KDGK - SULSO - GREMLIN Contacts

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KDGK - 2-dehydro-3-deoxygluconokinase/2-dehydro-3-deoxygalactonokinase

UniProt:	Q97U29	Sequences: MVDVIALGEPLIQFNSFNPGPLRFVNYFEKHVAGSELNFCIAVVRNHLSCSLIARVGNDEFGKNIIEYSRAQGIDTSHIKVDNESFTGIYFIQRGYPIPMKSELVYYRKGSAGSRLSPEDINENYVRNSRLVHSTGITLAISDNAKEAVIKAFELAKSRSLDTNIRPKLWSSLEKAKETILSILKKYDIEVLITDPDDTKILLDVTDPDEAYRKYKELGVKVLLYKLGSKGAIAYKDNVKAFKDAYKVPVEDPTGAGDAMAGTFVSLYLQGKDIEYSLAHGIAASTLVITVRGDNELTPTLEDAERFLNEFKT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	313 (280)
Sequences:	22457 (16713)
Seq/√Len:	998.8

ECOLI - SQUV RBSK YDJH PSUK YEII KDGK YEGV PFKB K1PF FRLD INGK HLDE
BACSU - KDGK IOLC YDJE 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
48_L	266_S	3.304	1.00
66_I	81_V	2.687	1.00
227_L	233_I	2.639	1.00
51_S	75_D	2.629	1.00
234_A	278_L	2.537	1.00
5_I	129_S	2.522	1.00
267_L	272_K	2.473	1.00
273_D	276_Y	2.276	1.00
232_A	260_M	2.243	1.00
154_E	186_K	2.238	1.00
241_A	275_E	2.112	1.00
216_K	235_Y	2.085	1.00
63_K	81_V	2.071	1.00
196_P	227_L	2.048	1.00
95_G	99_P	2.012	1.00
58_N	83_N	2.010	1.00
267_L	280_H	2.006	1.00
55_R	82_D	1.993	1.00
70_R	76_T	1.982	1.00
41_I	72_Q	1.952	1.00
300_T	303_D	1.931	1.00
55_R	120_D	1.872	1.00
45_R	72_Q	1.862	1.00
6_A	40_C	1.860	1.00
233_I	242_F	1.857	1.00
212_Y	235_Y	1.851	1.00
209_D	240_K	1.847	1.00
43_V	48_L	1.844	1.00
259_A	284_A	1.824	1.00
272_K	276_Y	1.788	1.00
193_I	261_A	1.770	1.00
150_I	182_S	1.767	1.00
133_H	164_N	1.766	1.00
42_A	262_G	1.749	1.00
123_E	155_L	1.734	1.00
68_Y	71_A	1.724	1.00
270_Q	301_L	1.715	1.00
164_N	265_V	1.715	1.00
232_A	282_I	1.694	1.00
222_V	236_K	1.667	1.00
66_I	70_R	1.666	1.00
188_D	221_K	1.664	1.00
234_A	241_A	1.662	1.00
189_I	222_V	1.624	1.00
264_F	277_S	1.619	1.00
263_T	284_A	1.614	1.00
224_L	264_F	1.612	1.00
275_E	279_A	1.603	1.00
153_F	163_T	1.600	1.00
155_L	159_R	1.597	1.00
227_L	230_K	1.596	1.00
246_Y	283_A	1.591	1.00
285_S	289_I	1.573	1.00
67_E	71_A	1.563	1.00
150_I	154_E	1.552	1.00
256_A	289_I	1.550	1.00
227_L	242_F	1.533	1.00
234_A	274_I	1.517	1.00
85_S	115_R	1.515	1.00
162_D	188_D	1.513	1.00
131_L	162_D	1.512	1.00
291_V	303_D	1.501	1.00
4_V	43_V	1.501	1.00
30_K	64_N	1.492	1.00
43_V	266_S	1.491	1.00
10_P	54_A	1.491	1.00
151_K	154_E	1.462	1.00
131_L	265_V	1.455	1.00
151_K	155_L	1.446	1.00
214_K	217_E	1.428	1.00
236_K	239_V	1.426	1.00
32_V	65_I	1.415	1.00
243_K	278_L	1.406	1.00
263_T	280_H	1.400	1.00
58_N	81_V	1.399	1.00
127_R	159_R	1.395	1.00
58_N	63_K	1.390	1.00
243_K	282_I	1.373	1.00
207_D	210_E	1.372	1.00
266_S	270_Q	1.371	1.00
155_L	158_S	1.368	1.00
63_K	67_E	1.366	1.00
68_Y	72_Q	1.364	1.00
205_V	214_K	1.358	1.00
246_Y	279_A	1.348	1.00
49_S	75_D	1.340	1.00
