THIL - HALSA - GREMLIN Contacts

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THIL - Thiamine-monophosphate kinase

UniProt:	Q9HNP1	Sequences: MDERAALELVGGLVSRAGDDAAVVGDTALTIDMLHDATDFPSGTTRYTAGWRSVGASLSDVAATGATATAAVAAYGAPGFDDDELAAFVTGARDVCTAVGAEYVGGDLDGHSEFTVATAAIGDADHRVTRSGARPGDSVVVTGSLGRSAAAMALFDAGDTERANDLFQFMPRVAAGRVLGAHATAMMDASDGLARSLHQLAAASDCGMAVDSGRLPVADALAEVTADPVERAVSFGGDFELVAAVPPERVEAARAAVPGSLSVVGRVTAAADGVRLDGDALADDGWTH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	288 (255)
Sequences:	14656 (9151)
Seq/√Len:	573.0

ECOLI - THIL HYPE SELD
BACSU - THIL PURL
HALSA - THIL Q9HSM1
SULSO - Q980P9 Q97VC5 Q7LY06 PURL

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
138_S	263_V	3.689	1.00
209_A	266_R	3.054	1.00
209_A	268_T	2.980	1.00
135_P	269_A	2.578	1.00
137_D	184_T	2.542	1.00
182_H	249_R	2.485	1.00
211_D	214_R	2.471	1.00
138_S	266_R	2.464	1.00
47_Y	87_A	2.439	1.00
140_V	263_V	2.387	1.00
201_A	208_M	2.378	1.00
138_S	250_V	2.334	1.00
245_V	253_A	2.318	1.00
47_Y	94_D	2.310	1.00
139_V	244_A	2.297	1.00
184_T	246_P	2.294	1.00
249_R	252_A	2.282	1.00
87_A	90_T	2.280	1.00
206_C	267_V	2.257	1.00
93_R	97_T	2.203	1.00
28_A	66_A	2.177	1.00
197_L	208_M	2.091	1.00
207_G	268_T	2.084	1.00
138_S	247_P	2.076	1.00
246_P	249_R	2.024	1.00
250_V	254_R	1.979	1.00
140_V	245_V	1.975	1.00
47_Y	90_T	1.968	1.00
140_V	261_L	1.958	1.00
140_V	254_R	1.908	1.00
250_V	263_V	1.880	1.00
139_V	208_M	1.842	1.00
51_W	95_V	1.840	1.00
207_G	270_A	1.815	1.00
69_T	123_D	1.809	1.00
197_L	210_V	1.804	1.00
61_V	66_A	1.799	1.00
184_T	244_A	1.792	1.00
46_R	114_F	1.750	1.00
135_P	206_C	1.736	1.00
247_P	266_R	1.699	1.00
30_T	120_A	1.685	1.00
200_L	244_A	1.671	1.00
29_L	72_V	1.651	1.00
254_R	261_L	1.621	1.00
140_V	250_V	1.549	1.00
90_T	94_D	1.546	1.00
263_V	266_R	1.533	1.00
186_M	243_A	1.531	1.00
94_D	97_T	1.521	1.00
23_V	28_A	1.513	1.00
208_M	267_V	1.507	1.00
73_A	92_A	1.498	1.00
133_A	267_V	1.471	1.00
197_L	242_V	1.471	1.00
48_T	168_Q	1.457	1.00
94_D	98_A	1.456	1.00
133_A	185_A	1.449	1.00
185_A	200_L	1.433	1.00
172_R	240_E	1.429	1.00
95_V	98_A	1.426	1.00
134_R	246_P	1.417	1.00
133_A	244_A	1.417	1.00
31_I	74_A	1.407	1.00
48_T	51_W	1.407	1.00
137_D	267_V	1.404	1.00
134_R	184_T	1.403	1.00
137_D	246_P	1.394	1.00
14_V	26_D	1.392	1.00
75_Y	85_L	1.389	1.00
21_A	64_T	1.379	1.00
72_V	105_G	1.374	1.00
48_T	91_G	1.368	1.00
63_A	186_M	1.366	1.00
207_G	271_A	1.354	1.00
46_R	84_E	1.342	1.00
70_A	104_V	1.339	1.00
25_G	123_D	1.334	1.00
