THIL - BACSU - GREMLIN Contacts

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THIL - Thiamine-monophosphate kinase

UniProt:	O05514	Sequences: MDEFDLIHSITPRTIHHSSVDVGIGDDAALYTAKHGVQEIVCVDTMVEDVHFKLHYSSPEDIGYKALAVNISDIAAMGGIPKFYLVSLAVPSKWTESEIKAMYEGMNELAKLYHMDLIGGDTVSTADKLVVTVTVIGEIEKGQACLRSLAKPNDIVFVTGEIGSSAAGLSLLLEETNPQNSSVETDYFIHRHKRPEPRVSVGRLCSIFKRAALNDVSDGLASELNEIAEASCVSIEIVESMLPIHSDLPKLHPNWKEWALFGGEDFELTGTVSNEEWEVLKQECAALHLPITKIGYVREKTKSKVILKTDQTSMILEKKGYNHFK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	325 (275)
Sequences:	14894 (9488)
Seq/√Len:	572.2

ECOLI - THIL SELD HYPE
BACSU - THIL PURL PUR5
HALSA - THIL Q9HSM1 PURL
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
155_I	293_K	3.411	1.00
236_E	296_Y	2.979	1.00
236_E	298_R	2.872	1.00
272_V	280_L	2.679	1.00
276_E	279_V	2.647	1.00
152_P	299_E	2.551	1.00
154_D	211_A	2.496	1.00
155_I	277_W	2.387	1.00
238_V	241_M	2.375	1.00
155_I	296_Y	2.365	1.00
60_E	108_E	2.341	1.00
60_E	101_A	2.308	1.00
101_A	104_E	2.296	1.00
157_F	293_K	2.296	1.00
228_A	235_I	2.230	1.00
156_V	271_T	2.219	1.00
40_I	79_G	2.217	1.00
233_V	297_V	2.166	1.00
157_F	281_K	2.131	1.00
211_A	273_S	2.125	1.00
107_N	111_K	2.075	1.00
277_W	293_K	2.003	1.00
224_L	235_I	1.949	1.00
155_I	274_N	1.944	1.00
234_S	298_R	1.922	1.00
273_S	276_E	1.904	1.00
157_F	272_V	1.901	1.00
157_F	291_I	1.861	1.00
224_L	237_I	1.860	1.00
281_K	291_I	1.854	1.00
60_E	104_E	1.845	1.00
70_N	135_V	1.826	1.00
64_Y	109_L	1.819	1.00
277_W	281_K	1.808	1.00
32_T	141_K	1.806	1.00
59_P	129_L	1.798	1.00
274_N	296_Y	1.763	1.00
74_I	79_G	1.751	1.00
211_A	271_T	1.740	1.00
234_S	300_K	1.738	1.00
157_F	277_W	1.735	1.00
152_P	233_V	1.721	1.00
227_I	271_T	1.697	1.00
42_C	135_V	1.696	1.00
207_I	283_E	1.685	1.00
82_K	138_E	1.665	1.00
209_K	276_E	1.629	1.00
156_V	235_I	1.612	1.00
278_E	282_Q	1.588	1.00
234_S	303_S	1.587	1.00
41_V	85_L	1.571	1.00
108_E	111_K	1.552	1.00
36_G	141_K	1.547	1.00
151_K	273_S	1.522	1.00
235_I	297_V	1.509	1.00
284_C	291_I	1.504	1.00
201_V	205_C	1.488	1.00
279_V	282_Q	1.484	1.00
104_E	108_E	1.483	1.00
150_A	212_A	1.479	1.00
38_Q	141_K	1.478	1.00
293_K	296_Y	1.472	1.00
150_A	297_V	1.455	1.00
154_D	273_S	1.452	1.00
224_L	269_T	1.449	1.00
282_Q	286_A	1.441	1.00
213_L	270_G	1.438	1.00
108_E	112_L	1.430	1.00
154_D	297_V	1.405	1.00
61_D	194_R	1.402	1.00
21_D	38_Q	1.398	1.00
30_L	40_I	1.398	1.00
198_R	267_E	1.398	1.00
85_L	119_G	1.387	1.00
164_S	172_L	1.385	1.00
109_L	112_L	1.377	1.00
143_Q	206_S	1.373	1.00
139_I	144_A	1.368	1.00
150_A	271_T	1.362	1.00
28_A	77_M	1.356	1.00
74_I	135_V	1.356	1.00
212_A	227_I	1.352	1.00
80_I	206_S	1.345	1.00
61_D	105_G	1.329	1.00
