Q9HQQ4 - HALSA - GREMLIN Contacts

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Q9HQQ4 - Glucose-1-phosphate thymidylyltransferase

UniProt:	Q9HQQ4	Sequences: MQAVVLAAGEGTRLRPLTEDKPKGMVEIAGKPILTHCFEQLVALGAEKIVAIVGYRKQNIISHYGDEFDGVPITYAHQREQNGLAHALLKAEEHVNEDFMLMLGDNIFRANLEDVVNRQQEERADAAFLVEEVDWDEASRYGVCDTNDYGEIQEVVEKPDDPPSNLVMTGFYTFSPAIFQACKLVQPSDRAEYELSDAIDLLIKSGRTIDAIPMEGWRIDVGYPEDRDEAEERIDAVSNE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	240 (229)
Sequences:	22790 (14501)
Seq/√Len:	958.3

ECOLI - RMLA1 RMLA2 GALF GALU GLMU GLGC
BACSU - RMLA YNGB YTDA GTAB RFBF GLGC GLMU GLGD
HALSA - Q9HQQ4 Q9HSV0 Q9HSZ8 Q9HSZ9 Q9HS61 Q9HSW4
SULSO - Q97U06 Q97ZD1 Q7LXE7 Q97VX4 Q980H9 Q97XG0 Q7LXK9 Q7LXG3 Q980D4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
92_E	183_K	3.513	1.00
31_K	39_E	3.250	1.00
145_D	153_Q	2.754	1.00
145_D	154_E	2.711	1.00
35_T	63_H	2.671	1.00
124_A	210_D	2.601	1.00
48_K	72_P	2.545	1.00
82_N	86_H	2.537	1.00
132_E	165_N	2.533	1.00
147_N	151_E	2.430	1.00
181_A	205_S	2.405	1.00
132_E	213_P	2.379	1.00
130_V	211_A	2.246	1.00
119_Q	127_A	2.233	1.00
98_D	175_S	2.227	1.00
48_K	74_T	2.210	1.00
181_A	201_L	2.120	1.00
147_N	153_Q	2.087	1.00
124_A	208_T	2.059	1.00
151_E	210_D	2.040	1.00
200_D	204_K	2.003	1.00
3_A	46_A	1.980	1.00
38_F	49_I	1.972	1.00
3_A	41_L	1.950	1.00
76_A	90_K	1.927	1.00
58_Q	62_S	1.903	1.00
89_L	92_E	1.898	1.00
201_L	205_S	1.851	1.00
7_A	51_A	1.777	1.00
41_L	102_M	1.775	1.00
145_D	164_S	1.757	1.00
118_R	212_I	1.744	1.00
4_V	91_A	1.740	1.00
88_L	101_L	1.738	1.00
35_T	39_E	1.738	1.00
122_E	210_D	1.726	1.00
15_R	19_E	1.723	1.00
98_D	120_Q	1.707	1.00
53_V	57_K	1.662	1.00
219_I	229_E	1.661	1.00
113_E	117_N	1.658	1.00
201_L	204_K	1.653	1.00
21_K	27_E	1.648	1.00
59_N	62_S	1.646	1.00
125_D	175_S	1.582	1.00
50_V	94_H	1.572	1.00
154_E	200_D	1.563	1.00
166_L	213_P	1.559	1.00
158_K	162_P	1.547	1.00
61_I	77_H	1.543	1.00
137_E	140_R	1.540	1.00
21_K	59_N	1.535	1.00
32_P	35_T	1.529	1.00
42_V	71_V	1.528	1.00
146_T	166_L	1.501	1.00
152_I	209_I	1.495	1.00
130_V	144_C	1.484	1.00
197_D	200_D	1.474	1.00
114_D	117_N	1.465	1.00
49_I	71_V	1.456	1.00
25_M	59_N	1.452	1.00
57_K	77_H	1.436	1.00
152_I	211_A	1.414	1.00
50_V	76_A	1.404	1.00
144_C	152_I	1.403	1.00
227_R	231_E	1.401	1.00
