Q9HSV0 - HALSA - GREMLIN Contacts

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Q9HSV0 - Glucose-1-phosphate thymidylyltransferase

UniProt:	Q9HSV0	Sequences: MKAVVLAAGEGTRLRPRTADLPKPLVEVNGKPILTHCFEILLDLGIDDVVVVVGYEKDKIIDRYGDSFRAIDIEYAHQSERLGLAHAVLTAEPYVDSDFVVLNGDNIYSANFSEVLAHHTESGADITFPVEEVSTEEATSGAVCELDDDRAVTGLVEKPAEPPSNYAPTAFYVLPPAIFPACRVIRPSERGEYELADAIDLLIYSGYSVETQPFEGWKVNVNTEADITRAEQLLHSGQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	238 (228)
Sequences:	22882 (14527)
Seq/√Len:	962.0

ECOLI - RMLA1 RMLA2 GALF GALU GLMU GLGC
BACSU - RMLA YNGB GTAB YTDA RFBF GLGC GLMU GLGD
HALSA - Q9HSV0 Q9HQQ4 Q9HSZ8 Q9HSZ9 Q9HS61 Q9HSW4
SULSO - Q97U06 Q97ZD1 Q97VX4 Q7LXE7 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_R	3.451	1.00
31_K	39_E	3.244	1.00
145_E	154_G	2.734	1.00
145_E	153_T	2.711	1.00
48_D	72_D	2.668	1.00
132_E	165_N	2.543	1.00
35_T	63_R	2.519	1.00
82_L	86_H	2.503	1.00
124_A	210_E	2.480	1.00
119_H	127_T	2.338	1.00
132_E	213_P	2.302	1.00
130_V	211_T	2.290	1.00
181_A	205_S	2.283	1.00
147_D	151_A	2.193	1.00
48_D	74_E	2.159	1.00
53_V	57_K	2.086	1.00
57_K	61_I	2.056	1.00
181_A	201_L	2.035	1.00
98_D	175_P	1.957	1.00
89_L	92_E	1.951	1.00
3_A	41_L	1.932	1.00
3_A	46_I	1.931	1.00
38_F	49_V	1.930	1.00
76_A	90_T	1.905	1.00
201_L	205_S	1.891	1.00
200_D	204_Y	1.876	1.00
151_A	210_E	1.868	1.00
147_D	153_T	1.866	1.00
124_A	208_S	1.762	1.00
58_D	62_D	1.758	1.00
122_S	210_E	1.752	1.00
7_A	51_V	1.728	1.00
35_T	39_E	1.723	1.00
88_V	101_V	1.721	1.00
41_L	102_L	1.719	1.00
4_V	91_A	1.697	1.00
154_G	200_D	1.679	1.00
145_E	164_S	1.677	1.00
15_R	19_A	1.665	1.00
113_S	117_A	1.665	1.00
57_K	77_H	1.659	1.00
158_K	162_P	1.630	1.00
21_L	27_E	1.621	1.00
219_V	229_R	1.614	1.00
201_L	204_Y	1.603	1.00
59_K	62_D	1.591	1.00
146_L	166_Y	1.584	1.00
50_V	94_Y	1.579	1.00
125_D	175_P	1.574	1.00
166_Y	213_P	1.558	1.00
95_V	99_F	1.536	1.00
118_H	212_Q	1.511	1.00
21_L	59_K	1.494	1.00
137_E	140_S	1.492	1.00
61_I	77_H	1.488	1.00
32_P	35_T	1.486	1.00
152_V	211_T	1.465	1.00
197_D	200_D	1.464	1.00
25_L	59_K	1.435	1.00
151_A	208_S	1.427	1.00
117_A	121_E	1.410	1.00
130_V	144_C	1.408	1.00
98_D	120_T	1.404	1.00
114_E	117_A	1.399	1.00
74_E	94_Y	1.397	1.00
118_H	122_S	1.393	1.00
144_C	152_V	1.391	1.00
