Q9HSM7 - HALSA - GREMLIN Contacts

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Q9HSM7 - 2-keto-3-deoxygluconate kinase

UniProt:	Q9HSM7	Sequences: MDVVTFGETMLRLSPPGHERVEAADRMDVRVAGAESNVAVTAGRLGAETAWLSKLPASPLGRKVAATLRAQGTTPEVTWTDRDDLRQGLYFLEQGGEPRGTTVHYDRQDAAVTTATADELAPAFVERAGYLHTSGITPALSETLAATTADLLELAQETGTTATLDVNYRRGLWSHEEARDTLEALFPDVDVLFVAERDARGVLDRTGDADAIARGLADEFAFGTVVLTRGEAGALAVRNATTVTQPVFETETHDPIGTGDAFVGGYLAARVDGGDVEDALAWGAATAALKRTIPGDVALVTRADVESVLADEHSGIDR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	318 (282)
Sequences:	22437 (16658)
Seq/√Len:	992.0

ECOLI - RBSK YDJH SQUV YEGV KDGK YEII PSUK K1PF PFKB FRLD INGK HLDE
BACSU - KDGK IOLC YDJE K1PF FRLD RBSK
HALSA - Q9HSM7 Q9HP13 Q9HMJ3
SULSO - KDGK Q981E2 Q97W01 Q980X6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
47_A	268_A	2.978	1.00
132_H	163_T	2.921	1.00
65_A	80_T	2.545	1.00
236_A	280_L	2.453	1.00
4_V	128_A	2.437	1.00
275_D	278_D	2.431	1.00
229_R	235_L	2.431	1.00
50_A	74_T	2.375	1.00
234_A	262_F	2.262	1.00
42_A	47_A	2.227	1.00
269_A	274_G	2.195	1.00
62_R	80_T	2.151	1.00
153_E	188_D	2.132	1.00
217_A	237_V	2.055	1.00
57_A	82_R	2.054	1.00
54_K	81_D	2.023	1.00
44_R	71_Q	2.017	1.00
163_T	267_L	1.969	1.00
196_E	229_R	1.927	1.00
152_L	162_A	1.920	1.00
155_A	160_T	1.912	1.00
81_D	84_D	1.883	1.00
269_A	282_W	1.856	1.00
5_T	39_A	1.849	1.00
54_K	119_E	1.849	1.00
261_A	286_T	1.840	1.00
272_D	302_R	1.810	1.00
130_Y	161_T	1.808	1.00
301_T	304_D	1.793	1.00
190_D	223_G	1.781	1.00
161_T	190_D	1.754	1.00
40_V	71_Q	1.752	1.00
193_F	263_V	1.749	1.00
234_A	284_A	1.728	1.00
274_G	278_D	1.727	1.00
41_T	264_G	1.698	1.00
210_D	242_T	1.691	1.00
130_Y	163_T	1.685	1.00
66_A	70_A	1.677	1.00
122_P	154_L	1.670	1.00
258_T	291_R	1.665	1.00
149_A	184_A	1.661	1.00
293_I	304_D	1.650	1.00
69_R	75_P	1.622	1.00
229_R	244_T	1.613	1.00
65_A	69_R	1.611	1.00
243_V	277_E	1.605	1.00
266_Y	279_A	1.602	1.00
287_A	291_R	1.601	1.00
213_A	237_V	1.598	1.00
236_A	243_V	1.596	1.00
200_R	206_T	1.576	1.00
235_L	244_T	1.573	1.00
191_V	224_T	1.569	1.00
226_V	266_Y	1.565	1.00
67_T	70_A	1.564	1.00
277_E	281_A	1.553	1.00
265_G	286_T	1.534	1.00
156_Q	190_D	1.529	1.00
154_L	158_T	1.527	1.00
254_D	295_G	1.518	1.00
150_D	153_E	1.517	1.00
165_D	228_T	1.510	1.00
62_R	66_A	1.500	1.00
9_T	53_S	1.496	1.00
248_F	285_A	1.491	1.00
42_A	268_A	1.490	1.00
149_A	153_E	1.480	1.00
208_D	211_A	1.478	1.00
215_G	218_D	1.474	1.00
236_A	276_V	1.473	1.00
57_A	62_R	1.470	1.00
245_Q	280_L	1.469	1.00
31_V	64_V	1.458	1.00
154_L	157_E	1.446	1.00
3_V	42_A	1.435	1.00
130_Y	267_L	1.430	1.00
29_V	63_K	1.395	1.00
150_D	154_L	1.370	1.00
166_V	194_V	1.360	1.00
85_L	114_T	1.343	1.00
189_V	192_L	1.342	1.00
265_G	282_W	1.337	1.00
250_T	292_T	1.337	1.00
