KDGK - BACSU - GREMLIN Contacts

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KDGK - 2-dehydro-3-deoxygluconokinase

UniProt:	P50845	Sequences: MKLDAVTFGESMAMFYANEYGGLHEVSTFSKGLAGAESNVACGLARLGFRMGWMSKVGNDQLGTFILQELKKEGVDVSRVIRSQDENPTGLLLKSKVKEGDPQVTYYRKNSAASTLTTAEYPRDYFQCAGHLHVTGIPPALSAEMKDFTYHVMNDMRNAGKTISFDPNVRPSLWPDQATMVHTINDLAGLADWFFPGIAEGELLTGEKTPEGIADYYLKKGASFVAIKLGKEGAYFKTGTSEGFLEGCRVDRVVDTVGAGDGFAVGVISGILDGLSYKDAVQRGNAIGALQVQAPGDMDGLPTREKLASFLSAQRTVHQKKGDY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	324 (282)
Sequences:	22368 (16503)
Seq/√Len:	982.7

ECOLI - RBSK KDGK YDJH SQUV YEGV YEII K1PF PFKB PSUK FRLD INGK HLDE
BACSU - KDGK IOLC YDJE 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
49_F	269_S	3.241	1.00
229_L	235_Y	2.625	1.00
67_L	82_R	2.597	1.00
52_G	76_D	2.569	1.00
236_F	281_V	2.490	1.00
6_V	129_A	2.434	1.00
270_G	275_L	2.405	1.00
133_H	164_S	2.332	1.00
276_S	279_D	2.246	1.00
234_A	263_F	2.186	1.00
154_N	190_L	2.120	1.00
243_G	278_K	2.061	1.00
64_T	82_R	2.058	1.00
198_I	229_L	2.014	1.00
218_L	237_K	2.005	1.00
270_G	283_R	1.973	1.00
71_K	77_V	1.958	1.00
42_C	73_E	1.949	1.00
164_S	268_I	1.941	1.00
162_T	192_D	1.929	1.00
56_K	83_S	1.917	1.00
153_M	163_I	1.904	1.00
303_T	306_K	1.891	1.00
156_M	161_K	1.859	1.00
44_L	49_F	1.854	1.00
7_T	41_A	1.853	1.00
131_H	162_T	1.841	1.00
56_K	120_E	1.836	1.00
83_S	86_E	1.820	1.00
123_R	155_D	1.814	1.00
46_R	73_E	1.810	1.00
214_A	237_K	1.797	1.00
262_G	287_I	1.791	1.00
235_Y	244_F	1.777	1.00
195_F	264_A	1.759	1.00
275_L	279_D	1.746	1.00
43_G	265_V	1.735	1.00
150_Y	186_D	1.728	1.00
273_D	304_R	1.678	1.00
192_D	223_S	1.675	1.00
193_W	224_F	1.650	1.00
226_A	267_V	1.650	1.00
69_E	72_K	1.648	1.00
67_L	71_K	1.647	1.00
234_A	285_N	1.645	1.00
224_F	238_T	1.645	1.00
131_H	164_S	1.607	1.00
278_K	282_Q	1.605	1.00
267_V	280_A	1.586	1.00
216_Y	220_K	1.583	1.00
229_L	232_E	1.574	1.00
87_N	115_T	1.571	1.00
236_F	243_G	1.570	1.00
155_D	159_A	1.569	1.00
266_G	287_I	1.569	1.00
288_G	292_V	1.567	1.00
5_A	44_L	1.535	1.00
248_C	286_A	1.528	1.00
236_F	277_Y	1.522	1.00
150_Y	154_N	1.522	1.00
216_Y	219_K	1.521	1.00
31_K	65_F	1.512	1.00
131_H	268_I	1.512	1.00
259_A	292_V	1.509	1.00
68_Q	72_K	1.501	1.00
11_S	55_S	1.495	1.00
229_L	244_F	1.486	1.00
151_H	154_N	1.468	1.00
294_A	306_K	1.439	1.00
151_H	155_D	1.433	1.00
202_E	208_K	1.423	1.00
44_L	269_S	1.415	1.00
245_L	281_V	1.410	1.00
238_T	241_S	1.398	1.00
155_D	158_N	1.391	1.00
245_L	285_N	1.390	1.00
269_S	273_D	1.387	1.00
207_E	216_Y	1.381	1.00
33_L	66_I	1.378	1.00
162_T	193_W	1.377	1.00
59_N	82_R	1.377	1.00
266_G	283_R	1.374	1.00
64_T	68_Q	1.356	1.00
69_E	73_E	1.355	1.00
248_C	282_Q	1.344	1.00
59_N	64_T	1.343	1.00
209_T	212_G	1.322	1.00