152_V	209_V	1.386	1.00
86_H	90_T	1.373	1.00
50_V	76_A	1.373	1.00
147_D	150_R	1.328	1.00
109_S	217_W	1.328	1.00
115_V	129_P	1.317	1.00
125_D	207_Y	1.295	1.00
99_F	176_P	1.292	1.00
130_V	166_Y	1.289	1.00
10_E	81_R	1.284	1.00
227_I	231_E	1.284	1.00
177_A	180_P	1.269	1.00
98_D	176_P	1.255	1.00
217_W	233_L	1.245	1.00
49_V	71_I	1.244	1.00
228_T	232_Q	1.241	1.00
134_S	138_A	1.240	1.00
118_H	210_E	1.234	1.00
126_I	174_L	1.233	1.00
89_L	183_R	1.229	1.00
125_D	208_S	1.228	1.00
223_T	226_D	1.214	1.00
53_V	61_I	1.202	1.00
103_N	170_A	1.199	1.00
184_V	201_L	1.174	1.00
50_V	91_A	1.165	1.00
65_G	75_Y	1.160	1.00
145_E	156_V	1.140	1.00
181_A	184_V	1.138	1.00
184_V	205_S	1.136	1.00
107_I	110_A	1.134	1.00
156_V	163_P	1.134	1.00
31_K	36_H	1.133	1.00
221_V	230_A	1.128	1.00
181_A	198_A	1.124	1.00
100_V	173_V	1.122	1.00
146_L	211_T	1.117	1.00
42_L	71_I	1.113	1.00
115_V	173_V	1.086	1.00
86_H	89_L	1.085	1.00
142_A	157_E	1.085	1.00
53_V	77_H	1.082	1.00
35_T	67_S	1.081	1.00
177_A	207_Y	1.081	1.00
114_E	118_H	1.079	1.00
226_D	229_R	1.075	1.00
34_L	64_Y	1.074	1.00
14_L	26_V	1.069	1.00
181_A	207_Y	1.066	1.00
25_L	63_R	1.064	1.00
111_N	114_E	1.063	1.00
186_R	189_E	1.058	1.00
196_A	200_D	1.056	1.00
180_P	184_V	1.056	1.00
30_G	36_H	1.054	1.00
118_H	121_E	1.047	1.00
46_I	100_V	1.036	1.00
219_V	233_L	1.035	1.00
8_A	52_V	1.032	1.00
101_V	174_L	1.031	1.00
119_H	173_V	1.030	1.00
97_S	176_P	1.029	1.00
174_L	199_I	1.026	1.00
56_E	59_K	1.013	1.00
180_P	183_R	1.000	1.00
140_S	226_D	0.983	1.00
33_I	221_V	0.979	1.00
53_V	75_Y	0.975	1.00
202_L	207_Y	0.972	1.00
50_V	74_E	0.967	1.00
53_V	60_I	0.966	1.00
139_T	158_K	0.965	1.00
117_A	120_T	0.959	1.00
168_P	172_Y	0.946	1.00
58_D	61_I	0.944	1.00
89_L	182_C	0.937	1.00
213_P	216_G	0.934	1.00
34_L	51_V	0.929	1.00
4_V	99_F	0.926	1.00
39_E	42_L	0.918	1.00
219_V	230_A	0.912	1.00
228_T	231_E	0.909	1.00
190_R	193_Y	0.899	1.00
31_K	35_T	0.894	1.00
34_L	60_I	0.887	1.00
83_G	196_A	0.882	1.00
44_L	113_S	0.878	1.00
92_E	179_F	0.878	1.00
5_V	104_G	0.874	1.00
225_A	229_R	0.874	1.00
61_I	75_Y	0.865	1.00
33_I	37_C	0.861	1.00
14_L	18_T	0.859	1.00
43_D	110_A	0.857	1.00
84_L	103_N	0.855	1.00
100_V	116_L	0.853	1.00
27_E	32_P	0.852	1.00
229_R	232_Q	0.847	1.00
