THIL - ECOLI - GREMLIN Contacts

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THIL - Thiamine-monophosphate kinase

UniProt:	P0AGG0	Sequences: MACGEFSLIARYFDRVRSSRLDVELGIGDDCALLNIPEKQTLAISTDTLVAGNHFLPDIDPADLAYKALAVNLSDLAAMGADPAWLTLALTLPDVDEAWLESFSDSLFDLLNYYDMQLIGGDTTRGPLSMTLGIHGFVPMGRALTRSGAKPGDWIYVTGTPGDSAAGLAILQNRLQVADAKDADYLIKRHLRPSPRILQGQALRDLANSAIDLSDGLISDLGHIVKASDCGARIDLALLPFSDALSRHVEPEQALRWALSGGEDYELCFTVPELNRGALDVALGHLGVPFTCIGQMTADIEGLCFIRDGEPVTLDWKGYDHFATP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG20227
Length:	325 (277)
Sequences:	15087 (9527)
Seq/√Len:	572.4

ECOLI - THIL SELD HYPE
BACSU - THIL PURL
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
154_W	292_C	3.487	1.00
233_R	297_T	2.974	1.00
233_R	295_Q	2.965	1.00
271_V	279_L	2.693	1.00
275_N	278_A	2.626	1.00
151_P	298_A	2.597	1.00
153_D	208_N	2.517	1.00
235_D	238_L	2.416	1.00
154_W	295_Q	2.403	1.00
154_W	276_R	2.362	1.00
62_A	109_D	2.357	1.00
156_Y	292_C	2.286	1.00
62_A	102_S	2.265	1.00
155_I	270_T	2.232	1.00
225_V	232_A	2.204	1.00
102_S	105_D	2.202	1.00
230_C	296_M	2.200	1.00
208_N	272_P	2.194	1.00
156_Y	280_D	2.167	1.00
108_F	112_N	2.082	1.00
276_R	292_C	2.056	1.00
43_A	81_A	2.044	1.00
231_G	297_T	2.001	1.00
221_L	232_A	1.998	1.00
154_W	273_E	1.993	1.00
156_Y	290_F	1.930	1.00
272_P	275_N	1.930	1.00
35_N	140_M	1.912	1.00
62_A	105_D	1.889	1.00
221_L	234_I	1.888	1.00
280_D	290_F	1.885	1.00
156_Y	271_V	1.855	1.00
276_R	280_D	1.853	1.00
61_P	128_L	1.814	1.00
72_N	134_I	1.804	1.00
66_Y	110_L	1.796	1.00
273_E	295_Q	1.776	1.00
76_L	81_A	1.761	1.00
208_N	270_T	1.751	1.00
151_P	230_C	1.739	1.00
156_Y	276_R	1.727	1.00
231_G	299_D	1.721	1.00
224_I	270_T	1.714	1.00
155_I	232_A	1.672	1.00
84_A	137_F	1.670	1.00
277_G	281_V	1.667	1.00
39_K	140_M	1.642	1.00
18_S	112_N	1.636	1.00
45_S	134_I	1.614	1.00
109_D	112_N	1.583	1.00
205_D	282_A	1.566	1.00
44_I	87_T	1.543	1.00
278_A	281_V	1.524	1.00
232_A	296_M	1.511	1.00
198_L	201_Q	1.509	1.00
292_C	295_Q	1.507	1.00
283_L	290_F	1.498	1.00
149_A	209_S	1.497	1.00
150_K	272_P	1.486	1.00
153_D	272_P	1.486	1.00
210_A	269_F	1.471	1.00
105_D	109_D	1.467	1.00
88_L	107_L	1.461	1.00
109_D	113_Y	1.459	1.00
149_A	296_M	1.453	1.00
163_D	242_S	1.426	1.00
221_L	268_C	1.424	1.00
209_S	224_I	1.414	1.00
281_V	285_H	1.405	1.00
33_L	43_A	1.402	1.00
153_D	296_M	1.393	1.00
150_K	208_N	1.392	1.00
149_A	270_T	1.376	1.00
24_E	41_T	1.375	1.00
87_T	120_G	1.374	1.00
163_D	171_L	1.365	1.00
46_T	89_A	1.361	1.00
231_G	302_G	1.353	1.00
299_D	303_L	1.350	1.00
196_R	266_E	1.348	1.00
110_L	113_Y	1.343	1.00
270_T	296_M	1.335	1.00
277_G	280_D	1.335	1.00
142_R	204_R	1.334	1.00
144_L	210_A	1.331	1.00
156_Y	279_L	1.330	1.00