147_R	155_F	1.331	1.00
67_T	177_R	1.329	1.00
244_A	267_V	1.319	1.00
239_F	264_V	1.317	1.00
189_A	242_V	1.314	1.00
128_V	186_M	1.312	1.00
165_D	168_Q	1.311	1.00
186_M	241_L	1.310	1.00
165_D	169_F	1.269	1.00
54_V	71_A	1.268	1.00
175_A	178_V	1.267	1.00
147_R	218_A	1.265	1.00
54_V	92_A	1.259	1.00
251_E	254_R	1.254	1.00
22_A	104_V	1.250	1.00
189_A	196_S	1.217	1.00
31_I	119_A	1.212	1.00
57_S	118_T	1.210	1.00
254_R	263_V	1.206	1.00
53_S	116_V	1.199	1.00
61_V	120_A	1.187	1.00
29_L	119_A	1.171	1.00
138_S	245_V	1.163	1.00
211_D	266_R	1.153	1.00
51_W	98_A	1.152	1.00
139_V	242_V	1.146	1.00
12_G	24_V	1.145	1.00
21_A	28_A	1.137	1.00
29_L	121_I	1.135	1.00
137_D	244_A	1.123	1.00
185_A	244_A	1.122	1.00
26_D	127_R	1.120	1.00
144_S	147_R	1.114	1.00
42_S	113_E	1.113	1.00
55_G	95_V	1.101	1.00
96_C	103_Y	1.092	1.00
187_M	199_Q	1.074	1.00
77_A	85_L	1.072	1.00
58_L	101_A	1.067	1.00
126_H	180_G	1.063	1.00
57_S	120_A	1.059	1.00
33_M	117_A	1.058	1.00
142_T	175_A	1.051	1.00
81_D	84_E	1.039	1.00
67_T	123_D	1.035	1.00
140_V	253_A	1.033	1.00
33_M	74_A	1.033	1.00
129_T	133_A	1.024	1.00
251_E	255_A	1.020	1.00
124_A	127_R	1.015	1.00
111_H	115_T	1.013	1.00
45_T	48_T	1.012	1.00
207_G	273_G	0.998	1.00
181_A	253_A	0.996	1.00
76_G	111_H	0.996	1.00
30_T	61_V	0.993	1.00
71_A	120_A	0.992	1.00
129_T	132_G	0.985	1.00
50_G	91_G	0.981	1.00
23_V	127_R	0.974	1.00
19_D	64_T	0.972	1.00
149_A	235_F	0.965	1.00
62_A	173_V	0.961	1.00
252_A	256_A	0.957	1.00
230_E	235_F	0.951	1.00
166_L	169_F	0.950	1.00
133_A	200_L	0.948	1.00
175_A	179_L	0.947	1.00
54_V	96_C	0.945	1.00
70_A	102_E	0.941	1.00
142_T	243_A	0.940	1.00
209_A	212_S	0.937	1.00
144_S	260_S	0.936	1.00
193_L	242_V	0.931	1.00
51_W	94_D	0.930	1.00
136_G	266_R	0.922	1.00
43_G	163_A	0.922	1.00
217_V	222_A	0.918	1.00
170_M	174_A	0.918	1.00
15_S	129_T	0.908	1.00
187_M	242_V	0.904	1.00
96_C	101_A	0.899	1.00
83_D	87_A	0.897	1.00
71_A	118_T	0.892	1.00
132_G	184_T	0.886	1.00
126_H	181_A	0.881	1.00
26_D	124_A	0.880	1.00
135_P	268_T	0.879	1.00
181_A	249_R	0.878	1.00
153_A	156_D	0.877	1.00
50_G	88_F	0.877	1.00
54_V	58_L	0.875	1.00
133_A	204_S	0.873	1.00
13_L	102_E	0.864	1.00
197_L	201_A	0.864	1.00
84_E	88_F	0.863	1.00
77_A	88_F	0.863	1.00
51_W	55_G	0.857	1.00
67_T	174_A	0.855	1.00
160_T	168_Q	0.855	1.00
71_A	96_C	0.850	1.00
216_P	262_S	0.848	1.00
71_A	92_A	0.835	1.00
173_V	177_R	0.834	1.00
160_T	164_N	0.831	1.00
135_P	138_S	0.828	1.00
58_L	95_V	0.828	1.00
142_T	241_L	0.827	1.00
92_A	116_V	0.826	1.00