145_C	213_L	1.328	1.00
151_K	211_A	1.325	1.00
95_T	98_E	1.307	1.00
61_D	64_Y	1.307	1.00
157_F	280_L	1.307	1.00
216_V	269_T	1.288	1.00
29_A	118_I	1.286	1.00
271_T	297_V	1.279	1.00
86_V	106_M	1.277	1.00
88_L	99_I	1.273	1.00
36_G	142_G	1.263	1.00
43_V	87_S	1.262	1.00
83_F	118_I	1.262	1.00
76_A	213_L	1.260	1.00
278_E	281_K	1.256	1.00
45_T	132_T	1.250	1.00
34_K	138_E	1.246	1.00
202_G	206_S	1.245	1.00
266_F	294_I	1.244	1.00
200_S	203_R	1.242	1.00
67_L	106_M	1.230	1.00
281_K	293_K	1.222	1.00
279_V	283_E	1.222	1.00
283_E	287_L	1.220	1.00
67_L	84_Y	1.219	1.00
66_A	131_V	1.211	1.00
164_S	245_H	1.210	1.00
213_L	268_L	1.208	1.00
41_V	136_I	1.194	1.00
234_S	301_T	1.191	1.00
281_K	285_A	1.187	1.00
239_E	255_W	1.164	1.00
156_V	160_G	1.158	1.00
43_V	134_T	1.151	1.00
216_V	223_E	1.134	1.00
64_Y	112_L	1.129	1.00
68_A	109_L	1.124	1.00
212_A	271_T	1.123	1.00
238_V	296_Y	1.121	1.00
161_E	164_S	1.107	1.00
156_V	269_T	1.098	1.00
30_L	144_A	1.089	1.00
283_E	286_A	1.086	1.00
38_Q	144_A	1.081	1.00
56_Y	189_I	1.075	1.00
45_T	87_S	1.066	1.00
155_I	272_V	1.065	1.00
203_R	207_I	1.065	1.00
84_Y	135_V	1.063	1.00
214_N	226_E	1.056	1.00
110_A	117_L	1.054	1.00
166_A	262_G	1.054	1.00
188_F	192_H	1.053	1.00
85_L	134_T	1.053	1.00
300_K	303_S	1.053	1.00
260_L	263_G	1.033	1.00
28_A	40_I	1.029	1.00
201_V	204_L	1.029	1.00
41_V	134_T	1.026	1.00
37_V	138_E	1.021	1.00
282_Q	285_A	1.019	1.00
146_L	150_A	1.015	1.00
71_I	135_V	1.015	1.00
272_V	277_W	1.004	1.00
189_I	192_H	1.001	1.00
186_D	194_R	0.997	1.00
154_D	271_T	0.997	1.00
37_V	140_E	0.985	1.00
38_Q	139_I	0.984	1.00
90_V	99_I	0.984	1.00
280_L	283_E	0.983	1.00
113_Y	198_R	0.980	1.00
146_L	149_L	0.973	1.00
71_I	115_M	0.971	1.00
89_A	126_A	0.966	1.00
149_L	211_A	0.953	1.00
99_I	124_S	0.952	1.00
58_S	61_D	0.943	1.00
83_F	116_D	0.943	1.00
200_S	204_L	0.933	1.00
58_S	190_H	0.932	1.00
202_G	205_C	0.930	1.00
140_E	206_S	0.930	1.00
19_S	31_Y	0.923	1.00
270_G	280_L	0.921	1.00
64_Y	108_E	0.920	1.00
150_A	227_I	0.919	1.00
67_L	71_I	0.914	1.00
67_L	110_A	0.911	1.00
203_R	206_S	0.909	1.00
208_F	283_E	0.908	1.00
33_A	138_E	0.907	1.00
140_E	143_Q	0.906	1.00
159_T	284_C	0.904	1.00
170_S	173_L	0.903	1.00
26_D	77_M	0.903	1.00
203_R	287_L	0.903	1.00
84_Y	133_V	0.901	1.00
54_L	128_K	0.901	1.00
59_P	98_E	0.897	1.00
214_N	269_T	0.892	1.00
64_Y	68_A	0.892	1.00
186_D	191_R	0.892	1.00
63_G	105_G	0.886	1.00
191_R	194_R	0.881	1.00
258_W	262_G	0.880	1.00
159_T	201_V	0.874	1.00
220_L	269_T	0.874	1.00
152_P	155_I	0.872	1.00
259_A	264_E	0.871	1.00
176_T	179_Q	0.869	1.00
186_D	190_H	0.860	1.00
201_V	284_C	0.858	1.00
20_V	23_G	0.857	1.00
110_A	115_M	0.857	1.00
208_F	280_L	0.852	1.00
152_P	298_R	0.850	1.00
