KDGK - ECOLI - GREMLIN Contacts

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KDGK - 2-dehydro-3-deoxygluconokinase

UniProt:	P37647	Sequences: MSKKIAVIGECMIELSEKGADVKRGFGGDTLNTSVYIARQVDPAALTVHYVTALGTDSFSQQMLDAWHGENVDTSLTQRMENRLPGLYYIETDSTGERTFYYWRNEAAAKFWLESEQSAAICEELANFDYLYLSGISLAILSPTSREKLLSLLRECRANGGKVIFDNNYRPRLWASKEETQQVYQQMLECTDIAFLTLDDEDALWGQQPVEDVIARTHNAGVKEVVVKRGADSCLVSIAGEGLVDVPAVKLPKEKVIDTTAAGDSFSAGYLAVRLTGGSAEDAAKRGHLTASTVIQYRGAIIPREAMPA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12253
Length:	309 (270)
Sequences:	22320 (16550)
Seq/√Len:	1007.2

ECOLI - KDGK RBSK YDJH SQUV YEII PSUK YEGV PFKB K1PF FRLD INGK HLDE
BACSU - KDGK YDJE IOLC RBSK FRLD K1PF
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
46_L	272_A	3.093	1.00
132_Y	164_I	2.725	1.00
64_L	79_R	2.652	1.00
236_V	284_A	2.496	1.00
49_H	73_D	2.457	1.00
229_R	235_L	2.453	1.00
6_A	128_F	2.441	1.00
273_V	278_G	2.338	1.00
279_S	282_D	2.283	1.00
234_C	266_F	2.212	1.00
154_R	190_C	2.114	1.00
61_Q	79_R	2.079	1.00
53_A	80_M	2.010	1.00
37_I	46_L	2.007	1.00
218_H	237_S	2.003	1.00
198_L	229_R	1.969	1.00
39_R	70_E	1.953	1.00
273_V	286_R	1.900	1.00
164_I	271_L	1.897	1.00
244_V	281_E	1.895	1.00
156_C	161_G	1.893	1.00
7_V	34_S	1.882	1.00
130_Y	162_K	1.863	1.00
153_L	163_V	1.846	1.00
265_S	290_T	1.823	1.00
195_F	267_S	1.815	1.00
35_V	70_E	1.798	1.00
122_C	155_E	1.789	1.00
211_E	243_L	1.787	1.00
53_A	116_E	1.772	1.00
68_H	74_T	1.754	1.00
236_V	244_V	1.748	1.00
278_G	282_D	1.727	1.00
162_K	192_D	1.724	1.00
192_D	223_K	1.698	1.00
36_Y	268_A	1.685	1.00
150_L	186_Q	1.684	1.00
234_C	288_H	1.684	1.00
214_I	237_S	1.649	1.00
262_A	295_I	1.647	1.00
130_Y	164_I	1.631	1.00
64_L	68_H	1.629	1.00
66_A	69_G	1.625	1.00
235_L	245_D	1.624	1.00
249_V	289_L	1.611	1.00
229_R	245_D	1.600	1.00
65_D	69_G	1.599	1.00
291_A	295_I	1.592	1.00
193_I	224_E	1.586	1.00
150_L	154_R	1.577	1.00
270_Y	283_A	1.562	1.00
216_R	220_A	1.555	1.00
269_G	290_T	1.551	1.00
281_E	285_K	1.548	1.00
226_V	270_Y	1.511	1.00
5_I	37_I	1.506	1.00
37_I	272_A	1.495	1.00
166_D	228_K	1.490	1.00
11_C	52_T	1.485	1.00
155_E	159_N	1.481	1.00
151_S	154_R	1.474	1.00
130_Y	271_L	1.462	1.00
202_D	208_Q	1.460	1.00
236_V	280_A	1.460	1.00
126_A	159_N	1.456	1.00
24_R	62_Q	1.455	1.00
224_E	238_I	1.454	1.00
61_Q	65_D	1.449	1.00
216_R	219_N	1.438	1.00
151_S	155_E	1.435	1.00
56_T	61_Q	1.424	1.00
246_V	284_A	1.422	1.00
229_R	232_D	1.412	1.00
269_G	286_R	1.402	1.00
209_P	212_D	1.386	1.00
83_R	111_F	1.378	1.00
26_F	63_M	1.366	1.00
238_I	241_E	1.354	1.00
162_K	193_I	1.342	1.00
157_R	192_D	1.341	1.00
249_V	285_K	1.339	1.00
258_D	299_G	1.338	1.00