13_L	27_M	1.318	1.00
126_E	158_T	1.317	1.00
229_R	232_A	1.316	1.00
36_S	68_L	1.313	1.00
61_G	87_Q	1.310	1.00
161_T	191_V	1.300	1.00
65_A	78_T	1.292	1.00
214_R	218_D	1.290	1.00
205_R	215_G	1.289	1.00
161_T	223_G	1.277	1.00
102_T	105_Y	1.271	1.00
266_Y	270_R	1.271	1.00
248_F	281_A	1.250	1.00
210_D	214_R	1.249	1.00
81_D	85_L	1.243	1.00
57_A	80_T	1.242	1.00
228_T	262_F	1.236	1.00
48_E	74_T	1.235	1.00
245_Q	284_A	1.233	1.00
116_T	119_E	1.227	1.00
224_T	270_R	1.224	1.00
156_Q	188_D	1.221	1.00
266_Y	283_G	1.218	1.00
224_T	266_Y	1.216	1.00
234_A	280_L	1.215	1.00
252_T	291_R	1.188	1.00
11_L	63_K	1.182	1.00
278_D	281_A	1.177	1.00
265_G	283_G	1.174	1.00
214_R	242_T	1.171	1.00
229_R	233_G	1.168	1.00
66_A	69_R	1.167	1.00
268_A	272_D	1.164	1.00
117_A	150_D	1.163	1.00
193_F	228_T	1.158	1.00
248_F	284_A	1.158	1.00
214_R	237_V	1.157	1.00
31_V	67_T	1.154	1.00
153_E	157_E	1.152	1.00
43_G	73_T	1.151	1.00
99_R	102_T	1.150	1.00
238_R	241_T	1.147	1.00
224_T	276_V	1.145	1.00
269_A	279_A	1.130	1.00
250_T	291_R	1.128	1.00
45_L	265_G	1.123	1.00
131_L	155_A	1.113	1.00
133_T	162_A	1.112	1.00
67_T	71_Q	1.103	1.00
42_A	49_T	1.100	1.00
125_V	128_A	1.096	1.00
57_A	84_D	1.093	1.00
248_F	288_A	1.090	1.00
63_K	66_A	1.090	1.00
205_R	211_A	1.089	1.00
38_V	132_H	1.084	1.00
199_A	227_L	1.078	1.00
47_A	271_V	1.077	1.00
237_V	242_T	1.075	1.00
196_E	232_A	1.073	1.00
62_R	65_A	1.069	1.00
289_L	293_I	1.064	1.00
191_V	266_Y	1.059	1.00
247_V	284_A	1.051	1.00
39_A	49_T	1.049	1.00
289_L	292_T	1.044	1.00
59_P	62_R	1.039	1.00
213_A	227_L	1.033	1.00
252_T	255_P	1.032	1.00
284_A	287_A	1.029	1.00
142_E	146_A	1.029	1.00
81_D	114_T	1.028	1.00
224_T	236_A	1.028	1.00
40_V	44_R	1.017	1.00
131_L	160_T	1.016	1.00
41_T	261_A	1.015	1.00
266_Y	276_V	1.012	1.00
13_L	29_V	1.010	1.00
100_G	104_H	1.006	1.00
58_S	87_Q	1.003	1.00
224_T	238_R	1.002	1.00
56_P	87_Q	0.989	1.00
55_L	65_A	0.989	1.00
211_A	214_R	0.980	1.00
179_R	183_E	0.974	1.00
55_L	61_G	0.970	1.00
261_A	290_K	0.968	1.00
101_T	104_H	0.967	1.00
122_P	158_T	0.965	1.00
6_F	131_L	0.964	1.00
100_G	103_V	0.963	1.00
43_G	72_G	0.961	1.00
191_V	270_R	0.957	1.00
42_A	264_G	0.956	1.00
269_A	272_D	0.955	1.00
132_H	267_L	0.955	1.00
199_A	212_I	0.954	1.00
112_V	115_A	0.954	1.00
50_A	124_F	0.953	1.00
109_D	112_V	0.952	1.00
9_T	64_V	0.951	1.00
121_A	150_D	0.948	1.00
193_F	266_Y	0.946	1.00
123_A	126_E	0.942	1.00
217_A	239_N	0.941	1.00
279_A	283_G	0.938	1.00
132_H	263_V	0.936	1.00
47_A	272_D	0.932	1.00
45_L	286_T	0.930	1.00
146_A	150_D	0.927	1.00
268_A	282_W	0.926	1.00
164_L	189_V	0.925	1.00
241_T	277_E	0.924	1.00
133_T	152_L	0.924	1.00
203_L	212_I	0.922	1.00
50_A	77_V	0.913	1.00
5_T	35_E	0.910	1.00
9_T	51_W	0.905	1.00
195_A	198_D	0.904	1.00
233_G	247_V	0.904	1.00
