DKGA - ECOLI - GREMLIN Contacts

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DKGA - 2,5-diketo-D-gluconic acid reductase A

UniProt:	Q46857	Sequences: MANPTVIKLQDGNVMPQLGLGVWQASNEEVITAIQKALEVGYRSIDTAAAYKNEEGVGKALKNASVNREELFITTKLWNDDHKRPREALLDSLKKLQLDYIDLYLMHWPVPAIDHYVEAWKGMIELQKEGLIKSIGVCNFQIHHLQRLIDETGVTPVINQIELHPLMQQRQLHAWNATHKIQTESWSPLAQGGKGVFDQKVIRDLADKYGKTPAQIVIRWHLDSGLVVIPKSVTPSRIAENFDVWDFRLDKDELGEIAKLDQGKRLGPDPDQFGG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13015
Length:	275 (252)
Sequences:	32509 (20993)
Seq/√Len:	1322.4

ECOLI - DKGA YDHF YAJO TAS DKGB YDJG GPR YEAE YDBC
BACSU - GR YTBE YCSN YRPG GS69 IOLS YQKF YCCK
HALSA - Q9HS02 Q9HPH9 Q9HNN3 Q9HQU7 Q9HSE6 Q9HQT1
SULSO - Q97UV9 Q97ZZ1 Q97UG6 Q97UJ7 Q97V56 Q97U17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
36_K	239_A	3.134	1.00
90_L	131_L	2.967	1.00
62_K	97_Q	2.776	1.00
27_N	59_K	2.763	1.00
209_Y	253_E	2.669	1.00
89_L	126_L	2.511	1.00
250_D	253_E	2.469	1.00
31_I	63_N	2.434	1.00
8_K	14_V	2.392	1.00
86_R	125_E	2.386	1.00
86_R	129_E	2.343	1.00
36_K	40_V	2.292	1.00
208_K	256_E	2.141	1.00
203_R	207_D	2.018	1.00
31_I	59_K	2.015	1.00
208_K	253_E	1.987	1.00
124_I	128_K	1.971	1.00
91_D	95_K	1.960	1.00
223_D	254_L	1.921	1.00
7_I	17_Q	1.920	1.00
251_K	255_G	1.908	1.00
100_Y	133_K	1.907	1.00
175_W	179_H	1.907	1.00
125_E	129_E	1.876	1.00
67_N	70_E	1.874	1.00
204_D	256_E	1.844	1.00
235_P	239_A	1.830	1.00
176_N	183_T	1.810	1.00
105_L	158_I	1.803	1.00
19_G	44_S	1.797	1.00
211_K	247_F	1.781	1.00
82_H	125_E	1.771	1.00
73_I	98_L	1.754	1.00
182_Q	227_V	1.737	1.00
146_Q	150_D	1.710	1.00
37_A	42_Y	1.708	1.00
36_K	235_P	1.707	1.00
224_S	258_A	1.686	1.00
40_V	239_A	1.683	1.00
125_E	128_K	1.672	1.00
75_T	101_I	1.657	1.00
82_H	86_R	1.657	1.00
219_R	247_F	1.650	1.00
31_I	60_A	1.605	1.00
55_E	95_K	1.602	1.00
77_L	104_Y	1.597	1.00
40_V	242_F	1.592	1.00
75_T	92_S	1.585	1.00
77_L	85_P	1.576	1.00
212_T	240_E	1.567	1.00
31_I	35_Q	1.557	1.00
89_L	104_Y	1.557	1.00
146_Q	175_W	1.554	1.00
74_T	105_L	1.551	1.00
35_Q	63_N	1.538	1.00
201_V	204_D	1.519	1.00
255_G	259_K	1.518	1.00
36_K	39_E	1.514	1.00
86_R	90_L	1.512	1.00
22_V	45_I	1.501	1.00
243_D	246_D	1.496	1.00
122_G	125_E	1.479	1.00
49_A	88_A	1.454	1.00
27_N	31_I	1.431	1.00
105_L	184_E	1.427	1.00
101_I	132_I	1.425	1.00
87_E	91_D	1.420	1.00
13_N	134_S	1.409	1.00
38_L	71_L	1.399	1.00
34_I	60_A	1.397	1.00
177_A	225_G	1.385	1.00
90_L	94_K	1.376	1.00
211_K	215_Q	1.375	1.00
171_Q	174_A	1.375	1.00
174_A	178_T	1.369	1.00
13_N	72_F	1.336	1.00
239_A	243_D	1.333	1.00
29_E	32_T	1.328	1.00
82_H	121_K	1.308	1.00
141_Q	144_H	1.306	1.00
134_S	157_V	1.306	1.00
161_I	183_T	1.306	1.00
219_R	223_D	1.293	1.00
149_I	179_H	1.289	1.00
35_Q	39_E	1.282	1.00
126_L	132_I	1.271	1.00
232_S	237_R	1.267	1.00
256_E	259_K	1.259	1.00
86_R	122_G	1.254	1.00
91_D	94_K	1.251	1.00
149_I	175_W	1.250	1.00
132_I	135_I	1.238	1.00
82_H	122_G	1.233	1.00
211_K	216_I	1.228	1.00
58_G	97_Q	1.215	1.00
72_F	103_L	1.211	1.00
68_R	100_Y	1.209	1.00
32_T	36_K	1.208	1.00
54_E	92_S	1.204	1.00
232_S	238_I	1.200	1.00
212_T	215_Q	1.195	1.00