38_S	70_L	1.303	1.00
127_Q	159_A	1.297	1.00
50_R	76_D	1.295	1.00
157_R	190_L	1.294	1.00
117_T	120_E	1.275	1.00
157_R	192_D	1.269	1.00
211_E	215_D	1.266	1.00
33_L	69_E	1.265	1.00
118_T	151_H	1.261	1.00
15_F	29_F	1.257	1.00
65_F	68_Q	1.252	1.00
185_N	220_K	1.251	1.00
255_D	296_G	1.248	1.00
224_F	277_Y	1.247	1.00
13_A	65_F	1.238	1.00
218_L	239_G	1.238	1.00
250_V	293_Q	1.238	1.00
211_E	242_E	1.220	1.00
63_G	89_T	1.216	1.00
270_G	280_A	1.213	1.00
191_A	194_F	1.208	1.00
270_G	273_D	1.201	1.00
167_P	196_P	1.196	1.00
234_A	281_V	1.195	1.00
67_L	80_V	1.190	1.00
126_F	129_A	1.189	1.00
49_F	272_L	1.181	1.00
207_E	212_G	1.181	1.00
215_D	219_K	1.176	1.00
215_D	237_K	1.174	1.00
224_F	271_I	1.167	1.00
83_S	87_N	1.159	1.00
64_T	67_L	1.144	1.00
49_F	273_D	1.140	1.00
162_T	223_S	1.133	1.00
267_V	284_G	1.130	1.00
290_L	293_Q	1.126	1.00
132_L	156_M	1.126	1.00
253_V	292_V	1.120	1.00
266_G	284_G	1.114	1.00
248_C	285_N	1.113	1.00
166_D	228_K	1.113	1.00
154_N	158_N	1.112	1.00
15_F	31_K	1.108	1.00
133_H	268_I	1.105	1.00
224_F	236_F	1.105	1.00
290_L	294_A	1.100	1.00
41_A	51_M	1.099	1.00
279_D	282_Q	1.098	1.00
253_V	256_T	1.098	1.00
267_V	271_I	1.094	1.00
52_G	129_A	1.090	1.00
65_F	69_E	1.089	1.00
224_F	267_V	1.089	1.00
193_W	271_I	1.086	1.00
229_L	233_G	1.080	1.00
44_L	51_M	1.077	1.00
123_R	159_A	1.075	1.00
47_L	266_G	1.070	1.00
40_V	133_H	1.068	1.00
11_S	66_I	1.067	1.00
45_A	75_V	1.067	1.00
201_G	227_I	1.065	1.00
134_V	163_I	1.064	1.00
195_F	228_K	1.051	1.00
165_F	191_A	1.049	1.00
248_C	289_A	1.048	1.00
250_V	292_V	1.043	1.00
59_N	86_E	1.034	1.00
52_G	79_R	1.033	1.00
198_I	232_E	1.029	1.00
193_W	267_V	1.029	1.00
212_G	215_D	1.027	1.00
61_Q	64_T	1.027	1.00
45_A	74_G	1.024	1.00
42_C	46_R	1.020	1.00
228_K	263_F	1.016	1.00
67_L	77_V	1.013	1.00
15_F	91_L	1.004	1.00
68_Q	71_K	1.003	1.00
250_V	253_V	1.000	1.00
262_G	291_Q	0.998	1.00
132_L	161_K	0.996	1.00
201_G	213_I	0.995	1.00
237_K	242_E	0.994	1.00
267_V	277_Y	0.991	1.00
83_S	115_T	0.986	1.00
33_L	65_F	0.981	1.00
11_S	38_S	0.980	1.00
254_V	295_P	0.974	1.00
282_Q	286_A	0.960	1.00
214_A	227_I	0.959	1.00
147_D	151_H	0.959	1.00
245_L	282_Q	0.958	1.00
285_N	288_G	0.951	1.00
44_L	265_V	0.949	1.00
8_F	132_L	0.944	1.00
43_G	262_G	0.941	1.00
129_A	161_K	0.937	1.00
134_V	153_M	0.936	1.00
52_G	125_Y	0.935	1.00
113_A	116_L	0.934	1.00
122_P	151_H	0.934	1.00
104_V	107_Y	0.931	1.00
181_V	185_N	0.931	1.00
133_H	264_A	0.925	1.00
280_A	284_G	0.923	1.00
241_S	278_K	0.923	1.00
11_S	53_W	0.919	1.00
57_V	67_L	0.917	1.00
223_S	239_G	0.915	1.00
195_F	267_V	0.908	1.00
5_A	272_L	0.903	1.00
77_V	80_V	0.903	1.00
57_V	63_G	0.902	1.00
47_L	287_I	0.901	1.00
247_G	285_N	0.901	1.00
56_K	81_I	0.893	1.00
269_S	304_R	0.892	1.00
6_V	54_M	0.892	1.00
