IOLC - BACSU - GREMLIN Contacts

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IOLC - 5-dehydro-2-deoxygluconokinase

UniProt:	P42414	Sequences: MKYTFNEEKAFDIVAIGRACIDLNAVEYNRPMEETMTFSKYVGGSPANIAIGSAKLGLKAGFIGKIPDDQHGRFIESYMRKTGVDTTQMIVDQDGHKAGLAFTEILSPEECSILMYRDDVADLYLEPSEVSEDYIANAKMLLVSGTALAKSPSREAVLKAVQYAKKHQVKVVFELDYRPYTWQSSDETAVYYSLVAEQSDIVIGTRDEFDVMENRTGGSNEESVNHLFGHSADLVVIKHGVEGSYAYSKSGEVFRAQAYKTKVLKTFGAGDSYASAFIYGLVSGKDIETALKYGSASASIVVSKHSSSEAMPTAEEIEQLIEAQS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	325 (286)
Sequences:	22447 (16532)
Seq/√Len:	977.6

ECOLI - RBSK YDJH YEGV SQUV KDGK YEII PSUK K1PF PFKB FRLD INGK HLDE
BACSU - IOLC YDJE KDGK RBSK K1PF FRLD
HALSA - Q9HSM7 Q9HMJ3 Q9HP13
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
58_L	279_Y	3.127	1.00
12_D	139_K	2.739	1.00
76_E	91_V	2.692	1.00
61_G	85_D	2.531	1.00
239_H	245_Y	2.513	1.00
142_L	172_V	2.473	1.00
14_V	138_A	2.404	1.00
246_A	291_L	2.363	1.00
280_G	285_K	2.356	1.00
12_D	59_K	2.199	1.00
162_Q	198_Q	2.136	1.00
244_S	273_Y	2.128	1.00
286_D	289_T	2.126	1.00
68_D	93_Q	2.084	1.00
73_R	91_V	2.035	1.00
206_R	239_H	2.011	1.00
254_F	288_E	1.996	1.00
65_K	92_D	1.924	1.00
228_F	247_Y	1.919	1.00
280_G	293_Y	1.916	1.00
15_A	50_A	1.914	1.00
164_A	169_V	1.898	1.00
80_R	86_T	1.896	1.00
172_V	278_I	1.882	1.00
65_K	129_E	1.870	1.00
51_I	82_T	1.869	1.00
170_K	200_D	1.850	1.00
313_T	316_E	1.849	1.00
161_V	171_V	1.828	1.00
221_E	253_V	1.808	1.00
140_M	170_K	1.802	1.00
55_K	82_T	1.784	1.00
158_L	194_L	1.764	1.00
224_V	247_Y	1.753	1.00
272_S	297_S	1.750	1.00
245_Y	255_R	1.749	1.00
203_I	274_A	1.746	1.00
285_K	289_T	1.744	1.00
53_S	58_L	1.737	1.00
246_A	254_F	1.724	1.00
52_G	275_S	1.702	1.00
132_E	163_Y	1.699	1.00
78_Y	81_K	1.664	1.00
283_S	314_A	1.643	1.00
140_M	172_V	1.626	1.00
244_S	295_S	1.623	1.00
200_D	233_D	1.619	1.00
201_I	234_L	1.609	1.00
76_E	80_R	1.608	1.00
13_I	53_S	1.588	1.00
276_A	297_S	1.576	1.00
234_L	248_S	1.575	1.00
288_E	292_K	1.575	1.00
163_Y	167_H	1.573	1.00
298_A	302_V	1.569	1.00
277_F	290_A	1.566	1.00
236_V	277_F	1.560	1.00
269_A	302_V	1.558	1.00
239_H	255_R	1.541	1.00
239_H	242_E	1.532	1.00
226_H	230_H	1.517	1.00
304_K	316_E	1.507	1.00
40_K	74_F	1.503	1.00