138_V	143_A	1.330	1.00
63_D	106_S	1.324	1.00
31_C	79_M	1.324	1.00
63_D	66_Y	1.324	1.00
76_L	134_I	1.307	1.00
90_L	100_L	1.295	1.00
213_L	268_C	1.277	1.00
61_P	99_W	1.263	1.00
278_A	282_A	1.255	1.00
280_D	284_G	1.248	1.00
39_K	141_G	1.246	1.00
200_G	203_L	1.240	1.00
85_W	119_I	1.236	1.00
41_T	140_M	1.235	1.00
82_D	204_R	1.231	1.00
44_I	135_H	1.226	1.00
69_L	107_L	1.223	1.00
210_A	267_L	1.217	1.00
37_P	137_F	1.214	1.00
32_A	119_I	1.214	1.00
280_D	292_C	1.213	1.00
231_G	300_I	1.209	1.00
190_H	194_S	1.208	1.00
91_T	126_G	1.207	1.00
186_L	190_H	1.203	1.00
68_A	130_M	1.199	1.00
46_T	133_G	1.188	1.00
78_A	210_A	1.180	1.00
213_L	220_D	1.168	1.00
199_Q	203_L	1.163	1.00
59_I	187_I	1.160	1.00
63_D	192_R	1.156	1.00
48_T	131_T	1.154	1.00
66_Y	113_Y	1.144	1.00
155_I	268_C	1.139	1.00
235_D	295_Q	1.133	1.00
282_A	286_L	1.133	1.00
96_D	99_W	1.126	1.00
44_I	133_G	1.122	1.00
281_V	284_G	1.115	1.00
199_Q	202_A	1.093	1.00
154_W	271_V	1.091	1.00
160_T	163_D	1.090	1.00
86_L	134_I	1.090	1.00
187_I	191_L	1.089	1.00
111_L	118_L	1.077	1.00
271_V	276_R	1.076	1.00
189_R	192_R	1.075	1.00
87_T	133_G	1.069	1.00
209_S	270_T	1.065	1.00
70_A	110_L	1.065	1.00
73_L	134_I	1.064	1.00
206_L	282_A	1.058	1.00
15_R	105_D	1.056	1.00
139_P	204_R	1.055	1.00
282_A	285_H	1.047	1.00
188_K	191_L	1.045	1.00
236_L	254_A	1.041	1.00
69_L	86_L	1.041	1.00
145_T	148_G	1.030	1.00
33_L	143_A	1.026	1.00
279_L	282_A	1.025	1.00
37_P	40_Q	1.005	1.00
31_C	43_A	1.004	1.00
201_Q	205_D	1.000	1.00
60_D	63_D	0.999	1.00
40_Q	139_P	0.992	1.00
92_L	100_L	0.985	1.00
211_I	223_H	0.984	1.00
153_D	270_T	0.983	1.00
148_G	208_N	0.981	1.00
187_I	190_H	0.981	1.00
269_F	279_L	0.977	1.00
48_T	89_A	0.970	1.00
139_P	142_R	0.968	1.00
73_L	116_M	0.967	1.00
114_Y	196_R	0.965	1.00
169_A	172_Q	0.963	1.00
192_R	195_P	0.953	1.00
184_D	192_R	0.939	1.00
36_I	137_F	0.938	1.00
253_Q	256_R	0.933	1.00
165_A	261_G	0.932	1.00
85_W	117_Q	0.930	1.00
151_P	154_W	0.930	1.00
158_T	269_F	0.927	1.00
149_A	224_I	0.925	1.00
29_D	79_M	0.924	1.00
69_L	111_L	0.924	1.00
23_V	26_G	0.923	1.00
158_T	199_Q	0.922	1.00
299_D	302_G	0.921	1.00
107_L	132_L	0.919	1.00
69_L	73_L	0.917	1.00
66_Y	109_D	0.915	1.00
217_L	268_C	0.915	1.00
190_H	193_P	0.913	1.00
151_P	297_T	0.908	1.00
240_P	291_T	0.907	1.00
67_K	263_E	0.907	1.00
168_L	171_L	0.903	1.00
98_A	102_S	0.903	1.00
60_D	188_K	0.899	1.00
45_S	76_L	0.897	1.00
168_L	172_Q	0.895	1.00
279_L	283_L	0.894	1.00
85_W	135_H	0.892	1.00
186_L	189_R	0.892	1.00
145_T	149_A	0.891	1.00
65_A	106_S	0.888	1.00
86_L	132_L	0.884	1.00
211_I	268_C	0.883	1.00
40_Q	137_F	0.876	1.00
158_T	283_L	0.876	1.00
82_D	201_Q	0.873	1.00
111_L	116_M	0.869	1.00
92_L	103_F	0.866	1.00