281_A	285_A	0.901	1.00
55_L	78_T	0.900	1.00
31_V	63_K	0.894	1.00
43_G	48_E	0.892	1.00
50_A	128_A	0.890	1.00
122_P	157_E	0.885	1.00
165_D	193_F	0.881	1.00
196_E	200_R	0.879	1.00
14_S	30_R	0.879	1.00
268_A	302_R	0.878	1.00
153_E	184_A	0.877	1.00
75_P	78_T	0.876	1.00
63_K	67_T	0.872	1.00
252_T	292_T	0.866	1.00
13_L	89_L	0.860	1.00
261_A	299_L	0.858	1.00
55_L	80_T	0.858	1.00
232_A	244_T	0.858	1.00
65_A	75_P	0.854	1.00
133_T	148_T	0.854	1.00
18_H	99_R	0.853	1.00
4_V	52_L	0.853	1.00
36_S	297_V	0.852	1.00
13_L	60_L	0.848	1.00
270_R	279_A	0.838	1.00
3_V	271_V	0.835	1.00
275_D	279_A	0.833	1.00
128_A	160_T	0.830	1.00
79_W	119_E	0.830	1.00
250_T	288_A	0.829	1.00
194_V	199_A	0.828	1.00
213_A	225_V	0.828	1.00
10_M	88_G	0.823	1.00
214_R	217_A	0.822	1.00
15_P	91_F	0.821	1.00
213_A	217_A	0.816	1.00
9_T	36_S	0.816	1.00
217_A	238_R	0.813	1.00
163_T	193_F	0.806	1.00
6_F	151_L	0.805	1.00
64_V	87_Q	0.799	1.00
274_G	282_W	0.796	1.00
265_G	269_A	0.796	1.00
261_A	265_G	0.795	1.00
165_D	194_V	0.794	1.00
58_S	61_G	0.791	1.00
38_V	263_V	0.790	1.00
179_R	182_L	0.789	1.00
262_F	284_A	0.788	1.00
223_G	238_R	0.785	1.00
251_E	292_T	0.782	1.00
245_Q	277_E	0.782	1.00
11_L	60_L	0.779	1.00
282_W	305_V	0.778	1.00
147_T	151_L	0.772	1.00
184_A	187_P	0.772	1.00
253_H	294_P	0.767	1.00
284_A	288_A	0.759	1.00
287_A	290_K	0.758	1.00
4_V	50_A	0.753	1.00
186_F	189_V	0.750	1.00
125_V	160_T	0.745	1.00
117_A	146_A	0.745	1.00
152_L	188_D	0.744	1.00
210_D	244_T	0.744	1.00
4_V	124_F	0.741	1.00
245_Q	281_A	0.739	1.00
101_T	105_Y	0.739	1.00
54_K	79_W	0.737	1.00
43_G	49_T	0.737	1.00
226_V	236_A	0.736	1.00
243_V	280_L	0.733	1.00
149_A	188_D	0.727	1.00
261_A	287_A	0.727	1.00
282_W	302_R	0.725	1.00
11_L	29_V	0.721	1.00
65_A	79_W	0.716	1.00
130_Y	271_V	0.710	1.00
39_A	51_W	0.706	1.00
211_A	215_G	0.705	1.00
199_A	216_L	0.704	1.00
285_A	289_L	0.700	1.00
131_L	151_L	0.700	1.00
117_A	147_T	0.698	1.00
143_T	146_A	0.697	1.00
109_D	113_T	0.695	1.00
231_E	249_E	0.691	1.00
122_P	126_E	0.685	1.00
213_A	242_T	0.684	1.00
210_D	237_V	0.678	1.00
92_L	256_I	0.678	1.00
77_V	124_F	0.676	1.00
262_F	280_L	0.675	1.00
257_G	299_L	0.675	1.00
217_A	221_A	0.675	1.00
85_L	111_A	0.671	1.00
29_V	60_L	0.669	1.00
48_E	129_G	0.669	1.00
45_L	268_A	0.668	1.00
45_L	282_W	0.664	1.00
235_L	242_T	0.662	1.00
180_D	183_E	0.662	1.00
274_G	279_A	0.661	1.00
262_F	283_G	0.657	1.00
233_G	244_T	0.657	1.00
146_A	149_A	0.653	1.00
12_R	32_A	0.653	1.00
45_L	305_V	0.652	1.00
40_V	297_V	0.652	1.00
192_L	225_V	0.651	1.00
289_L	304_D	0.649	1.00
124_F	128_A	0.649	1.00
163_T	191_V	0.647	1.00
100_G	105_Y	0.647	1.00
32_A	37_N	0.643	1.00
178_A	181_T	0.642	1.00
60_L	89_L	0.639	1.00
118_D	121_A	0.637	1.00
34_A	167_N	0.629	1.00
210_D	235_L	0.628	1.00
28_D	294_P	0.624	1.00