37_L	69_S	1.331	1.00
252_D	293_G	1.324	1.00
209_D	213_R	1.301	1.00
157_K	186_K	1.288	1.00
14_F	28_F	1.271	1.00
12_I	64_N	1.268	1.00
213_R	235_Y	1.266	1.00
157_K	188_D	1.264	1.00
117_S	120_D	1.264	1.00
248_V	290_T	1.263	1.00
64_N	67_E	1.252	1.00
222_V	274_I	1.247	1.00
267_L	277_S	1.236	1.00
156_A	161_L	1.234	1.00
213_R	217_E	1.231	1.00
222_V	268_Y	1.225	1.00
267_L	270_Q	1.222	1.00
118_P	151_K	1.220	1.00
32_V	68_Y	1.209	1.00
232_A	278_L	1.207	1.00
235_Y	240_K	1.198	1.00
187_Y	192_L	1.194	1.00
66_I	79_I	1.183	1.00
131_L	164_N	1.182	1.00
132_V	156_A	1.181	1.00
48_L	269_L	1.176	1.00
264_F	281_G	1.168	1.00
63_K	66_I	1.168	1.00
162_D	166_R	1.167	1.00
82_D	85_S	1.167	1.00
250_V	289_I	1.160	1.00
62_G	87_T	1.151	1.00
287_L	290_T	1.147	1.00
287_L	291_V	1.145	1.00
48_L	270_Q	1.145	1.00
166_R	226_K	1.144	1.00
133_H	265_V	1.136	1.00
213_R	240_K	1.136	1.00
276_Y	279_A	1.135	1.00
222_V	264_F	1.133	1.00
40_C	50_C	1.131	1.00
246_Y	286_T	1.122	1.00
263_T	281_G	1.116	1.00
51_S	129_S	1.114	1.00
250_V	253_P	1.112	1.00
181_L	218_L	1.108	1.00
189_I	268_Y	1.103	1.00
227_L	231_G	1.099	1.00
14_F	30_K	1.098	1.00
205_V	210_E	1.096	1.00
44_V	74_I	1.094	1.00
222_V	234_A	1.093	1.00
264_F	268_Y	1.089	1.00
64_N	68_Y	1.087	1.00
193_I	226_K	1.084	1.00
39_F	133_H	1.082	1.00
246_Y	282_I	1.082	1.00
199_T	225_Y	1.078	1.00
43_V	50_C	1.074	1.00
46_N	263_T	1.066	1.00
10_P	65_I	1.060	1.00
248_V	289_I	1.056	1.00
41_I	45_R	1.047	1.00
160_S	166_R	1.041	1.00
60_E	63_K	1.040	1.00
226_K	260_M	1.039	1.00
210_E	213_R	1.037	1.00
196_P	230_K	1.034	1.00
212_Y	225_Y	1.030	1.00
214_K	218_L	1.029	1.00
122_N	151_K	1.026	1.00
154_E	158_S	1.020	1.00
103_E	106_Y	1.019	1.00
243_K	279_A	1.018	1.00
44_V	73_G	1.016	1.00
189_I	264_F	1.015	1.00
51_S	78_H	1.013	1.00
67_E	70_R	1.010	1.00
259_A	288_V	1.009	1.00
162_D	221_K	1.009	1.00
162_D	189_I	1.009	1.00
199_T	211_A	1.007	1.00
66_I	76_T	1.006	1.00
51_S	125_Y	0.996	1.00
32_V	64_N	0.990	1.00
14_F	89_I	0.986	1.00
134_S	153_F	0.983	1.00
133_H	261_A	0.976	1.00
264_F	274_I	0.975	1.00
42_A	259_A	0.967	1.00
82_D	115_R	0.965	1.00
279_A	283_A	0.961	1.00
123_E	159_R	0.959	1.00
7_L	132_V	0.953	1.00
43_V	262_G	0.953	1.00
10_P	37_L	0.939	1.00
56_V	66_I	0.937	1.00
56_V	62_G	0.935	1.00
10_P	52_L	0.932	1.00
193_I	264_F	0.929	1.00
147_E	151_K	0.928	1.00
251_E	292_R	0.927	1.00
245_A	282_I	0.923	1.00
132_V	161_L	0.918	1.00
277_S	281_G	0.917	1.00
76_T	79_I	0.915	1.00
272_K	280_H	0.915	1.00
266_S	301_L	0.912	1.00
14_F	61_F	0.912	1.00
282_I	285_S	0.911	1.00
4_V	269_L	0.905	1.00
185_K	219_G	0.904	1.00
266_S	280_H	0.901	1.00
268_Y	277_S	0.901	1.00
126_V	129_S	0.900	1.00
55_R	80_K	0.897	1.00
166_R	170_W	0.897	1.00
236_K	274_I	0.896	1.00
5_I	53_I	0.896	1.00