158_L	162_Q	1.483	1.00
259_Y	296_A	1.478	1.00
159_K	163_Y	1.474	1.00
77_S	81_K	1.460	1.00
12_D	61_G	1.460	1.00
159_K	162_Q	1.457	1.00
140_M	278_I	1.448	1.00
19_A	64_G	1.448	1.00
226_H	229_G	1.442	1.00
246_A	287_I	1.435	1.00
68_D	91_V	1.433	1.00
53_S	279_Y	1.427	1.00
26_V	37_T	1.424	1.00
256_A	291_L	1.377	1.00
276_A	293_Y	1.371	1.00
42_V	75_I	1.369	1.00
68_D	73_R	1.363	1.00
256_A	295_S	1.358	1.00
170_K	201_I	1.356	1.00
279_Y	283_S	1.355	1.00
136_A	167_H	1.345	1.00
73_R	77_S	1.336	1.00
210_D	216_T	1.332	1.00
21_I	74_F	1.321	1.00
259_Y	292_K	1.321	1.00
59_K	85_D	1.318	1.00
265_K	306_S	1.315	1.00
47_A	79_M	1.299	1.00
219_S	222_E	1.293	1.00
78_Y	82_T	1.289	1.00
163_Y	166_K	1.289	1.00
221_E	225_N	1.280	1.00
126_E	129_E	1.274	1.00
174_E	238_K	1.262	1.00
247_Y	253_V	1.245	1.00
165_K	198_Q	1.243	1.00
228_F	249_K	1.238	1.00
175_L	204_G	1.238	1.00
42_V	78_Y	1.237	1.00
193_S	230_H	1.232	1.00
127_P	159_K	1.222	1.00
165_K	200_D	1.221	1.00
74_F	77_S	1.210	1.00
199_S	202_V	1.208	1.00
23_L	38_F	1.207	1.00
248_S	252_E	1.203	1.00
215_R	226_H	1.199	1.00
234_L	287_I	1.197	1.00
261_T	303_S	1.186	1.00
280_G	290_A	1.185	1.00
244_S	291_L	1.177	1.00
76_E	89_M	1.175	1.00
170_K	233_D	1.168	1.00
234_L	281_L	1.168	1.00
225_N	229_G	1.158	1.00
280_G	283_S	1.157	1.00
209_F	237_I	1.157	1.00
225_N	247_Y	1.156	1.00
72_G	98_A	1.152	1.00
23_L	40_K	1.145	1.00
73_R	76_E	1.141	1.00
26_V	39_S	1.132	1.00
141_L	164_A	1.124	1.00
276_A	294_G	1.122	1.00
263_V	302_V	1.119	1.00
277_F	294_G	1.118	1.00
58_L	282_V	1.115	1.00
234_L	277_F	1.111	1.00
215_R	222_E	1.099	1.00
259_Y	299_S	1.089	1.00
142_L	278_I	1.086	1.00
259_Y	295_S	1.085	1.00
58_L	283_S	1.085	1.00
300_I	303_S	1.081	1.00
50_A	60_A	1.077	1.00
277_F	281_L	1.074	1.00
289_T	292_K	1.069	1.00
261_T	302_V	1.065	1.00
49_I	142_L	1.064	1.00
300_I	304_K	1.062	1.00
203_I	238_K	1.060	1.00
56_L	276_A	1.058	1.00
239_H	243_G	1.056	1.00
70_Q	73_R	1.056	1.00
225_N	253_V	1.056	1.00
263_V	266_T	1.053	1.00
19_A	75_I	1.046	1.00
201_I	281_L	1.045	1.00
54_A	84_V	1.045	1.00
143_V	171_V	1.044	1.00
61_G	138_A	1.042	1.00
74_F	78_Y	1.038	1.00
201_I	277_F	1.035	1.00
173_F	199_S	1.031	1.00
113_I	116_Y	1.030	1.00
238_K	273_Y	1.026	1.00
23_L	100_L	1.024	1.00