71_I	109_L	0.849	1.00
83_F	136_I	0.849	1.00
65_K	265_D	0.846	1.00
32_T	38_Q	0.846	1.00
126_A	130_V	0.845	1.00
190_H	193_K	0.838	1.00
236_E	239_E	0.837	1.00
159_T	270_G	0.828	1.00
192_H	195_P	0.828	1.00
66_A	133_V	0.824	1.00
27_D	214_N	0.822	1.00
106_M	133_V	0.820	1.00
22_V	146_L	0.820	1.00
20_V	116_D	0.819	1.00
207_I	279_V	0.815	1.00
94_W	98_E	0.815	1.00
153_N	296_Y	0.813	1.00
243_P	292_T	0.813	1.00
223_E	269_T	0.812	1.00
204_L	208_F	0.812	1.00
216_V	267_E	0.812	1.00
280_L	284_C	0.804	1.00
224_L	228_A	0.802	1.00
34_K	37_V	0.801	1.00
159_T	268_L	0.801	1.00
63_G	102_M	0.793	1.00
175_E	253_P	0.791	1.00
40_I	74_I	0.791	1.00
145_C	210_R	0.790	1.00
191_R	195_P	0.788	1.00
21_D	32_T	0.786	1.00
161_E	290_P	0.780	1.00
151_K	154_D	0.779	1.00
228_A	297_V	0.776	1.00
80_I	202_G	0.774	1.00
40_I	139_I	0.774	1.00
187_Y	190_H	0.774	1.00
30_L	77_M	0.771	1.00
84_Y	106_M	0.769	1.00
169_L	173_L	0.769	1.00
102_M	131_V	0.767	1.00
285_A	290_P	0.762	1.00
32_T	36_G	0.762	1.00
239_E	259_A	0.759	1.00
100_K	104_E	0.753	1.00
97_S	101_A	0.752	1.00
199_V	203_R	0.751	1.00
42_C	74_I	0.750	1.00
200_S	284_C	0.749	1.00
222_S	226_E	0.744	1.00
190_H	194_R	0.743	1.00
76_A	268_L	0.742	1.00
26_D	147_R	0.741	1.00
156_V	297_V	0.740	1.00
20_V	118_I	0.739	1.00
187_Y	191_R	0.736	1.00
80_I	114_H	0.735	1.00
98_E	102_M	0.734	1.00
84_Y	110_A	0.734	1.00
67_L	109_L	0.733	1.00
46_M	69_V	0.733	1.00
87_S	132_T	0.731	1.00
200_S	287_L	0.731	1.00
45_T	89_A	0.729	1.00
165_S	264_E	0.727	1.00
234_S	302_K	0.725	1.00
164_S	169_L	0.724	1.00
80_I	138_E	0.721	1.00
75_A	202_G	0.717	1.00
216_V	220_L	0.709	1.00
80_I	203_R	0.707	1.00
96_E	100_K	0.706	1.00
220_L	224_L	0.706	1.00
165_S	192_H	0.705	1.00
188_F	191_R	0.698	1.00
102_M	106_M	0.698	1.00
201_V	268_L	0.695	1.00
60_E	105_G	0.693	1.00
158_V	266_F	0.693	1.00
169_L	172_L	0.692	1.00
150_A	231_S	0.691	1.00
195_P	199_V	0.691	1.00
31_Y	83_F	0.689	1.00
43_V	132_T	0.689	1.00
63_G	106_M	0.689	1.00
88_L	131_V	0.679	1.00
52_F	56_Y	0.679	1.00
19_S	24_I	0.677	1.00
232_C	300_K	0.674	1.00
208_F	279_V	0.673	1.00
228_A	303_S	0.673	1.00
19_S	32_T	0.671	1.00
30_L	38_Q	0.671	1.00
89_A	130_V	0.670	1.00
155_I	160_G	0.667	1.00
259_A	262_G	0.662	1.00
197_P	289_L	0.658	1.00
189_I	193_K	0.657	1.00
86_V	91_P	0.653	1.00
162_I	194_R	0.651	1.00
94_W	99_I	0.650	1.00
46_M	66_A	0.647	1.00
38_Q	142_G	0.643	1.00
166_A	258_W	0.643	1.00
149_L	156_V	0.641	1.00
222_S	261_F	0.641	1.00
201_V	270_G	0.639	1.00
274_N	277_W	0.637	1.00
253_P	258_W	0.635	1.00
204_L	280_L	0.632	1.00
79_G	139_I	0.631	1.00
89_A	123_V	0.627	1.00
209_K	279_V	0.624	1.00
145_C	205_C	0.622	1.00
172_L	177_N	0.621	1.00
88_L	102_M	0.620	1.00