102_S	106_Y	0.896	1.00
56_V	79_I	0.891	1.00
182_S	185_K	0.891	1.00
46_N	284_A	0.890	1.00
203_L	211_A	0.882	1.00
239_V	275_E	0.880	1.00
167_P	194_T	0.880	1.00
250_V	290_T	0.875	1.00
134_S	163_T	0.874	1.00
44_V	49_S	0.874	1.00
196_P	200_K	0.870	1.00
124_N	127_R	0.860	1.00
6_A	36_E	0.860	1.00
25_V	105_V	0.857	1.00
243_K	275_E	0.856	1.00
210_E	214_K	0.853	1.00
51_S	77_S	0.852	1.00
66_I	80_K	0.848	1.00
233_I	240_K	0.846	1.00
263_T	267_L	0.841	1.00
7_L	152_A	0.840	1.00
213_R	216_K	0.839	1.00
44_V	50_C	0.838	1.00
154_E	182_S	0.838	1.00
273_D	277_S	0.838	1.00
15_N	31_H	0.838	1.00
30_K	61_F	0.838	1.00
57_G	87_T	0.833	1.00
134_S	149_V	0.827	1.00
5_I	51_S	0.815	1.00
12_I	30_K	0.802	1.00
260_M	282_I	0.801	1.00
93_Q	103_E	0.801	1.00
113_G	116_L	0.796	1.00
249_P	290_T	0.796	1.00
150_I	186_K	0.796	1.00
11_L	88_G	0.796	1.00
184_L	187_Y	0.795	1.00
231_G	245_A	0.794	1.00
56_V	81_V	0.793	1.00
212_Y	223_L	0.790	1.00
65_I	87_T	0.786	1.00
212_Y	216_K	0.786	1.00
59_D	87_T	0.783	1.00
216_K	237_D	0.778	1.00
148_A	152_A	0.776	1.00
230_K	242_F	0.773	1.00
160_S	164_N	0.768	1.00
39_F	261_A	0.766	1.00
132_V	152_A	0.765	1.00
103_E	107_Y	0.765	1.00
236_K	241_A	0.763	1.00
248_V	286_T	0.761	1.00
40_C	52_L	0.757	1.00
131_L	269_L	0.757	1.00
37_L	295_N	0.756	1.00
46_N	280_H	0.756	1.00
194_T	199_T	0.754	1.00
283_A	287_L	0.750	1.00
241_A	278_L	0.747	1.00
88_G	93_Q	0.744	1.00
123_E	158_S	0.741	1.00
41_I	295_N	0.739	1.00
259_A	285_S	0.738	1.00
282_I	286_T	0.732	1.00
12_I	61_F	0.732	1.00
259_A	263_T	0.720	1.00
80_K	120_D	0.716	1.00
104_L	107_Y	0.713	1.00
224_L	234_A	0.712	1.00
68_Y	295_N	0.712	1.00
229_S	247_K	0.711	1.00
195_D	198_D	0.707	1.00
165_I	187_Y	0.704	1.00
93_Q	105_V	0.701	1.00
260_M	281_G	0.701	1.00
209_D	235_Y	0.700	1.00
209_D	242_F	0.700	1.00
92_I	104_L	0.698	1.00
95_G	101_K	0.697	1.00
78_H	125_Y	0.697	1.00
216_K	236_K	0.695	1.00
199_T	215_Y	0.689	1.00
118_P	147_E	0.688	1.00
101_K	105_V	0.688	1.00
61_F	89_I	0.685	1.00
260_M	285_S	0.684	1.00
147_E	150_I	0.683	1.00
60_E	64_N	0.683	1.00
161_L	166_R	0.681	1.00
208_P	227_L	0.681	1.00
236_K	240_K	0.676	1.00
285_S	288_V	0.671	1.00
46_N	304_A	0.666	1.00
161_L	164_N	0.665	1.00
129_S	161_L	0.665	1.00
40_C	74_I	0.664	1.00
231_G	242_F	0.664	1.00
4_V	131_L	0.664	1.00
29_E	292_R	0.659	1.00
211_A	215_Y	0.656	1.00
46_N	266_S	0.654	1.00
5_I	125_Y	0.647	1.00
280_H	301_L	0.645	1.00
101_K	107_Y	0.645	1.00
209_D	233_I	0.645	1.00
232_A	243_K	0.643	1.00
212_Y	240_K	0.639	1.00
116_L	120_D	0.639	1.00
181_L	185_K	0.639	1.00
166_R	194_T	0.637	1.00
205_V	211_A	0.636	1.00
123_E	127_R	0.636	1.00
153_F	186_K	0.635	1.00
125_Y	129_S	0.632	1.00
280_H	304_A	0.631	1.00
78_H	81_V	0.631	1.00
208_P	211_A	0.628	1.00
102_S	105_V	0.628	1.00