62_A	177_R	0.825	1.00
160_T	165_D	0.823	1.00
228_P	231_R	0.822	1.00
134_R	137_D	0.820	1.00
245_V	250_V	0.820	1.00
169_F	173_V	0.816	1.00
171_P	174_A	0.815	1.00
152_M	155_F	0.814	1.00
28_A	61_V	0.812	1.00
171_P	259_G	0.807	1.00
182_H	252_A	0.806	1.00
149_A	152_M	0.803	1.00
201_A	267_V	0.801	1.00
164_N	167_F	0.800	1.00
88_F	116_V	0.797	1.00
67_T	180_G	0.792	1.00
207_G	272_D	0.792	1.00
163_A	167_F	0.788	1.00
63_A	241_L	0.787	1.00
178_V	256_A	0.786	1.00
228_P	232_A	0.786	1.00
74_A	117_A	0.784	1.00
243_A	253_A	0.781	1.00
179_L	253_A	0.774	1.00
33_M	76_G	0.773	1.00
45_T	164_N	0.768	1.00
162_R	166_L	0.767	1.00
24_V	70_A	0.767	1.00
20_D	187_M	0.766	1.00
98_A	170_M	0.762	1.00
195_R	199_Q	0.760	1.00
76_G	109_D	0.759	1.00
70_A	121_I	0.753	1.00
161_E	164_N	0.753	1.00
13_L	16_R	0.753	1.00
99_V	172_R	0.751	1.00
270_A	273_G	0.750	1.00
128_V	183_A	0.747	1.00
189_A	193_L	0.746	1.00
196_S	242_V	0.746	1.00
37_A	113_E	0.743	1.00
170_M	173_V	0.742	1.00
34_L	56_A	0.741	1.00
82_D	86_A	0.734	1.00
205_D	270_A	0.731	1.00
86_A	90_T	0.731	1.00
67_T	100_G	0.728	1.00
23_V	64_T	0.728	1.00
147_R	152_M	0.724	1.00
176_G	179_L	0.721	1.00
168_Q	171_P	0.713	1.00
139_V	267_V	0.712	1.00
50_G	92_A	0.712	1.00
132_G	139_V	0.712	1.00
227_D	230_E	0.709	1.00
80_F	84_E	0.708	1.00
110_G	113_E	0.706	1.00
47_Y	91_G	0.705	1.00
250_V	253_A	0.701	1.00
229_V	232_A	0.700	1.00
140_V	243_A	0.700	1.00
167_F	171_P	0.699	1.00
139_V	143_G	0.699	1.00
193_L	197_L	0.697	1.00
145_L	168_Q	0.697	1.00
58_L	99_V	0.695	1.00
42_S	84_E	0.694	1.00
177_R	180_G	0.694	1.00
201_A	204_S	0.691	1.00
54_V	95_V	0.691	1.00
51_W	168_Q	0.691	1.00
45_T	87_A	0.690	1.00
80_F	85_L	0.687	1.00
148_S	166_L	0.684	1.00
162_R	165_D	0.682	1.00
84_E	87_A	0.682	1.00
232_A	235_F	0.680	1.00
76_G	115_T	0.678	1.00
172_R	241_L	0.677	1.00
19_D	130_R	0.673	1.00
72_V	104_V	0.672	1.00
141_V	239_F	0.672	1.00
13_L	104_V	0.671	1.00
189_A	240_E	0.670	1.00
34_L	53_S	0.668	1.00
164_N	168_Q	0.666	1.00
75_Y	116_V	0.666	1.00
23_V	26_D	0.664	1.00
152_M	156_D	0.663	1.00
176_G	241_L	0.663	1.00
88_F	92_A	0.662	1.00
150_A	221_L	0.661	1.00
174_A	178_V	0.656	1.00
73_A	89_V	0.650	1.00
235_F	238_D	0.649	1.00
149_A	153_A	0.648	1.00
26_D	125_D	0.644	1.00
187_M	200_L	0.644	1.00
33_M	115_T	0.641	1.00
55_G	239_F	0.631	1.00
181_A	256_A	0.630	1.00
269_A	272_D	0.630	1.00
247_P	250_V	0.627	1.00
60_D	188_D	0.625	1.00
72_V	119_A	0.624	1.00
29_L	70_A	0.623	1.00
252_A	255_A	0.622	1.00
173_V	176_G	0.621	1.00
214_R	262_S	0.619	1.00