199_Q	283_L	0.864	1.00
184_D	189_R	0.863	1.00
184_D	188_K	0.862	1.00
65_A	103_F	0.855	1.00
198_L	202_A	0.854	1.00
189_R	193_P	0.854	1.00
66_Y	70_A	0.852	1.00
152_G	295_Q	0.850	1.00
73_L	110_L	0.845	1.00
23_V	117_Q	0.843	1.00
233_R	236_L	0.842	1.00
89_A	131_T	0.841	1.00
24_E	35_N	0.840	1.00
41_T	143_A	0.839	1.00
221_L	225_V	0.839	1.00
185_Y	188_K	0.837	1.00
126_G	129_S	0.833	1.00
258_A	263_E	0.831	1.00
25_L	145_T	0.828	1.00
171_L	176_Q	0.825	1.00
236_L	258_A	0.821	1.00
158_T	267_L	0.819	1.00
41_T	138_V	0.818	1.00
155_I	159_G	0.817	1.00
68_A	132_L	0.815	1.00
99_W	103_F	0.809	1.00
155_I	296_M	0.806	1.00
35_N	39_K	0.803	1.00
65_A	107_L	0.790	1.00
82_D	115_D	0.787	1.00
220_D	268_C	0.785	1.00
213_L	266_E	0.780	1.00
202_A	206_L	0.779	1.00
82_D	137_F	0.778	1.00
150_K	153_D	0.778	1.00
69_L	110_L	0.776	1.00
33_L	79_M	0.775	1.00
30_D	211_I	0.772	1.00
97_E	101_E	0.768	1.00
43_A	76_L	0.763	1.00
90_L	130_M	0.763	1.00
188_K	194_S	0.763	1.00
86_L	107_L	0.758	1.00
149_A	228_S	0.756	1.00
144_L	207_A	0.756	1.00
182_D	189_R	0.751	1.00
49_L	71_V	0.749	1.00
23_V	27_I	0.749	1.00
202_A	205_D	0.748	1.00
200_G	204_R	0.745	1.00
233_R	303_L	0.745	1.00
43_A	138_V	0.745	1.00
86_L	111_L	0.745	1.00
48_T	91_T	0.744	1.00
231_G	301_E	0.744	1.00
148_G	155_I	0.744	1.00
201_Q	204_R	0.735	1.00
217_L	221_L	0.735	1.00
188_K	192_R	0.729	1.00
205_D	278_A	0.728	1.00
189_R	194_S	0.724	1.00
23_V	119_I	0.721	1.00
15_R	101_E	0.720	1.00
62_A	106_S	0.720	1.00
225_V	296_M	0.720	1.00
180_A	183_A	0.717	1.00
213_L	217_L	0.715	1.00
103_F	130_M	0.712	1.00
284_G	289_P	0.712	1.00
46_T	131_T	0.708	1.00
273_E	276_R	0.708	1.00
185_Y	189_R	0.708	1.00
165_A	257_W	0.703	1.00
101_E	105_D	0.700	1.00
229_D	299_D	0.694	1.00
78_A	267_L	0.692	1.00
58_D	176_Q	0.690	1.00
81_A	138_V	0.689	1.00
16_V	19_S	0.687	1.00
191_L	195_P	0.685	1.00
219_S	223_H	0.682	1.00
191_L	194_S	0.682	1.00
56_L	59_I	0.680	1.00
206_L	278_A	0.672	1.00
200_G	206_L	0.671	1.00
15_R	18_S	0.669	1.00
91_T	124_T	0.668	1.00
29_D	146_R	0.666	1.00
103_F	107_L	0.663	1.00
72_N	132_L	0.662	1.00
164_S	190_H	0.660	1.00
156_Y	269_F	0.658	1.00
34_L	85_W	0.658	1.00
49_L	68_A	0.655	1.00
202_A	282_A	0.655	1.00
154_W	274_L	0.644	1.00
87_T	119_I	0.644	1.00
35_N	38_E	0.644	1.00
99_W	102_S	0.640	1.00
254_A	258_A	0.639	1.00
73_L	114_Y	0.638	1.00
95_V	100_L	0.637	1.00
91_T	129_S	0.637	1.00
186_L	194_S	0.637	1.00
163_D	168_L	0.635	1.00
88_L	104_S	0.632	1.00
157_V	240_P	0.632	1.00
257_W	261_G	0.630	1.00
238_L	291_T	0.627	1.00
60_D	102_S	0.624	1.00
39_K	139_P	0.618	1.00
113_Y	194_S	0.618	1.00
185_Y	194_S	0.617	1.00
211_I	224_I	0.612	1.00
146_R	227_A	0.610	1.00
261_G	264_D	0.607	1.00
195_P	288_V	0.606	1.00
95_V	99_W	0.605	1.00