112_S	115_M	1.017	1.00
54_A	83_G	1.014	1.00
234_L	246_A	1.013	1.00
53_S	60_A	1.012	1.00
209_F	223_S	1.010	1.00
51_I	55_K	1.005	1.00
132_E	167_H	1.003	1.00
206_R	242_E	1.002	1.00
162_Q	166_K	1.002	1.00
112_S	116_Y	0.999	1.00
92_D	124_Y	0.998	1.00
25_A	102_F	0.995	1.00
222_E	225_N	0.994	1.00
77_S	80_R	0.985	1.00
42_V	74_F	0.982	1.00
277_F	287_I	0.978	1.00
272_S	301_V	0.978	1.00
76_E	86_T	0.971	1.00
53_S	275_S	0.966	1.00
295_S	298_A	0.959	1.00
19_A	47_A	0.957	1.00
224_V	237_I	0.956	1.00
138_A	169_V	0.953	1.00
142_L	274_A	0.949	1.00
141_L	169_V	0.948	1.00
292_K	296_A	0.948	1.00
233_D	249_K	0.946	1.00
189_A	193_S	0.942	1.00
258_A	295_S	0.940	1.00
61_G	88_Q	0.939	1.00
131_S	159_K	0.936	1.00
19_A	62_F	0.935	1.00
197_E	231_S	0.934	1.00
155_E	159_K	0.930	1.00
52_G	272_S	0.924	1.00
203_I	277_F	0.921	1.00
61_G	134_Y	0.917	1.00
256_A	292_K	0.908	1.00
15_A	46_P	0.903	1.00
23_L	71_H	0.903	1.00
290_A	294_G	0.896	1.00
135_I	138_A	0.891	1.00
285_K	293_Y	0.890	1.00
122_D	125_L	0.889	1.00
14_V	63_I	0.889	1.00
111_C	115_M	0.889	1.00
143_V	161_V	0.888	1.00
281_L	290_A	0.888	1.00
279_Y	314_A	0.886	1.00
56_L	297_S	0.886	1.00
262_K	303_S	0.885	1.00
65_K	90_I	0.883	1.00
86_T	89_M	0.881	1.00
66_I	76_E	0.881	1.00
16_I	141_L	0.879	1.00
66_I	89_M	0.876	1.00
245_Y	253_V	0.871	1.00
133_D	136_A	0.870	1.00
66_I	72_G	0.866	1.00
279_Y	293_Y	0.866	1.00
206_R	210_D	0.865	1.00
194_L	197_E	0.858	1.00
264_L	305_H	0.858	1.00
54_A	59_K	0.857	1.00
24_N	41_Y	0.856	1.00
252_E	288_E	0.856	1.00
13_I	140_M	0.847	1.00
104_E	112_S	0.847	1.00
67_P	98_A	0.846	1.00
21_I	40_K	0.845	1.00
263_V	303_S	0.843	1.00
158_L	198_Q	0.843	1.00
66_I	91_V	0.836	1.00
276_A	280_G	0.830	1.00
152_P	155_E	0.829	1.00
222_E	226_H	0.828	1.00
20_C	99_G	0.824	1.00
286_D	290_A	0.820	1.00
213_E	223_S	0.819	1.00
256_A	288_E	0.817	1.00
16_I	160_A	0.815	1.00
69_D	98_A	0.811	1.00
135_I	169_V	0.809	1.00
12_D	137_N	0.808	1.00
75_I	98_A	0.802	1.00
261_T	299_S	0.802	1.00
61_G	87_T	0.802	1.00
196_A	199_S	0.801	1.00
273_Y	295_S	0.799	1.00
40_K	71_H	0.798	1.00
204_G	209_F	0.796	1.00
54_A	60_A	0.793	1.00
162_Q	194_L	0.786	1.00
143_V	157_V	0.785	1.00
248_S	287_I	0.785	1.00
190_V	193_S	0.783	1.00
174_E	203_I	0.781	1.00
13_I	282_V	0.778	1.00