134_D	138_A	1.392	1.00
151_E	208_T	1.388	1.00
117_N	121_E	1.371	1.00
118_R	122_E	1.368	1.00
115_V	129_L	1.361	1.00
86_H	90_K	1.344	1.00
217_W	233_R	1.335	1.00
95_V	99_F	1.333	1.00
74_T	94_H	1.333	1.00
177_A	180_Q	1.301	1.00
109_R	217_W	1.292	1.00
126_A	174_F	1.289	1.00
99_F	176_P	1.266	1.00
125_D	208_T	1.252	1.00
228_D	232_E	1.251	1.00
53_V	77_H	1.235	1.00
65_G	75_Y	1.228	1.00
103_L	170_G	1.216	1.00
223_Y	226_D	1.215	1.00
181_A	198_A	1.215	1.00
53_V	61_I	1.204	1.00
107_I	110_A	1.195	1.00
89_L	183_K	1.194	1.00
98_D	176_P	1.193	1.00
97_E	176_P	1.186	1.00
50_V	91_A	1.184	1.00
181_A	184_L	1.183	1.00
57_K	61_I	1.183	1.00
184_L	201_L	1.177	1.00
10_E	81_Q	1.168	1.00
156_V	163_P	1.155	1.00
221_V	230_A	1.148	1.00
146_T	211_A	1.144	1.00
180_Q	184_L	1.135	1.00
86_H	89_L	1.127	1.00
114_D	118_R	1.123	1.00
145_D	156_V	1.120	1.00
226_D	229_E	1.115	1.00
100_M	173_T	1.112	1.00
184_L	205_S	1.111	1.00
196_S	200_D	1.107	1.00
115_V	173_T	1.097	1.00
14_L	26_V	1.091	1.00
25_M	63_H	1.074	1.00
111_N	114_D	1.072	1.00
101_L	174_F	1.063	1.00
31_K	36_H	1.050	1.00
8_A	52_I	1.050	1.00
174_F	199_I	1.047	1.00
56_R	59_N	1.042	1.00
180_Q	183_K	1.040	1.00
34_L	64_Y	1.038	1.00
125_D	207_R	1.027	1.00
46_A	100_M	1.027	1.00
118_R	210_D	1.016	1.00
147_N	150_G	1.008	1.00
219_I	233_R	0.999	1.00
61_I	75_Y	0.991	1.00
50_V	74_T	0.990	1.00
33_I	221_V	0.989	1.00
53_V	60_I	0.989	1.00
118_R	121_E	0.988	1.00
54_G	57_K	0.987	1.00
130_V	166_L	0.983	1.00
202_L	207_R	0.959	1.00
34_L	60_I	0.958	1.00
34_L	51_A	0.949	1.00
89_L	182_C	0.945	1.00
4_V	99_F	0.945	1.00
168_M	172_Y	0.940	1.00
53_V	75_Y	0.934	1.00
98_D	173_T	0.925	1.00
199_I	209_I	0.925	1.00
139_S	158_K	0.923	1.00
225_E	229_E	0.922	1.00
76_A	94_H	0.919	1.00
228_D	231_E	0.913	1.00
29_A	36_H	0.912	1.00
150_G	213_P	0.906	1.00
117_N	120_Q	0.905	1.00
140_R	226_D	0.902	1.00
83_G	195_L	0.899	1.00
142_G	157_E	0.894	1.00
27_E	32_P	0.892	1.00
132_E	166_L	0.883	1.00
43_A	110_A	0.881	1.00
213_P	216_G	0.879	1.00
229_E	232_E	0.877	1.00
31_K	35_T	0.876	1.00
5_V	104_G	0.869	1.00
14_L	18_T	0.864	1.00
39_E	42_V	0.862	1.00
119_Q	173_T	0.861	1.00
33_I	37_C	0.853	1.00
32_P	63_H	0.851	1.00
58_Q	61_I	0.848	1.00
96_N	176_P	0.846	1.00
219_I	230_A	0.843	1.00
18_T	26_V	0.839	1.00
35_T	67_E	0.837	1.00