67_T	297_V	0.623	1.00
129_G	160_T	0.619	1.00
71_Q	301_T	0.618	1.00
280_L	284_A	0.617	1.00
42_A	267_L	0.614	1.00
163_T	263_V	0.614	1.00
50_A	76_E	0.614	1.00
155_A	162_A	0.614	1.00
234_A	245_Q	0.612	1.00
145_A	181_T	0.611	1.00
141_S	144_L	0.610	1.00
3_V	130_Y	0.608	1.00
151_L	154_L	0.607	1.00
130_Y	191_V	0.604	1.00
222_F	225_V	0.601	1.00
36_S	51_W	0.599	1.00
262_F	287_A	0.598	1.00
8_E	167_N	0.594	1.00
149_A	152_L	0.592	1.00
217_A	222_F	0.592	1.00
15_P	27_M	0.591	1.00
205_R	212_I	0.591	1.00
226_V	262_F	0.590	1.00
18_H	95_G	0.589	1.00
3_V	47_A	0.587	1.00
53_S	78_T	0.587	1.00
145_A	149_A	0.587	1.00
39_A	73_T	0.585	1.00
289_L	305_V	0.577	1.00
88_G	112_V	0.570	1.00
35_E	39_A	0.570	1.00
162_A	189_V	0.569	1.00
62_R	69_R	0.567	1.00
165_D	260_D	0.566	1.00
230_G	255_P	0.564	1.00
209_A	229_R	0.561	1.00
38_V	264_G	0.561	1.00
115_A	120_L	0.561	1.00
264_G	268_A	0.560	1.00
5_T	49_T	0.558	1.00
17_G	20_R	0.557	1.00
59_P	63_K	0.555	1.00
231_E	252_T	0.555	1.00
183_E	187_P	0.554	1.00
245_Q	248_F	0.552	1.00
45_L	264_G	0.550	1.00
238_R	242_T	0.549	1.00
38_V	42_A	0.548	1.00
270_R	273_G	0.548	1.00
15_P	24_A	0.546	1.00
21_V	34_A	0.545	1.00
238_R	243_V	0.543	1.00
115_A	119_E	0.542	1.00
68_L	73_T	0.541	1.00
13_L	91_F	0.541	1.00
205_R	208_D	0.539	1.00
155_A	158_T	0.539	1.00
59_P	66_A	0.538	1.00
130_Y	270_R	0.538	1.00
256_I	296_D	0.537	1.00
210_D	213_A	0.535	1.00
163_T	270_R	0.534	1.00
38_V	267_L	0.533	1.00
48_E	271_V	0.533	1.00
273_G	279_A	0.533	1.00
31_V	297_V	0.531	1.00
37_N	296_D	0.531	1.00
199_A	209_A	0.530	1.00
217_A	225_V	0.528	1.00
209_A	212_I	0.528	1.00
278_D	282_W	0.527	1.00
117_A	121_A	0.527	1.00
199_A	225_V	0.526	1.00
5_T	42_A	0.525	1.00
228_T	260_D	0.525	1.00
199_A	237_V	0.525	1.00
276_V	280_L	0.525	1.00
125_V	154_L	0.522	1.00
27_M	89_L	0.522	1.00
193_F	226_V	0.521	1.00
194_V	228_T	0.520	1.00
276_V	279_A	0.519	1.00
226_V	280_L	0.514	1.00
180_D	184_A	0.514	1.00
196_E	230_G	0.514	1.00
286_T	305_V	0.514	1.00
203_L	215_G	0.514	1.00
82_R	85_L	0.511	1.00
35_E	134_S	0.511	1.00
34_A	136_I	0.510	1.00
221_A	225_V	0.510	1.00
43_G	71_Q	0.508	1.00
5_T	51_W	0.503	1.00
40_V	73_T	0.503	1.00
225_V	237_V	0.503	1.00
34_A	38_V	0.502	1.00
189_V	222_F	0.501	1.00
258_T	290_K	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
3iq0A	2	0.9623	100	0.178	Contact Map
2v78A	5	0.9591	100	0.181	Contact Map
2dcnA	5	0.9528	100	0.182	Contact Map
2rbcA	2	0.9308	100	0.19	Contact Map
3ktnA	5	0.9906	100	0.193	Contact Map
3ljsA	2	0.9623	100	0.199	Contact Map
4du5A	2	0.9214	100	0.199	Contact Map
4gm6A	5	0.9717	100	0.201	Contact Map
1tyyA	2	0.9182	100	0.207	Contact Map
1v1aA	5	0.934	100	0.208	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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