205_T	208_E	0.777	1.00
47_A	308_S	0.773	1.00
49_I	274_A	0.773	1.00
243_G	258_A	0.772	1.00
242_E	255_R	0.766	1.00
154_R	191_Y	0.761	1.00
35_T	114_L	0.758	1.00
151_S	155_E	0.758	1.00
197_E	230_H	0.753	1.00
225_N	228_F	0.752	1.00
56_L	293_Y	0.747	1.00
156_A	160_A	0.742	1.00
50_A	62_F	0.739	1.00
295_S	299_S	0.738	1.00
14_V	61_G	0.736	1.00
99_G	104_E	0.736	1.00
189_A	192_Y	0.735	1.00
224_V	235_V	0.734	1.00
119_D	122_D	0.734	1.00
21_I	71_H	0.732	1.00
140_M	282_V	0.731	1.00
272_S	298_A	0.730	1.00
90_I	129_E	0.727	1.00
70_Q	74_F	0.718	1.00
174_E	204_G	0.717	1.00
76_E	90_I	0.717	1.00
236_V	246_A	0.716	1.00
39_S	305_H	0.714	1.00
296_A	300_I	0.713	1.00
272_S	276_A	0.711	1.00
221_E	247_Y	0.708	1.00
220_N	239_H	0.705	1.00
154_R	158_L	0.704	1.00
78_Y	308_S	0.701	1.00
293_Y	314_A	0.700	1.00
254_F	291_L	0.699	1.00
221_E	224_V	0.697	1.00
14_V	134_Y	0.695	1.00
51_I	308_S	0.694	1.00
172_V	274_A	0.689	1.00
298_A	301_V	0.687	1.00
172_V	203_I	0.686	1.00
88_Q	134_Y	0.683	1.00
188_T	191_Y	0.681	1.00
172_V	201_I	0.678	1.00
132_E	136_A	0.676	1.00
273_Y	298_A	0.675	1.00
221_E	245_Y	0.671	1.00
56_L	317_I	0.670	1.00
220_N	223_S	0.670	1.00
71_H	100_L	0.669	1.00
223_S	227_L	0.665	1.00
161_V	198_Q	0.664	1.00
132_E	166_K	0.664	1.00
155_E	158_L	0.662	1.00
224_V	228_F	0.657	1.00
150_K	153_S	0.656	1.00
273_Y	294_G	0.655	1.00
221_E	255_R	0.654	1.00
68_D	94_D	0.652	1.00
101_A	104_E	0.651	1.00
243_G	255_R	0.651	1.00
103_T	113_I	0.648	1.00
26_V	305_H	0.647	1.00
248_S	254_F	0.646	1.00
127_P	155_E	0.643	1.00
193_S	197_E	0.641	1.00
82_T	313_T	0.640	1.00
111_C	114_L	0.639	1.00
209_F	227_L	0.637	1.00
164_A	171_V	0.637	1.00
141_L	160_A	0.636	1.00
22_D	43_G	0.636	1.00
293_Y	317_I	0.632	1.00
28_Y	31_P	0.632	1.00
285_K	290_A	0.632	1.00
109_E	112_S	0.630	1.00
104_E	114_L	0.629	1.00
56_L	279_Y	0.628	1.00
134_Y	138_A	0.627	1.00
110_E	113_I	0.627	1.00
50_A	84_V	0.627	1.00
87_T	134_Y	0.626	1.00
224_V	253_V	0.625	1.00
69_D	72_G	0.624	1.00
94_D	124_Y	0.616	1.00
88_Q	91_V	0.613	1.00
103_T	267_F	0.609	1.00
64_G	89_M	0.604	1.00
300_I	316_E	0.602	1.00
236_V	273_Y	0.595	1.00
273_Y	291_L	0.594	1.00
134_Y	137_N	0.593	1.00
191_Y	194_L	0.592	1.00
29_N	110_E	0.591	1.00
200_D	234_L	0.589	1.00
215_R	219_S	0.589	1.00