269_S	283_R	0.891	1.00
275_L	283_R	0.889	1.00
238_T	277_Y	0.888	1.00
15_F	62_L	0.886	1.00
271_I	280_A	0.886	1.00
95_S	103_Q	0.881	1.00
45_A	50_R	0.873	1.00
198_I	202_E	0.873	1.00
150_Y	190_L	0.872	1.00
67_L	81_I	0.868	1.00
215_D	242_E	0.866	1.00
16_Y	32_G	0.863	1.00
189_G	221_G	0.861	1.00
134_V	149_T	0.856	1.00
31_K	62_L	0.853	1.00
66_I	89_T	0.853	1.00
58_G	89_T	0.852	1.00
276_S	280_A	0.851	1.00
154_N	186_D	0.842	1.00
253_V	293_Q	0.837	1.00
205_T	213_I	0.837	1.00
215_D	218_L	0.835	1.00
8_F	152_V	0.832	1.00
57_V	80_V	0.831	1.00
126_F	161_K	0.825	1.00
45_A	51_M	0.821	1.00
146_K	183_T	0.821	1.00
144_E	147_D	0.819	1.00
186_D	189_G	0.817	1.00
212_G	216_Y	0.816	1.00
52_G	78_S	0.807	1.00
263_F	285_N	0.806	1.00
7_T	37_E	0.803	1.00
6_V	52_G	0.801	1.00
245_L	278_K	0.795	1.00
211_E	214_A	0.792	1.00
266_G	270_G	0.789	1.00
13_A	31_K	0.788	1.00
124_D	127_Q	0.787	1.00
214_A	225_V	0.787	1.00
57_V	82_R	0.784	1.00
210_P	229_L	0.778	1.00
40_V	264_A	0.773	1.00
188_A	191_A	0.768	1.00
232_E	244_F	0.768	1.00
233_G	247_G	0.766	1.00
181_V	184_I	0.764	1.00
148_F	152_V	0.764	1.00
81_I	120_E	0.764	1.00
38_S	298_M	0.763	1.00
286_A	290_L	0.760	1.00
196_P	201_G	0.759	1.00
166_D	195_F	0.756	1.00
12_M	90_G	0.754	1.00
5_A	131_H	0.753	1.00
262_G	288_G	0.747	1.00
214_A	218_L	0.745	1.00
239_G	242_E	0.739	1.00
131_H	272_L	0.738	1.00
42_C	298_M	0.737	1.00
79_R	82_R	0.736	1.00
250_V	289_A	0.735	1.00
102_P	106_Y	0.734	1.00
103_Q	107_Y	0.733	1.00
60_D	89_T	0.732	1.00
41_A	53_W	0.732	1.00
94_K	104_V	0.730	1.00
79_R	125_Y	0.729	1.00
285_N	289_A	0.728	1.00
47_L	283_R	0.724	1.00
123_R	158_N	0.720	1.00
13_A	62_L	0.714	1.00
182_H	185_N	0.712	1.00
197_G	200_E	0.712	1.00
189_G	220_K	0.712	1.00
201_G	217_Y	0.705	1.00
136_G	165_F	0.705	1.00
238_T	243_G	0.705	1.00
125_Y	129_A	0.702	1.00
62_L	91_L	0.699	1.00
123_R	127_Q	0.697	1.00
69_E	298_M	0.697	1.00
146_K	150_Y	0.695	1.00
164_S	195_F	0.691	1.00
30_S	295_P	0.690	1.00
132_L	152_V	0.690	1.00
153_M	190_L	0.688	1.00
226_A	236_F	0.685	1.00
6_V	125_Y	0.682	1.00
147_D	150_Y	0.680	1.00
251_D	293_Q	0.680	1.00
41_A	75_V	0.679	1.00
210_P	213_I	0.679	1.00
180_M	183_T	0.678	1.00
166_D	196_P	0.677	1.00
47_L	269_S	0.675	1.00
164_S	193_W	0.674	1.00
61_Q	65_F	0.673	1.00
263_F	284_G	0.671	1.00
251_D	254_V	0.671	1.00
262_G	266_G	0.671	1.00
211_E	235_Y	0.669	1.00
283_R	307_L	0.669	1.00
283_R	304_R	0.668	1.00
263_F	288_G	0.665	1.00
233_G	244_F	0.664	1.00
288_G	291_Q	0.662	1.00
103_Q	106_Y	0.659	1.00
95_S	105_T	0.658	1.00
213_I	217_Y	0.657	1.00
211_E	237_K	0.649	1.00
231_K	249_R	0.647	1.00
47_L	307_L	0.646	1.00
183_T	186_D	0.644	1.00
116_L	121_Y	0.637	1.00
164_S	264_A	0.636	1.00
97_V	101_D	0.633	1.00
218_L	238_T	0.630	1.00
275_L	280_A	0.630	1.00