164_N	193_I	0.626	1.00
102_S	107_Y	0.625	1.00
72_Q	300_T	0.625	1.00
260_M	278_L	0.620	1.00
133_H	160_S	0.616	1.00
272_K	277_S	0.616	1.00
150_I	153_F	0.611	1.00
278_L	282_I	0.609	1.00
118_P	148_A	0.606	1.00
19_P	101_K	0.605	1.00
77_S	125_Y	0.604	1.00
49_S	269_L	0.603	1.00
116_L	121_I	0.601	1.00
193_I	224_L	0.601	1.00
287_L	303_D	0.600	1.00
58_N	82_D	0.599	1.00
54_A	79_I	0.599	1.00
274_I	277_S	0.597	1.00
101_K	104_L	0.593	1.00
126_V	161_L	0.585	1.00
197_D	201_I	0.584	1.00
92_I	254_T	0.584	1.00
224_L	260_M	0.584	1.00
196_P	228_G	0.584	1.00
271_G	277_S	0.583	1.00
136_G	165_I	0.581	1.00
164_N	168_K	0.581	1.00
119_E	122_N	0.578	1.00
209_D	212_Y	0.577	1.00
185_K	218_L	0.574	1.00
59_D	62_G	0.573	1.00
150_I	179_T	0.572	1.00
276_Y	280_H	0.572	1.00
165_I	168_K	0.572	1.00
90_Y	93_Q	0.570	1.00
17_F	27_Y	0.568	1.00
4_V	48_L	0.565	1.00
44_V	72_Q	0.563	1.00
118_P	122_N	0.562	1.00
224_L	278_L	0.562	1.00
166_R	193_I	0.557	1.00
16_S	19_P	0.554	1.00
77_S	80_K	0.553	1.00
164_N	268_Y	0.551	1.00
287_L	304_A	0.551	1.00
153_F	183_I	0.550	1.00
101_K	106_Y	0.544	1.00
69_S	74_I	0.544	1.00
85_S	112_A	0.544	1.00
6_A	50_C	0.542	1.00
188_D	222_V	0.542	1.00
130_R	161_L	0.541	1.00
86_F	89_I	0.541	1.00
125_Y	128_N	0.540	1.00
156_A	163_T	0.540	1.00
69_S	76_T	0.537	1.00
82_D	120_D	0.537	1.00
229_S	250_V	0.533	1.00
14_F	91_F	0.532	1.00
21_P	24_F	0.532	1.00
152_A	155_L	0.531	1.00
192_L	223_L	0.530	1.00
131_L	268_Y	0.530	1.00
221_K	236_K	0.530	1.00
216_K	223_L	0.529	1.00
267_L	271_G	0.529	1.00
216_K	219_G	0.528	1.00
163_T	169_L	0.527	1.00
37_L	52_L	0.527	1.00
150_I	180_I	0.526	1.00
216_K	238_N	0.525	1.00
31_H	296_E	0.525	1.00
63_K	70_R	0.523	1.00
6_A	43_V	0.523	1.00
110_G	114_S	0.523	1.00
90_Y	106_Y	0.522	1.00
208_P	212_Y	0.522	1.00
243_K	246_Y	0.522	1.00
267_L	301_L	0.522	1.00
43_V	265_V	0.522	1.00
199_T	208_P	0.522	1.00
33_A	38_N	0.521	1.00
203_L	214_K	0.520	1.00
39_F	265_V	0.520	1.00
88_G	113_G	0.518	1.00
92_I	102_S	0.515	1.00
262_G	266_S	0.513	1.00
13_Q	33_A	0.512	1.00
123_E	151_K	0.510	1.00
187_Y	220_V	0.510	1.00
163_T	166_R	0.510	1.00
220_V	223_L	0.506	1.00
200_K	206_T	0.504	1.00
169_L	172_S	0.503	1.00
100_M	103_E	0.502	1.00
49_S	130_R	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
2v78A	5	0.9744	100	0.165	Contact Map
2rbcA	2	0.9425	100	0.171	Contact Map
2dcnA	5	0.9681	100	0.173	Contact Map
3iq0A	2	0.9744	100	0.174	Contact Map
3ljsA	2	0.9744	100	0.179	Contact Map
1v1aA	5	0.9457	100	0.188	Contact Map
4du5A	2	0.9297	100	0.188	Contact Map
1tyyA	2	0.9265	100	0.189	Contact Map
3hj6A	2	0.8722	100	0.193	Contact Map
1rkdA	2	0.9393	100	0.195	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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