143_V	167_V	0.837	1.00
44_L	113_E	0.837	1.00
177_A	207_R	0.835	1.00
84_L	103_L	0.831	1.00
100_M	116_V	0.820	1.00
38_F	73_I	0.818	1.00
47_E	72_P	0.817	1.00
24_G	104_G	0.799	1.00
29_A	231_E	0.798	1.00
42_V	70_G	0.798	1.00
123_R	175_S	0.797	1.00
209_I	214_M	0.794	1.00
71_V	74_T	0.786	1.00
125_D	177_A	0.779	1.00
119_Q	175_S	0.774	1.00
124_A	151_E	0.768	1.00
42_V	49_I	0.764	1.00
177_A	181_A	0.763	1.00
106_N	218_R	0.762	1.00
30_G	36_H	0.760	1.00
162_P	165_N	0.755	1.00
156_V	159_P	0.754	1.00
46_A	116_V	0.752	1.00
102_M	112_L	0.749	1.00
229_E	233_R	0.746	1.00
38_F	64_Y	0.744	1.00
154_E	161_D	0.741	1.00
188_S	194_E	0.737	1.00
92_E	179_F	0.735	1.00
115_V	212_I	0.735	1.00
186_Q	189_D	0.733	1.00
51_A	73_I	0.733	1.00
160_D	163_P	0.732	1.00
178_I	202_L	0.729	1.00
6_L	103_L	0.728	1.00
116_V	120_Q	0.724	1.00
38_F	71_V	0.718	1.00
26_V	227_R	0.717	1.00
42_V	47_E	0.717	1.00
133_V	138_A	0.716	1.00
76_A	91_A	0.712	1.00
32_P	36_H	0.711	1.00
155_V	168_M	0.710	1.00
140_R	158_K	0.709	1.00
61_I	65_G	0.709	1.00
127_A	210_D	0.704	1.00
22_P	59_N	0.703	1.00
53_V	58_Q	0.699	1.00
210_D	213_P	0.698	1.00
126_A	209_I	0.694	1.00
192_E	195_L	0.690	1.00
181_A	202_L	0.689	1.00
36_H	234_I	0.687	1.00
92_E	99_F	0.686	1.00
198_A	201_L	0.685	1.00
126_A	202_L	0.683	1.00
88_L	178_I	0.682	1.00
3_A	49_I	0.680	1.00
27_E	30_G	0.676	1.00
145_D	163_P	0.675	1.00
52_I	87_A	0.673	1.00
40_Q	44_L	0.672	1.00
186_Q	201_L	0.671	1.00
17_L	21_K	0.669	1.00
76_A	79_R	0.667	1.00
114_D	212_I	0.663	1.00
153_Q	156_V	0.662	1.00
40_Q	110_A	0.661	1.00
4_V	52_I	0.660	1.00
176_P	179_F	0.657	1.00
127_A	131_E	0.654	1.00
63_H	66_D	0.646	1.00
181_A	207_R	0.644	1.00
115_V	127_A	0.643	1.00
185_V	201_L	0.639	1.00
102_M	171_F	0.636	1.00
11_G	23_K	0.634	1.00
43_A	113_E	0.634	1.00
177_A	205_S	0.633	1.00
36_H	39_E	0.633	1.00
81_Q	86_H	0.632	1.00
51_A	64_Y	0.629	1.00
224_P	228_D	0.629	1.00
116_V	173_T	0.627	1.00
70_G	73_I	0.626	1.00
4_V	50_V	0.624	1.00
17_L	20_D	0.623	1.00
154_E	204_K	0.623	1.00
103_L	106_N	0.621	1.00
35_T	64_Y	0.621	1.00
126_A	130_V	0.621	1.00
17_L	224_P	0.620	1.00
6_L	84_L	0.620	1.00
182_C	185_V	0.619	1.00
92_E	95_V	0.616	1.00
39_E	67_E	0.616	1.00
65_G	69_D	0.615	1.00
108_F	111_N	0.615	1.00
38_F	51_A	0.611	1.00
5_V	102_M	0.610	1.00
166_L	211_A	0.608	1.00