185_N	189_G	0.629	1.00
290_L	306_K	0.629	1.00
125_Y	128_C	0.628	1.00
243_G	281_V	0.627	1.00
83_S	120_E	0.626	1.00
118_T	147_D	0.624	1.00
211_E	244_F	0.620	1.00
210_P	214_A	0.618	1.00
20_Y	97_V	0.615	1.00
59_N	83_S	0.612	1.00
101_D	104_V	0.610	1.00
119_A	122_P	0.609	1.00
192_D	224_F	0.608	1.00
55_S	80_V	0.607	1.00
94_K	257_V	0.606	1.00
78_S	125_Y	0.602	1.00
156_M	163_I	0.602	1.00
101_D	105_T	0.602	1.00
234_A	245_L	0.601	1.00
50_R	272_L	0.598	1.00
199_A	203_L	0.597	1.00
226_A	263_F	0.595	1.00
290_L	307_L	0.589	1.00
195_F	226_A	0.588	1.00
238_T	242_E	0.588	1.00
26_V	105_T	0.588	1.00
263_F	281_V	0.587	1.00
281_V	285_N	0.582	1.00
73_E	303_T	0.581	1.00
207_E	213_I	0.574	1.00
279_D	283_R	0.569	1.00
153_M	187_L	0.565	1.00
194_F	225_V	0.565	1.00
274_G	280_A	0.563	1.00
218_L	240_T	0.563	1.00
88_P	107_Y	0.562	1.00
182_H	186_D	0.562	1.00
235_Y	242_E	0.561	1.00
198_I	230_G	0.560	1.00
70_L	77_V	0.560	1.00
277_Y	280_A	0.559	1.00
100_G	104_V	0.559	1.00
70_L	75_V	0.558	1.00
226_A	281_V	0.554	1.00
102_P	105_T	0.552	1.00
50_R	130_G	0.551	1.00
287_I	307_L	0.551	1.00
130_G	161_K	0.547	1.00
18_N	28_T	0.545	1.00
44_L	268_I	0.545	1.00
201_G	210_P	0.543	1.00
116_L	120_E	0.542	1.00
87_N	112_A	0.541	1.00
90_G	95_S	0.538	1.00
7_T	44_L	0.537	1.00
38_S	53_W	0.537	1.00
94_K	102_P	0.536	1.00
150_Y	153_M	0.536	1.00
270_G	304_R	0.535	1.00
107_Y	111_S	0.534	1.00
40_V	268_I	0.534	1.00
118_T	148_F	0.534	1.00
15_F	93_L	0.533	1.00
45_A	73_E	0.532	1.00
163_I	191_A	0.532	1.00
11_S	70_L	0.531	1.00
152_V	155_D	0.530	1.00
218_L	225_V	0.530	1.00
7_T	51_M	0.529	1.00
118_T	122_P	0.529	1.00
150_Y	183_T	0.527	1.00
223_S	238_T	0.526	1.00
53_W	70_L	0.526	1.00
270_G	279_D	0.526	1.00
112_A	115_T	0.524	1.00
131_H	271_I	0.524	1.00
265_V	269_S	0.523	1.00
270_G	274_G	0.522	1.00
32_G	298_M	0.521	1.00
231_K	253_V	0.518	1.00
145_M	148_F	0.517	1.00
191_A	222_A	0.515	1.00
165_F	187_L	0.515	1.00
60_D	63_G	0.513	1.00
245_L	248_C	0.511	1.00
88_P	91_L	0.510	1.00
14_M	34_A	0.509	1.00
257_V	297_D	0.508	1.00
218_L	222_A	0.508	1.00
17_A	20_Y	0.508	1.00
188_A	222_A	0.508	1.00
108_R	114_S	0.508	1.00
131_H	193_W	0.507	1.00
19_E	22_G	0.506	1.00
130_G	272_L	0.503	1.00
205_T	216_Y	0.500	1.00
179_T	183_T	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	0.9506	100	0.183	Contact Map
2v78A	5	0.9475	100	0.192	Contact Map
4du5A	2	0.9074	100	0.197	Contact Map
2dcnA	5	0.9383	100	0.197	Contact Map
3iq0A	2	0.9475	100	0.2	Contact Map
1tyyA	2	0.9074	100	0.205	Contact Map
3pl2A	2	0.9506	100	0.206	Contact Map
3ktnA	5	0.9815	100	0.21	Contact Map
1v1aA	5	0.9228	100	0.212	Contact Map
3hj6A	2	0.8549	100	0.212	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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