	0.572	0.95
38_L	55_A	0.571	0.95
119_L	156_L	0.567	0.95
135_Q	138_Q	0.566	0.95
119_L	122_R	0.564	0.95
37_Q	127_A	0.562	0.95
32_G	64_A	0.561	0.95
130_H	140_P	0.560	0.95
36_L	59_G	0.559	0.95
77_K	94_D	0.558	0.95
169_L	172_A	0.558	0.95
175_V	183_I	0.553	0.94
27_R	195_W	0.551	0.94
162_V	181_G	0.549	0.94
41_K	86_G	0.549	0.94
22_V	55_A	0.547	0.94
146_L	179_G	0.547	0.94
134_T	187_S	0.543	0.94
40_I	48_V	0.543	0.94
41_K	70_D	0.537	0.93
34_R	182_S	0.532	0.93
14_G	34_R	0.530	0.93
72_W	76_I	0.529	0.93
149_L	178_T	0.529	0.93
74_L	77_K	0.526	0.93
130_H	142_A	0.525	0.93
38_L	68_I	0.524	0.93
134_T	145_G	0.524	0.93
67_F	103_L	0.523	0.93
39_R	137_K	0.523	0.93
110_H	140_P	0.522	0.92
139_M	143_P	0.521	0.92
198_A	202_L	0.520	0.92
59_G	64_A	0.520	0.92
176_I	180_V	0.517	0.92
35_T	65_R	0.514	0.92
126_I	159_Y	0.513	0.92
13_S	34_R	0.512	0.92
24_W	195_W	0.511	0.92
118_A	122_R	0.511	0.92
87_Q	110_H	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	0.9668	100	0.313	Contact Map
1twdA	2	0.9242	100	0.412	Contact Map
3o63A	2	0.9336	100	0.422	Contact Map
3ceuA	1	0.8531	100	0.441	Contact Map
1yadA	2	0.8863	100	0.466	Contact Map
1xi3A	2	0.9336	100	0.468	Contact Map
2tpsA	1	0.9953	100	0.471	Contact Map
4wuiA	1	0.9052	100	0.475	Contact Map
2yw3A	4	0.9005	100	0.484	Contact Map
2bdqA	2	0.8389	100	0.49	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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