31_I	72_V	0.614	1.00
90_T	93_R	0.613	1.00
143_G	262_S	0.609	1.00
232_A	236_G	0.609	1.00
188_D	199_Q	0.607	1.00
71_A	103_Y	0.607	1.00
160_T	163_A	0.607	1.00
143_G	260_S	0.606	1.00
145_L	148_S	0.605	1.00
181_A	252_A	0.605	1.00
58_L	120_A	0.604	1.00
138_S	248_E	0.600	1.00
195_R	234_S	0.599	1.00
216_P	222_A	0.597	1.00
36_D	42_S	0.596	1.00
136_G	247_P	0.593	1.00
53_S	118_T	0.591	1.00
130_R	203_A	0.590	1.00
31_I	117_A	0.589	1.00
15_S	23_V	0.586	1.00
198_H	202_A	0.586	1.00
91_G	95_V	0.585	1.00
257_V	261_L	0.583	1.00
119_A	122_G	0.583	1.00
12_G	67_T	0.580	1.00
83_D	86_A	0.580	1.00
162_R	169_F	0.578	1.00
77_A	84_E	0.577	1.00
128_V	132_G	0.577	1.00
193_L	264_V	0.575	1.00
68_A	101_A	0.569	0.99
164_N	169_F	0.569	0.99
141_V	145_L	0.567	0.99
149_A	231_R	0.567	0.99
141_V	189_A	0.566	0.99
133_A	206_C	0.563	0.99
268_T	271_A	0.560	0.99
141_V	216_P	0.560	0.99
251_E	263_V	0.559	0.99
71_A	101_A	0.558	0.99
169_F	172_R	0.556	0.99
182_H	246_P	0.555	0.99
148_S	236_G	0.553	0.99
260_S	263_V	0.551	0.99
163_A	166_L	0.550	0.99
139_V	210_V	0.549	0.99
201_A	207_G	0.545	0.99
51_W	166_L	0.545	0.99
195_R	198_H	0.543	0.99
72_V	117_A	0.542	0.99
28_A	124_A	0.541	0.99
196_S	199_Q	0.540	0.99
24_V	104_V	0.539	0.99
127_R	130_R	0.537	0.99
184_T	249_R	0.537	0.99
21_A	63_A	0.535	0.99
212_S	230_E	0.534	0.99
38_T	88_F	0.534	0.99
49_A	88_F	0.533	0.99
206_C	209_A	0.532	0.99
139_V	200_L	0.529	0.99
176_G	243_A	0.528	0.99
44_T	49_A	0.525	0.99
24_V	29_L	0.524	0.99
30_T	57_S	0.523	0.99
32_D	60_D	0.522	0.99
206_C	269_A	0.521	0.99
131_S	203_A	0.519	0.99
59_S	239_F	0.519	0.99
133_A	184_T	0.518	0.99
231_R	235_F	0.517	0.99
229_V	233_V	0.516	0.99
92_A	95_V	0.516	0.99
79_G	110_G	0.516	0.99
92_A	118_T	0.516	0.99
233_V	236_G	0.514	0.99
46_R	87_A	0.512	0.99
72_V	121_I	0.511	0.99
219_D	222_A	0.510	0.99
151_A	154_L	0.508	0.99
60_D	190_S	0.508	0.99
92_A	103_Y	0.508	0.99
73_A	103_Y	0.505	0.99
227_D	231_R	0.504	0.99
139_V	197_L	0.501	0.99
214_R	263_V	0.500	0.99

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
3mcqA	2	0.9722	100	0.217	Contact Map
3c9uA	2	0.9688	100	0.223	Contact Map
2yxzA	2	0.9618	100	0.234	Contact Map
3m84A	2	0.9479	100	0.307	Contact Map
2z01A	2	0.9201	100	0.307	Contact Map
3vtiC	2	0.9722	100	0.312	Contact Map
2btuA	2	0.9479	100	0.319	Contact Map
2zodA	2	0.9306	100	0.328	Contact Map
2z1uA	2	0.9861	100	0.332	Contact Map
3p4eA	2	0.9306	100	0.337	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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