76_A	94_Y	0.838	1.00
63_R	66_D	0.838	1.00
24_P	104_G	0.835	1.00
18_T	26_V	0.828	1.00
96_D	176_P	0.827	1.00
229_R	233_L	0.824	1.00
47_D	72_D	0.820	1.00
124_A	151_A	0.814	1.00
119_H	175_P	0.813	1.00
102_L	112_F	0.810	1.00
139_T	160_A	0.805	1.00
198_A	201_L	0.803	1.00
143_V	167_A	0.798	1.00
123_G	175_P	0.791	1.00
65_G	68_F	0.776	1.00
210_E	213_P	0.768	1.00
42_L	49_V	0.767	1.00
46_I	116_L	0.766	1.00
65_G	69_R	0.765	1.00
32_P	63_R	0.762	1.00
32_P	36_H	0.762	1.00
106_N	218_K	0.760	1.00
35_T	64_Y	0.757	1.00
29_N	231_E	0.755	1.00
29_N	36_H	0.754	1.00
132_E	166_Y	0.751	1.00
199_I	209_V	0.747	1.00
88_V	178_I	0.747	1.00
42_L	47_D	0.746	1.00
6_L	103_N	0.742	1.00
186_R	197_D	0.741	1.00
177_A	181_A	0.741	1.00
116_L	120_T	0.739	1.00
140_S	158_K	0.738	1.00
76_A	91_A	0.733	1.00
76_A	79_S	0.732	1.00
154_G	161_E	0.724	1.00
116_L	173_V	0.716	1.00
4_V	50_V	0.714	1.00
114_E	212_Q	0.713	1.00
212_Q	216_G	0.712	1.00
115_V	212_Q	0.711	1.00
22_P	59_K	0.710	1.00
40_I	110_A	0.709	1.00
115_V	127_T	0.708	1.00
4_V	52_V	0.706	1.00
42_L	67_S	0.706	1.00
62_D	65_G	0.703	1.00
153_T	156_V	0.702	1.00
92_E	99_F	0.701	1.00
116_L	119_H	0.699	1.00
162_P	165_N	0.698	1.00
17_R	21_L	0.698	1.00
133_V	138_A	0.698	1.00
38_F	73_I	0.697	1.00
40_I	44_L	0.685	1.00
38_F	64_Y	0.684	1.00
26_V	227_I	0.680	1.00
166_Y	211_T	0.679	1.00
156_V	159_P	0.671	1.00
176_P	179_F	0.671	1.00
175_P	178_I	0.671	1.00
43_D	113_S	0.670	1.00
95_V	179_F	0.669	1.00
52_V	87_A	0.669	1.00
150_R	213_P	0.669	1.00
127_T	210_E	0.668	1.00
155_L	168_P	0.664	1.00
36_H	39_E	0.664	1.00
178_I	202_L	0.661	1.00
6_L	84_L	0.649	1.00
182_C	185_I	0.642	1.00
54_G	81_R	0.641	1.00
17_R	224_E	0.639	1.00
145_E	163_P	0.636	1.00
81_R	86_H	0.636	1.00
5_V	102_L	0.635	1.00
113_S	116_L	0.632	1.00
125_D	177_A	0.628	1.00
189_E	197_D	0.627	1.00
185_I	201_L	0.627	1.00
178_I	207_Y	0.625	1.00
115_V	119_H	0.623	1.00
192_E	195_L	0.618	1.00
11_G	23_K	0.615	1.00
128_F	144_C	0.615	1.00
154_G	204_Y	0.614	1.00
140_S	223_T	0.613	1.00
38_F	51_V	0.612	1.00
28_V	231_E	0.612	1.00
103_N	106_N	0.612	1.00
220_N	226_D	0.611	1.00
134_S	165_N	0.607	1.00
54_G	57_K	0.605	1.00
108_Y	111_N	0.603	1.00
17_R	26_V	0.601	1.00
197_D	201_L	0.601	1.00
3_A	49_V	0.599	1.00
131_E	169_T	0.598	1.00
177_A	205_S	0.597	1.00