183_A	186_L	0.605	1.00
45_S	72_N	0.604	1.00
40_Q	140_M	0.602	1.00
181_K	184_D	0.596	1.00
25_L	28_G	0.588	1.00
161_P	164_S	0.588	1.00
160_T	289_P	0.586	1.00
159_G	289_P	0.584	1.00
163_D	189_R	0.581	1.00
206_L	279_L	0.580	1.00
231_G	303_L	0.579	1.00
44_I	85_W	0.579	1.00
170_I	177_V	0.577	1.00
142_R	205_D	0.577	1.00
149_A	208_N	0.577	1.00
256_R	260_S	0.576	1.00
212_D	223_H	0.575	1.00
277_G	292_C	0.573	1.00
75_D	212_D	0.572	1.00
25_L	33_L	0.572	1.00
197_I	201_Q	0.572	1.00
106_S	110_L	0.571	1.00
105_D	108_F	0.570	0.99
159_G	291_T	0.570	0.99
182_D	188_K	0.569	0.99
157_V	161_P	0.569	0.99
252_E	257_W	0.568	0.99
14_D	17_R	0.568	0.99
172_Q	175_L	0.568	0.99
182_D	185_Y	0.567	0.99
174_R	252_E	0.567	0.99
251_P	254_A	0.566	0.99
201_Q	286_L	0.564	0.99
86_L	118_L	0.562	0.99
64_L	103_F	0.561	0.99
208_N	275_N	0.559	0.99
63_D	102_S	0.559	0.99
289_P	292_C	0.559	0.99
181_K	185_Y	0.558	0.99
147_S	227_A	0.556	0.99
218_I	255_L	0.553	0.99
48_T	129_S	0.553	0.99
30_D	212_D	0.553	0.99
92_L	99_W	0.552	0.99
107_L	130_M	0.552	0.99
155_I	224_I	0.552	0.99
279_L	290_F	0.549	0.99
167_G	170_I	0.548	0.99
277_G	284_G	0.548	0.99
107_L	110_L	0.548	0.99
161_P	266_E	0.547	0.99
225_V	228_S	0.543	0.99
235_D	292_C	0.543	0.99
164_S	263_E	0.541	0.99
203_L	279_L	0.539	0.99
206_L	275_N	0.538	0.99
54_H	58_D	0.535	0.99
185_Y	192_R	0.535	0.99
35_N	41_T	0.535	0.99
297_T	300_I	0.531	0.99
70_A	114_Y	0.531	0.99
180_A	186_L	0.531	0.99
222_G	226_K	0.529	0.99
160_T	242_S	0.529	0.99
152_G	273_E	0.529	0.99
186_L	191_L	0.528	0.99
87_T	91_T	0.528	0.99
149_A	230_C	0.527	0.99
164_S	262_G	0.525	0.99
230_C	298_A	0.525	0.99
220_D	223_H	0.524	0.99
186_L	193_P	0.524	0.99
41_T	141_G	0.524	0.99
46_T	87_T	0.524	0.99
111_L	132_L	0.523	0.99
169_A	173_N	0.521	0.99
238_L	292_C	0.521	0.99
47_D	75_D	0.520	0.99
50_V	53_N	0.520	0.99
34_L	44_I	0.518	0.99
53_N	103_F	0.516	0.99
31_C	78_A	0.516	0.99
107_L	118_L	0.515	0.99
187_I	194_S	0.514	0.99
61_P	102_S	0.511	0.99
153_D	273_E	0.509	0.99
241_F	258_A	0.508	0.99
165_A	169_A	0.506	0.99
154_W	159_G	0.503	0.99
34_L	119_I	0.503	0.99
258_A	261_G	0.503	0.99
150_K	230_C	0.501	0.99
252_E	256_R	0.501	0.99
259_L	266_E	0.500	0.99
225_V	302_G	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	0.9292	100	0.151	Contact Map
2yxzA	2	0.9169	100	0.228	Contact Map
3c9uA	2	0.92	100	0.232	Contact Map
2z01A	2	0.8954	100	0.289	Contact Map
3m84A	2	0.9354	100	0.299	Contact Map
2btuA	2	0.9231	100	0.304	Contact Map
2zodA	2	0.8831	100	0.311	Contact Map
3p4eA	2	0.92	100	0.311	Contact Map
3vtiC	2	0.8923	100	0.334	Contact Map
3u0oA	2	0.92	100	0.338	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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