THIE - BACSU - GREMLIN Contacts

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THIE - Thiamine-phosphate synthase

UniProt:	P39594	Sequences: MTRISREMMKELLSVYFIMGSNNTKADPVTVVQKALKGGATLYQFREKGGDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGDMILGVSAHTMSEVKQAEEDGADYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYKTGR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	222 (197)
Sequences:	5319 (3962)
Seq/√Len:	282.3

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
145_T	195_I	2.921	1.00
59_I	87_N	2.756	1.00
89_K	112_M	2.560	1.00
205_E	209_R	2.473	1.00
62_A	88_L	2.302	1.00
29_V	64_K	2.290	1.00
66_Q	70_R	2.262	1.00
51_D	57_A	2.179	1.00
36_L	74_V	2.136	1.00
178_I	210_K	2.127	1.00
109_I	112_M	2.106	1.00
33_Q	37_K	2.094	1.00
126_Q	130_D	2.076	1.00
181_A	192_V	2.059	1.00
203_D	206_S	2.050	1.00
52_A	81_D	2.046	1.00
33_Q	71_E	2.023	1.00
109_I	114_L	1.986	1.00
128_E	167_S	1.978	1.00
37_K	205_E	1.905	1.00
141_Y	180_N	1.895	1.00
97_Q	123_E	1.850	1.00
36_L	68_A	1.849	1.00
162_R	190_D	1.837	1.00
95_I	105_V	1.803	1.00
70_R	91_D	1.800	1.00
104_E	107_A	1.795	1.00
182_A	214_E	1.789	1.00
162_R	170_I	1.784	1.00
141_Y	183_P	1.738	1.00
17_F	199_S	1.710	1.00
32_V	65_A	1.677	1.00
140_I	158_I	1.672	1.00
69_C	76_F	1.660	1.00
59_I	63_E	1.658	1.00
206_S	210_K	1.648	1.00
17_F	198_I	1.600	1.00
36_L	72_A	1.584	1.00
119_H	123_E	1.572	1.00
139_P	152_V	1.546	1.00
17_F	40_A	1.534	1.00
38_G	205_E	1.530	1.00
197_A	211_F	1.513	1.00
138_G	173_I	1.496	1.00
115_G	134_Y	1.445	1.00
121_M	125_K	1.440	1.00
34_K	205_E	1.401	1.00
38_G	208_A	1.394	1.00
128_E	168_I	1.390	1.00
106_R	110_G	1.382	1.00
59_I	88_L	1.377	1.00
47_E	50_G	1.371	1.00
125_K	128_E	1.346	1.00
177_T	180_N	1.344	1.00
102_A	116_V	1.342	1.00
66_Q	91_D	1.340	1.00
58_R	81_D	1.335	1.00
201_A	207_A	1.328	1.00
37_K	72_A	1.324	1.00
66_Q	76_F	1.300	1.00
66_Q	69_C	1.299	1.00
93_I	114_L	1.295	1.00
178_I	211_F	1.294	1.00
36_L	69_C	1.288	1.00
101_N	104_E	1.285	1.00
96_G	99_D	1.278	1.00
116_V	132_A	1.269	1.00
82_V	93_I	1.263	1.00
103_K	130_D	1.261	1.00
42_L	77_I	1.255	1.00
59_I	84_L	1.227	1.00
41_T	212_R	1.209	1.00
40_A	43_Y	1.203	1.00
45_F	76_F	1.199	1.00
60_K	64_K	1.184	1.00
33_Q	68_A	1.182	1.00
44_Q	79_N	1.182	1.00
45_F	58_R	1.178	1.00
183_P	186_Q	1.177	1.00
124_V	161_V	1.176	1.00
207_A	210_K	1.174	1.00
29_V	68_A	1.165	1.00
19_M	43_Y	1.163	1.00
64_K	67_A	1.160	1.00
153_Q	157_L	1.155	1.00
124_V	166_I	1.139	1.00
181_A	214_E	1.125	1.00
45_F	61_F	1.115	1.00
21_S	47_E	1.115	1.00
185_I	215_I	1.112	1.00
60_K	63_E	1.103	1.00
120_T	123_E	1.091	1.00