291_L	295_S	0.588	1.00
25_A	38_F	0.587	1.00
244_S	256_A	0.585	1.00
13_I	58_L	0.585	1.00
173_F	195_V	0.584	1.00
161_V	195_V	0.581	1.00
94_D	97_K	0.581	1.00
29_N	106_L	0.579	1.00
119_D	123_L	0.577	1.00
109_E	114_L	0.576	1.00
220_N	224_V	0.575	1.00
203_I	236_V	0.573	1.00
99_G	103_T	0.570	1.00
110_E	115_M	0.570	1.00
207_D	211_V	0.570	1.00
289_T	293_Y	0.569	1.00
228_F	248_S	0.566	1.00
284_G	290_A	0.565	1.00
190_V	194_L	0.563	1.00
300_I	317_I	0.562	1.00
101_A	115_M	0.562	1.00
125_L	129_E	0.561	1.00
287_I	290_A	0.560	1.00
215_R	223_S	0.559	1.00
56_L	275_S	0.556	1.00
42_V	308_S	0.556	1.00
241_V	260_K	0.556	1.00
110_E	114_L	0.548	1.00
125_L	130_V	0.544	1.00
202_V	235_V	0.544	1.00
174_E	271_D	0.543	1.00
15_A	60_A	0.543	1.00
127_P	156_A	0.543	1.00
139_K	169_V	0.541	1.00
15_A	53_S	0.541	1.00
127_P	131_S	0.541	1.00
110_E	116_Y	0.541	1.00
54_A	82_T	0.540	1.00
140_M	281_L	0.540	1.00
59_K	282_V	0.539	1.00
236_V	291_L	0.538	1.00
206_R	240_G	0.537	1.00
47_A	62_F	0.536	1.00
43_G	48_N	0.535	1.00
280_G	314_A	0.533	1.00
73_R	80_R	0.531	1.00
70_Q	77_S	0.530	1.00
158_L	161_V	0.529	1.00
45_S	176_D	0.527	1.00
128_S	131_S	0.527	1.00
106_L	112_S	0.527	1.00
25_A	35_T	0.524	1.00
209_F	220_N	0.523	1.00
79_M	86_T	0.522	1.00
171_V	199_S	0.520	1.00
228_F	235_V	0.520	1.00
275_S	279_Y	0.520	1.00
140_M	201_I	0.519	1.00
287_I	291_L	0.518	1.00
280_G	284_G	0.516	1.00
228_F	232_A	0.515	1.00
121_A	124_Y	0.514	1.00
79_M	84_V	0.514	1.00
19_A	79_M	0.512	1.00
109_E	116_Y	0.509	1.00
41_Y	309_E	0.508	1.00
41_Y	308_S	0.507	1.00
241_V	263_V	0.507	1.00
26_V	107_S	0.506	1.00
133_D	137_N	0.505	1.00
199_S	232_A	0.504	1.00
48_N	271_D	0.502	1.00
164_A	167_H	0.501	1.00
249_K	252_E	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
2qcvA	3	0.9785	100	0.189	Contact Map
3ljsA	2	0.9508	100	0.195	Contact Map
1tyyA	2	0.9046	100	0.197	Contact Map
3pl2A	2	0.9508	100	0.202	Contact Map
3iq0A	2	0.9508	100	0.205	Contact Map
3hj6A	2	0.8554	100	0.207	Contact Map
2v78A	5	0.9415	100	0.217	Contact Map
4du5A	2	0.9015	100	0.218	Contact Map
2rbcA	2	0.9138	100	0.22	Contact Map
2dcnA	5	0.9323	100	0.222	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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