167_N	196_L	1.333	1.00
15_L	22_V	1.324	1.00
56_T	79_R	1.318	1.00
155_E	158_A	1.318	1.00
64_L	77_T	1.300	1.00
31_L	67_W	1.297	1.00
272_A	276_T	1.291	1.00
157_R	190_C	1.279	1.00
207_Q	216_R	1.278	1.00
60_S	85_P	1.278	1.00
191_T	194_A	1.276	1.00
211_E	215_A	1.273	1.00
47_T	73_D	1.266	1.00
215_A	219_N	1.260	1.00
218_H	239_A	1.260	1.00
251_L	296_Q	1.249	1.00
246_V	288_H	1.249	1.00
13_I	62_Q	1.212	1.00
26_F	66_A	1.212	1.00
80_M	83_R	1.205	1.00
114_E	151_S	1.194	1.00
224_E	274_R	1.189	1.00
66_A	70_E	1.187	1.00
113_L	116_E	1.179	1.00
162_K	223_K	1.173	1.00
234_C	284_A	1.172	1.00
270_Y	274_R	1.169	1.00
185_Q	220_A	1.167	1.00
293_T	297_Y	1.165	1.00
215_A	243_L	1.164	1.00
237_S	243_L	1.164	1.00
224_E	280_A	1.158	1.00
224_E	270_Y	1.155	1.00
269_G	287_G	1.155	1.00
228_K	266_F	1.153	1.00
282_D	285_K	1.144	1.00
195_F	228_K	1.142	1.00
215_A	237_S	1.133	1.00
273_V	283_A	1.130	1.00
38_A	72_V	1.121	1.00
62_Q	65_D	1.121	1.00
270_Y	287_G	1.114	1.00
249_V	292_S	1.110	1.00
229_R	233_S	1.108	1.00
256_V	295_I	1.104	1.00
201_E	227_V	1.102	1.00
40_Q	269_G	1.101	1.00
207_Q	212_D	1.101	1.00
61_Q	64_L	1.098	1.00
293_T	296_Q	1.096	1.00
133_L	163_V	1.089	1.00
249_V	288_H	1.085	1.00
33_T	132_Y	1.081	1.00
46_L	276_T	1.081	1.00
46_L	275_L	1.080	1.00
131_L	156_C	1.079	1.00
15_L	24_R	1.068	1.00
251_L	295_I	1.065	1.00
37_I	48_V	1.064	1.00
65_D	68_H	1.062	1.00
193_I	270_Y	1.049	1.00
256_V	259_T	1.037	1.00
58_S	61_Q	1.036	1.00
224_E	236_V	1.035	1.00
34_S	48_V	1.035	1.00
193_I	274_R	1.023	1.00
273_V	276_T	1.020	1.00
132_Y	271_L	1.014	1.00
36_Y	265_S	1.012	1.00
212_D	215_A	1.010	1.00
80_M	111_F	1.010	1.00
205_W	213_V	1.009	1.00
198_L	232_D	0.998	1.00
35_V	39_R	0.993	1.00
11_C	63_M	0.991	1.00
154_R	158_A	0.990	1.00
38_A	71_N	0.984	1.00
49_H	124_E	0.984	1.00
122_C	159_N	0.981	1.00
248_A	288_H	0.978	1.00
201_E	213_V	0.974	1.00
11_C	50_Y	0.972	1.00
56_T	82_N	0.971	1.00
223_K	239_A	0.970	1.00
131_L	161_G	0.959	1.00
49_H	128_F	0.958	1.00
270_Y	280_A	0.957	1.00
214_I	227_V	0.956	1.00
241_E	244_V	0.956	1.00
37_I	268_A	0.955	1.00
288_H	291_A	0.953	1.00
55_G	85_P	0.953	1.00
265_S	294_V	0.951	1.00
54_L	64_L	0.948	1.00
283_A	287_G	0.947	1.00
285_K	289_L	0.944	1.00
165_F	191_T	0.940	1.00
195_F	270_Y	0.937	1.00
123_E	126_A	0.931	1.00
8_I	131_L	0.930	1.00
132_Y	267_S	0.926	1.00
251_L	256_V	0.917	1.00
147_E	151_S	0.916	1.00
278_G	286_R	0.915	1.00
181_Q	185_Q	0.914	1.00
26_F	62_Q	0.914	1.00
272_A	286_R	0.913	1.00
74_T	77_T	0.911	1.00
128_F	161_G	0.909	1.00
62_Q	66_A	0.908	1.00
54_L	60_S	0.907	1.00
40_Q	290_T	0.906	1.00
64_L	74_T	0.903	1.00
15_L	87_L	0.903	1.00
54_L	77_T	0.902	1.00