33_Q	72_A	1.091	1.00
206_S	209_R	1.090	1.00
57_A	60_K	1.081	1.00
142_P	152_V	1.080	1.00
137_L	170_I	1.063	1.00
20_G	23_N	1.057	1.00
198_I	208_A	1.056	1.00
157_L	160_A	1.049	1.00
144_E	196_S	1.045	1.00
86_L	108_A	1.038	1.00
121_M	160_A	1.038	1.00
209_R	213_E	1.033	1.00
81_D	84_L	1.031	1.00
125_K	129_E	1.029	1.00
66_Q	88_L	1.029	1.00
171_V	191_G	1.022	1.00
32_V	43_Y	1.021	1.00
197_A	207_A	1.016	1.00
121_M	161_V	1.011	1.00
95_I	116_V	1.008	1.00
126_Q	129_E	1.007	1.00
156_S	160_A	0.990	1.00
102_A	132_A	0.973	1.00
47_E	61_F	0.972	1.00
41_T	74_V	0.967	1.00
140_I	172_G	0.960	1.00
27_D	31_V	0.957	1.00
105_V	109_I	0.957	1.00
158_I	162_R	0.955	1.00
154_G	157_L	0.950	1.00
159_E	187_A	0.948	1.00
30_T	34_K	0.947	1.00
56_E	60_K	0.936	1.00
68_A	72_A	0.932	1.00
118_A	124_V	0.929	1.00
28_P	32_V	0.929	1.00
26_A	30_T	0.926	1.00
156_S	159_E	0.924	1.00
97_Q	116_V	0.920	1.00
94_H	134_Y	0.912	1.00
158_I	172_G	0.908	1.00
67_A	71_E	0.907	1.00
45_F	62_A	0.905	1.00
210_K	214_E	0.903	1.00
184_V	189_A	0.892	1.00
208_A	212_R	0.892	1.00
18_I	173_I	0.889	1.00
18_I	195_I	0.889	1.00
57_A	61_F	0.885	1.00
125_K	165_G	0.882	1.00
122_S	125_K	0.876	1.00
51_D	56_E	0.874	1.00
16_Y	44_Q	0.873	1.00
67_A	70_R	0.871	1.00
155_V	187_A	0.865	1.00
62_A	78_V	0.844	1.00
196_S	200_Q	0.842	1.00
137_L	161_V	0.836	1.00
50_G	58_R	0.836	1.00
159_E	164_Q	0.835	1.00
77_I	92_G	0.834	1.00
181_A	185_I	0.832	1.00
52_A	100_A	0.826	1.00
177_T	196_S	0.826	1.00
78_V	90_A	0.822	1.00
31_V	199_S	0.822	1.00
50_G	57_A	0.820	1.00
140_I	155_V	0.818	1.00
194_M	211_F	0.815	0.99
102_A	114_L	0.814	0.99
65_A	76_F	0.813	0.99
40_A	208_A	0.806	0.99
19_M	32_V	0.802	0.99
182_A	186_Q	0.799	0.99
176_I	184_V	0.797	0.99
121_M	165_G	0.797	0.99
91_D	113_I	0.790	0.99
124_V	135_V	0.790	0.99
177_T	197_A	0.790	0.99
83_E	87_N	0.786	0.99
40_A	198_I	0.783	0.99
155_V	184_V	0.781	0.99
16_Y	171_V	0.780	0.99
100_A	108_A	0.769	0.99
17_F	35_A	0.768	0.99
137_L	157_L	0.767	0.99
52_A	87_N	0.766	0.99
15_V	215_I	0.759	0.99
116_V	130_D	0.758	0.99
128_E	131_G	0.758	0.99
77_I	113_I	0.752	0.99
194_M	198_I	0.750	0.99
80_D	96_G	0.750	0.99
84_L	88_L	0.745	0.99
58_R	84_L	0.745	0.99
198_I	207_A	0.743	0.99
118_A	127_A	0.742	0.99
155_V	183_P	0.740	0.99
35_A	198_I	0.738	0.99
58_R	79_N	0.733	0.99
83_E	86_L	0.732	0.99
135_V	170_I	0.727	0.99
122_S	126_Q	0.725	0.99
14_S	212_R	0.717	0.99
62_A	90_A	0.715	0.99
178_I	207_A	0.706	0.99
176_I	180_N	0.701	0.98
101_N	126_Q	0.697	0.98
80_D	99_D	0.697	0.98
63_E	88_L	0.696	0.98
95_I	114_L	0.696	0.98
21_S	49_G	0.695	0.98
170_I	190_D	0.689	0.98