31_Y	41_V	0.619	1.00
85_L	118_I	0.619	1.00
221_A	260_L	0.618	1.00
184_E	191_R	0.618	1.00
41_V	83_F	0.613	1.00
157_F	270_G	0.611	1.00
147_R	230_A	0.610	1.00
71_I	113_Y	0.610	1.00
215_D	226_E	0.609	1.00
86_V	103_Y	0.608	1.00
241_M	292_T	0.606	1.00
298_R	301_T	0.605	1.00
72_S	265_D	0.602	1.00
84_Y	117_L	0.601	1.00
70_N	133_V	0.599	1.00
112_L	196_E	0.599	1.00
54_L	65_K	0.596	1.00
214_N	227_I	0.595	1.00
42_C	70_N	0.594	1.00
75_A	199_V	0.594	1.00
19_S	22_V	0.593	1.00
18_S	23_G	0.592	1.00
106_M	131_V	0.592	1.00
205_C	213_L	0.590	1.00
36_G	140_E	0.588	1.00
143_Q	208_F	0.588	1.00
38_Q	44_D	0.583	1.00
258_W	261_F	0.583	1.00
203_R	283_E	0.580	1.00
264_E	267_E	0.578	1.00
160_G	290_P	0.576	1.00
58_S	101_A	0.574	1.00
166_A	170_S	0.569	0.99
98_E	101_A	0.567	0.99
280_L	291_I	0.566	0.99
20_V	24_I	0.565	0.99
278_E	293_K	0.564	0.99
208_F	276_E	0.564	0.99
166_A	169_L	0.560	0.99
73_D	215_D	0.559	0.99
258_W	263_G	0.555	0.99
173_L	176_T	0.552	0.99
105_G	109_L	0.552	0.99
106_M	109_L	0.549	0.99
64_Y	194_R	0.549	0.99
160_G	292_T	0.547	0.99
162_I	267_E	0.547	0.99
228_A	231_S	0.546	0.99
155_I	275_E	0.546	0.99
90_V	98_E	0.544	0.99
41_V	44_D	0.544	0.99
44_D	73_D	0.541	0.99
158_V	216_V	0.540	0.99
104_E	107_N	0.540	0.99
91_P	129_L	0.539	0.99
200_S	289_L	0.538	0.99
150_A	211_A	0.538	0.99
278_E	285_A	0.538	0.99
158_V	162_I	0.537	0.99
204_L	284_C	0.534	0.99
19_S	80_I	0.534	0.99
32_T	35_H	0.529	0.99
22_V	30_L	0.524	0.99
222_S	225_N	0.523	0.99
19_S	23_G	0.523	0.99
257_E	262_G	0.522	0.99
203_R	286_A	0.520	0.99
221_A	261_F	0.519	0.99
158_V	243_P	0.519	0.99
185_T	188_F	0.519	0.99
223_E	226_E	0.519	0.99
106_M	117_L	0.517	0.99
220_L	294_I	0.516	0.99
148_S	230_A	0.514	0.99
74_I	137_G	0.514	0.99
65_K	192_H	0.513	0.99
157_F	160_G	0.513	0.99
20_V	25_G	0.512	0.99
254_N	257_E	0.512	0.99
299_E	302_K	0.511	0.99
148_S	231_S	0.511	0.99
150_A	233_V	0.510	0.99
62_I	102_M	0.509	0.99
35_H	140_E	0.509	0.99
197_P	200_S	0.508	0.99
43_V	85_L	0.508	0.99
72_S	266_F	0.507	0.99
168_G	171_L	0.507	0.99
97_S	100_K	0.505	0.99
73_D	217_S	0.503	0.99
35_H	142_G	0.503	0.99
85_L	136_I	0.501	0.99
153_N	297_V	0.501	0.99
183_V	186_D	0.500	0.99
162_I	220_L	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	0.9231	100	0.156	Contact Map
2yxzA	2	0.9108	100	0.212	Contact Map
3c9uA	2	0.9138	100	0.225	Contact Map
2z01A	2	0.9077	100	0.275	Contact Map
3m84A	2	0.9323	100	0.284	Contact Map
3vtiC	2	0.9138	100	0.29	Contact Map
2btuA	2	0.9292	100	0.294	Contact Map
2zodA	2	0.8831	100	0.294	Contact Map
3p4eA	2	0.9169	100	0.3	Contact Map
2rb9A	2	0.9415	100	0.307	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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