71_V	75_Y	0.606	1.00
180_Q	205_S	0.604	1.00
220_D	226_D	0.603	1.00
62_S	65_G	0.601	1.00
197_D	201_L	0.601	1.00
13_R	23_K	0.600	1.00
125_D	129_L	0.600	1.00
127_A	130_V	0.599	1.00
42_V	72_P	0.598	1.00
113_E	116_V	0.594	1.00
17_L	26_V	0.587	1.00
5_V	37_C	0.583	1.00
95_V	179_F	0.583	1.00
131_E	169_T	0.581	1.00
64_Y	73_I	0.577	1.00
189_D	194_E	0.576	1.00
185_V	193_Y	0.575	1.00
122_E	127_A	0.574	1.00
126_A	199_I	0.572	1.00
128_F	144_C	0.571	1.00
112_L	115_V	0.570	1.00
80_E	191_A	0.570	1.00
29_A	234_I	0.569	1.00
116_V	119_Q	0.568	1.00
130_V	213_P	0.567	1.00
40_Q	171_F	0.562	1.00
118_R	127_A	0.562	1.00
212_I	216_G	0.559	1.00
37_C	40_Q	0.558	1.00
93_E	96_N	0.557	1.00
54_G	81_Q	0.556	1.00
140_R	223_Y	0.553	1.00
52_I	91_A	0.551	1.00
28_I	231_E	0.548	1.00
41_L	100_M	0.546	1.00
110_A	113_E	0.545	1.00
119_Q	212_I	0.541	1.00
191_A	194_E	0.540	1.00
138_A	141_Y	0.539	1.00
133_V	137_E	0.538	1.00
177_A	208_T	0.538	1.00
86_H	193_Y	0.535	1.00
36_H	40_Q	0.532	1.00
148_D	151_E	0.532	1.00
160_D	164_S	0.531	1.00
52_I	76_A	0.530	1.00
67_E	75_Y	0.530	1.00
107_I	230_A	0.529	1.00
152_I	155_V	0.529	1.00
134_D	137_E	0.527	1.00
131_E	167_V	0.526	1.00
10_E	15_R	0.524	1.00
112_L	119_Q	0.523	1.00
25_M	57_K	0.522	1.00
187_P	193_Y	0.521	1.00
150_G	153_Q	0.519	1.00
8_A	81_Q	0.519	1.00
209_I	216_G	0.518	1.00
37_C	102_M	0.518	1.00
196_S	199_I	0.517	1.00
191_A	195_L	0.515	1.00
137_E	141_Y	0.512	1.00
4_V	88_L	0.510	1.00
82_N	193_Y	0.510	1.00
64_Y	75_Y	0.509	1.00
181_A	185_V	0.508	1.00
39_E	43_A	0.508	1.00
84_L	168_M	0.506	1.00
89_L	193_Y	0.504	1.00
80_E	86_H	0.503	1.00
179_F	182_C	0.502	1.00
115_V	119_Q	0.502	1.00
185_V	198_A	0.502	1.00
74_T	77_H	0.501	1.00
190_R	194_E	0.501	1.00
6_L	101_L	0.500	1.00
225_E	228_D	0.500	1.00

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
3jukA	3	0.9875	100	0.245	Contact Map
2e3dA	3	0.9833	100	0.261	Contact Map
2ux8A	4	0.9917	100	0.264	Contact Map
2pa4A	3	0.9958	100	0.279	Contact Map
1lvwA	3	0.9917	100	0.291	Contact Map
1iimA	3	0.9875	100	0.292	Contact Map
4ho4A	3	0.9875	100	0.295	Contact Map
3brkX	2	0.95	100	0.298	Contact Map
1mc3A	3	0.9875	100	0.3	Contact Map
1yp2A	4	0.9792	100	0.3	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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