180_P	205_S	0.595	1.00
61_I	65_G	0.595	1.00
53_V	58_D	0.591	1.00
41_L	100_V	0.590	1.00
224_E	228_T	0.590	1.00
130_V	152_V	0.588	1.00
92_E	180_P	0.588	1.00
112_F	115_V	0.587	1.00
52_V	91_A	0.582	1.00
124_A	127_T	0.582	1.00
17_R	20_D	0.582	1.00
51_V	64_Y	0.581	1.00
102_L	171_F	0.579	1.00
26_V	231_E	0.577	1.00
51_V	73_I	0.575	1.00
127_T	130_V	0.575	1.00
78_Q	87_A	0.574	1.00
130_V	213_P	0.572	1.00
13_R	23_K	0.572	1.00
27_E	30_G	0.571	1.00
88_V	179_F	0.570	1.00
38_F	71_I	0.570	1.00
37_C	40_I	0.570	1.00
40_I	171_F	0.569	1.00
181_A	202_L	0.560	1.00
84_L	168_P	0.558	1.00
209_V	216_G	0.557	1.00
195_L	198_A	0.556	1.00
200_D	203_I	0.555	1.00
131_E	167_A	0.555	1.00
5_V	37_C	0.554	1.00
110_A	113_S	0.554	1.00
122_S	125_D	0.553	1.00
112_F	119_H	0.552	1.00
36_H	40_I	0.551	1.00
67_S	75_Y	0.551	1.00
64_Y	68_F	0.551	1.00
80_E	86_H	0.548	1.00
188_S	195_L	0.547	1.00
10_E	15_R	0.546	1.00
126_I	202_L	0.545	1.00
150_R	153_T	0.543	1.00
89_L	193_Y	0.542	1.00
82_L	193_Y	0.542	1.00
91_A	94_Y	0.538	1.00
122_S	208_S	0.536	1.00
83_G	197_D	0.536	1.00
74_E	77_H	0.534	1.00
39_E	43_D	0.532	1.00
191_G	195_L	0.532	1.00
185_I	198_A	0.530	1.00
131_E	218_K	0.530	1.00
8_A	81_R	0.529	1.00
185_I	193_Y	0.528	1.00
133_V	167_A	0.527	1.00
24_P	60_I	0.525	1.00
40_I	43_D	0.525	1.00
127_T	131_E	0.521	1.00
52_V	76_A	0.520	1.00
209_V	214_F	0.518	1.00
122_S	127_T	0.517	1.00
129_P	214_F	0.516	1.00
126_I	209_V	0.516	1.00
100_V	112_F	0.514	1.00
98_D	173_V	0.513	1.00
73_I	76_A	0.509	1.00
42_L	70_A	0.509	1.00
225_A	228_T	0.509	1.00
23_K	105_D	0.509	1.00
37_C	102_L	0.508	1.00
64_Y	73_I	0.508	1.00
21_L	26_V	0.506	1.00
78_Q	81_R	0.504	1.00
125_D	178_I	0.502	1.00
129_P	169_T	0.501	1.00
64_Y	67_S	0.501	1.00
50_V	95_V	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	0.9916	100	0.242	Contact Map
2e3dA	3	0.9832	100	0.26	Contact Map
2ux8A	4	0.9916	100	0.262	Contact Map
1lvwA	3	0.9916	100	0.279	Contact Map
2pa4A	3	0.9958	100	0.281	Contact Map
4ho4A	3	0.9874	100	0.282	Contact Map
1iimA	3	0.9874	100	0.283	Contact Map
1mc3A	3	0.9874	100	0.29	Contact Map
1yp2A	4	0.979	100	0.296	Contact Map
3brkX	2	0.9496	100	0.297	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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