49_H	76_L	0.900	1.00
6_A	51_V	0.895	1.00
17_E	89_Y	0.893	1.00
5_I	275_L	0.887	1.00
57_D	85_P	0.886	1.00
38_A	47_T	0.882	1.00
19_G	101_Y	0.878	1.00
16_S	25_G	0.874	1.00
166_D	195_F	0.872	1.00
15_L	59_F	0.866	1.00
198_L	202_D	0.864	1.00
241_E	281_E	0.862	1.00
256_V	296_Q	0.858	1.00
114_E	147_E	0.857	1.00
197_T	200_D	0.854	1.00
232_D	245_D	0.841	1.00
99_T	102_Y	0.838	1.00
125_L	128_F	0.837	1.00
11_C	31_L	0.836	1.00
78_Q	116_E	0.835	1.00
235_L	243_L	0.831	1.00
133_L	153_L	0.830	1.00
53_A	78_Q	0.830	1.00
196_L	201_E	0.823	1.00
63_M	85_P	0.822	1.00
7_V	30_T	0.821	1.00
255_K	296_Q	0.820	1.00
246_V	285_K	0.820	1.00
244_V	284_A	0.818	1.00
246_V	281_E	0.817	1.00
279_S	283_A	0.817	1.00
214_I	225_V	0.814	1.00
169_Y	180_T	0.812	1.00
233_S	248_A	0.812	1.00
133_L	149_L	0.812	1.00
274_R	283_A	0.812	1.00
31_L	301_I	0.809	1.00
54_L	79_R	0.806	1.00
251_L	292_S	0.805	1.00
188_L	191_T	0.805	1.00
33_T	267_S	0.801	1.00
150_L	190_C	0.797	1.00
12_M	86_G	0.797	1.00
8_I	152_L	0.794	1.00
215_A	218_H	0.794	1.00
265_S	269_G	0.794	1.00
289_L	293_T	0.791	1.00
144_T	147_E	0.790	1.00
122_C	158_A	0.789	1.00
154_R	186_Q	0.786	1.00
148_K	152_L	0.784	1.00
214_I	218_H	0.784	1.00
266_F	288_H	0.781	1.00
101_Y	105_N	0.774	1.00
166_D	196_L	0.770	1.00
125_L	161_G	0.769	1.00
91_E	99_T	0.766	1.00
164_I	195_F	0.766	1.00
64_L	78_Q	0.764	1.00
13_I	24_R	0.753	1.00
269_G	273_V	0.753	1.00
109_A	112_W	0.752	1.00
265_S	291_A	0.751	1.00
90_I	100_F	0.747	1.00
6_A	49_H	0.745	1.00
257_I	298_R	0.743	1.00
186_Q	189_E	0.741	1.00
183_V	186_Q	0.740	1.00
38_A	48_V	0.738	1.00
238_I	280_A	0.734	1.00
189_E	221_G	0.730	1.00
34_S	50_Y	0.726	1.00
49_H	75_S	0.726	1.00
291_A	294_V	0.719	1.00
212_D	216_R	0.719	1.00
211_E	245_D	0.713	1.00
153_L	190_C	0.710	1.00
250_K	255_K	0.707	1.00
288_H	292_S	0.704	1.00
13_I	59_F	0.700	1.00
24_R	59_F	0.699	1.00
91_E	101_Y	0.695	1.00
110_K	113_L	0.694	1.00
130_Y	275_L	0.686	1.00
135_G	165_F	0.685	1.00
5_I	130_Y	0.685	1.00
83_R	108_A	0.683	1.00
233_S	245_D	0.683	1.00
147_E	150_L	0.682	1.00
40_Q	272_A	0.680	1.00
231_A	250_K	0.680	1.00
99_T	103_W	0.680	1.00
57_D	60_S	0.679	1.00
66_A	301_I	0.677	1.00
40_Q	286_R	0.673	1.00
98_R	102_Y	0.672	1.00
131_L	152_L	0.670	1.00
238_I	244_V	0.669	1.00
146_R	183_V	0.668	1.00
189_E	220_A	0.668	1.00
99_T	105_N	0.667	1.00
122_C	126_A	0.663	1.00
266_F	284_A	0.663	1.00
182_Q	185_Q	0.662	1.00
59_F	87_L	0.660	1.00
226_V	236_V	0.658	1.00
201_E	217_T	0.658	1.00
35_V	301_I	0.657	1.00
185_Q	189_E	0.656	1.00
266_F	287_G	0.651	1.00
90_I	260_T	0.643	1.00
101_Y	104_R	0.638	1.00
29_D	168_N	0.638	1.00
109_A	113_L	0.636	1.00
156_C	163_V	0.635	1.00