48_K	146_K	0.685	0.98
30_T	33_Q	0.682	0.98
180_N	184_V	0.682	0.98
35_A	38_G	0.680	0.98
69_C	72_A	0.678	0.98
93_I	105_V	0.668	0.98
29_V	61_F	0.667	0.98
52_A	83_E	0.666	0.98
210_K	213_E	0.659	0.98
27_D	30_T	0.657	0.98
36_L	43_Y	0.656	0.98
18_I	193_S	0.655	0.98
34_K	37_K	0.654	0.98
106_R	114_L	0.654	0.98
128_E	166_I	0.653	0.98
22_N	49_G	0.649	0.97
106_R	133_D	0.646	0.97
136_G	173_I	0.645	0.97
15_V	212_R	0.641	0.97
33_Q	64_K	0.637	0.97
24_T	31_V	0.635	0.97
29_V	65_A	0.626	0.97
125_K	166_I	0.619	0.97
34_K	38_G	0.616	0.97
137_L	153_Q	0.615	0.97
172_G	189_A	0.610	0.96
19_M	28_P	0.608	0.96
204_P	207_A	0.607	0.96
63_E	66_Q	0.606	0.96
44_Q	136_G	0.604	0.96
76_F	91_D	0.599	0.96
100_A	104_E	0.597	0.96
171_V	190_D	0.596	0.96
118_A	123_E	0.596	0.96
21_S	61_F	0.592	0.96
17_F	43_Y	0.592	0.96
143_T	196_S	0.588	0.96
23_N	200_Q	0.588	0.96
207_A	211_F	0.587	0.95
41_T	191_G	0.585	0.95
96_G	146_K	0.583	0.95
41_T	75_P	0.581	0.95
113_I	134_Y	0.581	0.95
87_N	104_E	0.580	0.95
162_R	187_A	0.579	0.95
131_G	168_I	0.578	0.95
178_I	181_A	0.577	0.95
148_D	151_A	0.575	0.95
192_V	215_I	0.573	0.95
48_K	96_G	0.569	0.95
20_G	47_E	0.568	0.95
158_I	189_A	0.568	0.95
49_G	147_K	0.562	0.94
69_C	74_V	0.560	0.94
102_A	130_D	0.559	0.94
160_A	165_G	0.559	0.94
34_K	203_D	0.556	0.94
84_L	87_N	0.556	0.94
66_Q	90_A	0.553	0.94
46_R	146_K	0.552	0.94
14_S	41_T	0.552	0.94
140_I	184_V	0.551	0.94
48_K	80_D	0.551	0.94
42_L	75_P	0.549	0.94
139_P	151_A	0.548	0.94
43_Y	69_C	0.548	0.94
26_A	31_V	0.546	0.93
77_I	112_M	0.546	0.93
34_K	204_P	0.546	0.93
140_I	154_G	0.544	0.93
47_E	58_R	0.540	0.93
66_Q	89_K	0.540	0.93
160_A	164_Q	0.536	0.93
82_V	105_V	0.531	0.92
45_F	65_A	0.530	0.92
48_K	79_N	0.526	0.92
28_P	47_E	0.525	0.92
45_F	78_V	0.525	0.92
127_A	131_G	0.524	0.92
103_K	107_A	0.524	0.92
21_S	24_T	0.520	0.92
158_I	187_A	0.519	0.92
148_D	152_V	0.516	0.91
143_T	154_G	0.516	0.91
97_Q	119_H	0.513	0.91
135_V	168_I	0.508	0.91
16_Y	42_L	0.507	0.91
139_P	149_T	0.506	0.91
29_V	32_V	0.505	0.90
95_I	102_A	0.503	0.90
25_K	200_Q	0.500	0.90

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	0.9505	100	0.325	Contact Map
3o63A	2	0.9189	100	0.421	Contact Map
2tpsA	1	0.9865	100	0.435	Contact Map
1twdA	2	0.8829	100	0.442	Contact Map
3ceuA	1	0.8468	100	0.447	Contact Map
1yadA	2	0.8694	100	0.456	Contact Map
2yw3A	4	0.8784	100	0.469	Contact Map
1xi3A	2	0.9099	100	0.472	Contact Map
4wuiA	1	0.8694	100	0.478	Contact Map
2bdqA	2	0.7883	100	0.515	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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