124_E	128_F	0.635	1.00
52_T	77_T	0.633	1.00
6_A	124_E	0.633	1.00
114_E	148_K	0.633	1.00
278_G	283_A	0.629	1.00
211_E	235_L	0.625	1.00
210_V	229_R	0.624	1.00
211_E	214_I	0.616	1.00
34_S	72_V	0.615	1.00
218_H	238_I	0.614	1.00
58_S	62_Q	0.605	1.00
47_T	129_D	0.605	1.00
266_F	291_A	0.605	1.00
213_V	217_T	0.603	1.00
164_I	267_S	0.603	1.00
76_L	124_E	0.603	1.00
108_A	116_E	0.603	1.00
112_W	116_E	0.603	1.00
14_E	27_G	0.601	1.00
164_I	193_I	0.598	1.00
23_K	298_R	0.596	1.00
102_Y	105_N	0.593	1.00
226_V	266_F	0.587	1.00
210_V	214_I	0.586	1.00
211_E	237_S	0.586	1.00
93_D	97_E	0.585	1.00
37_I	271_L	0.580	1.00
284_A	288_H	0.579	1.00
214_I	243_L	0.579	1.00
210_V	213_V	0.572	1.00
152_L	155_E	0.568	1.00
98_R	101_Y	0.568	1.00
218_H	240_G	0.567	1.00
218_H	221_G	0.567	1.00
195_F	226_V	0.567	1.00
75_S	78_Q	0.567	1.00
268_A	272_A	0.566	1.00
75_S	124_E	0.565	1.00
27_G	32_N	0.565	1.00
163_V	191_T	0.564	1.00
146_R	150_L	0.564	1.00
207_Q	213_V	0.561	1.00
7_V	48_V	0.558	1.00
234_C	246_V	0.555	1.00
61_Q	68_H	0.554	1.00
40_Q	268_A	0.554	1.00
282_D	286_R	0.554	1.00
182_Q	186_Q	0.554	1.00
31_L	50_Y	0.551	1.00
274_R	277_G	0.550	1.00
205_W	216_R	0.550	1.00
100_F	104_R	0.547	1.00
15_L	89_Y	0.545	1.00
47_T	275_L	0.540	1.00
88_Y	102_Y	0.540	1.00
129_D	161_G	0.539	1.00
67_W	72_V	0.536	1.00
150_L	153_L	0.536	1.00
7_V	37_I	0.535	1.00
33_T	37_I	0.534	1.00
166_D	264_D	0.534	1.00
130_Y	193_I	0.530	1.00
218_H	222_V	0.530	1.00
201_E	210_V	0.527	1.00
10_E	168_N	0.527	1.00
194_A	225_V	0.525	1.00
260_T	300_A	0.525	1.00
17_E	22_V	0.524	1.00
38_A	70_E	0.523	1.00
221_G	225_V	0.523	1.00
30_T	34_S	0.522	1.00
117_Q	121_I	0.521	1.00
246_V	249_V	0.520	1.00
51_V	121_I	0.520	1.00
129_D	162_K	0.516	1.00
33_T	268_A	0.516	1.00
191_T	222_V	0.512	1.00
231_A	256_V	0.511	1.00
164_I	274_R	0.511	1.00
45_A	48_V	0.510	1.00
153_L	187_M	0.510	1.00
5_I	46_L	0.509	1.00
199_D	203_A	0.508	1.00
130_Y	274_R	0.508	1.00
33_T	271_L	0.508	1.00
90_I	98_R	0.507	1.00
165_F	184_Y	0.506	1.00
156_C	159_N	0.505	1.00
201_E	237_S	0.505	1.00
26_F	301_I	0.502	1.00
7_V	50_Y	0.502	1.00
198_L	230_G	0.502	1.00
135_G	139_A	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
3ljsA	2	0.9482	100	0.179	Contact Map
3lhxA	2	0.9547	100	0.194	Contact Map
1tyyA	2	0.9223	100	0.195	Contact Map
3iq0A	2	0.945	100	0.202	Contact Map
4du5A	2	0.9094	100	0.203	Contact Map
3hj6A	2	0.8738	100	0.203	Contact Map
3pl2A	2	0.9547	100	0.206	Contact Map
4k8kA	2	0.9385	100	0.21	Contact Map
2qcvA	3	0.945	100	0.211	Contact Map
2rbcA	2	0.9061	100	0.216	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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