142_I	175_W	1.192	1.00
128_K	153_G	1.176	1.00
201_V	256_E	1.170	1.00
68_R	98_L	1.159	1.00
204_D	208_K	1.152	1.00
59_K	97_Q	1.148	1.00
89_L	101_I	1.146	1.00
96_L	101_I	1.137	1.00
45_I	57_V	1.132	1.00
103_L	158_I	1.129	1.00
173_H	177_A	1.128	1.00
163_L	224_S	1.125	1.00
117_V	151_E	1.125	1.00
109_P	144_H	1.123	1.00
236_S	239_A	1.117	1.00
146_Q	178_T	1.113	1.00
83_K	87_E	1.107	1.00
205_L	216_I	1.098	1.00
11_D	134_S	1.098	1.00
44_S	184_E	1.093	1.00
35_Q	60_A	1.087	1.00
127_Q	157_V	1.085	1.00
28_E	32_T	1.082	1.00
165_P	257_I	1.081	1.00
166_L	199_Q	1.079	1.00
55_E	59_K	1.079	1.00
33_A	238_I	1.075	1.00
27_N	56_G	1.073	1.00
118_E	121_K	1.069	1.00
84_R	87_E	1.063	1.00
203_R	213_P	1.058	1.00
204_D	207_D	1.056	1.00
162_E	167_M	1.055	1.00
221_H	228_V	1.050	1.00
123_M	135_I	1.047	1.00
106_M	123_M	1.046	1.00
44_S	74_T	1.043	1.00
146_Q	179_H	1.037	1.00
90_L	129_E	1.032	1.00
16_P	43_R	1.031	1.00
22_V	57_V	1.026	1.00
168_Q	261_D	1.022	1.00
124_I	127_Q	1.020	1.00
10_Q	157_V	1.016	1.00
215_Q	243_D	1.001	1.00
222_L	244_V	1.000	1.00
165_P	217_V	0.999	1.00
32_T	235_P	0.993	1.00
126_L	131_L	0.991	1.00
238_I	242_F	0.983	1.00
202_I	213_P	0.973	1.00
8_K	12_G	0.968	1.00
59_K	63_N	0.966	1.00
127_Q	154_V	0.964	1.00
49_A	84_R	0.964	1.00
55_E	94_K	0.962	1.00
43_R	72_F	0.959	1.00
54_E	95_K	0.958	1.00
82_H	118_E	0.958	1.00
170_R	174_A	0.956	1.00
16_P	42_Y	0.955	1.00
147_R	151_E	0.950	1.00
137_V	156_P	0.946	1.00
117_V	147_R	0.937	1.00
158_I	184_E	0.937	1.00
142_I	146_Q	0.919	1.00
121_K	125_E	0.914	1.00
102_D	133_K	0.914	1.00
17_Q	222_L	0.911	1.00
86_R	89_L	0.908	1.00
74_T	184_E	0.904	1.00
126_L	129_E	0.903	1.00
49_A	81_D	0.902	1.00
215_Q	240_E	0.901	1.00
240_E	243_D	0.900	1.00
174_A	177_A	0.892	1.00
61_L	71_L	0.891	1.00
124_I	153_G	0.880	1.00
17_Q	245_W	0.878	1.00
137_V	145_L	0.869	1.00
236_S	240_E	0.869	1.00
11_D	157_V	0.867	1.00
34_I	45_I	0.865	1.00
205_L	209_Y	0.860	1.00
122_G	126_L	0.855	1.00
38_L	67_N	0.854	1.00
218_I	244_V	0.853	1.00
200_K	204_D	0.850	1.00
208_K	250_D	0.849	1.00
87_E	90_L	0.847	1.00
200_K	203_R	0.846	1.00
139_N	186_W	0.846	1.00
234_T	237_R	0.845	1.00
159_N	176_N	0.842	1.00
255_G	258_A	0.842	1.00
11_D	127_Q	0.839	1.00
121_K	124_I	0.835	1.00
224_S	254_L	0.826	1.00
32_T	35_Q	0.823	1.00
124_I	135_I	0.818	1.00
86_R	126_L	0.812	1.00
223_D	248_R	0.811	1.00
135_I	156_P	0.808	1.00
252_D	256_E	0.805	1.00
252_D	255_G	0.802	1.00
74_T	103_L	0.797	1.00
49_A	95_K	0.796	1.00
175_W	178_T	0.790	1.00
145_L	181_I	0.790	1.00
219_R	244_V	0.788	1.00
108_W	139_N	0.784	1.00
169_Q	174_A	0.779	1.00
209_Y	250_D	0.779	1.00
93_L	131_L	0.777	1.00
168_Q	258_A	0.777	1.00
188_P	230_P	0.773	1.00
22_V	53_N	0.770	1.00
217_V	221_H	0.765	1.00
163_L	173_H	0.764	1.00
173_H	183_T	0.763	1.00
63_N	67_N	0.761	1.00
147_R	150_D	0.753	1.00
20_L	37_A	0.753	1.00
19_G	230_P	0.752	1.00
223_D	251_K	0.745	1.00
40_V	243_D	0.736	1.00
233_V	237_R	0.735	1.00
47_T	57_V	0.735	1.00
197_F	200_K	0.734	1.00
85_P	119_A	0.733	1.00
7_I	182_Q	0.733	1.00
142_I	172_L	0.730	1.00
75_T	104_Y	0.729	1.00
20_L	25_A	0.728	1.00
36_K	238_I	0.726	1.00
185_S	228_V	0.712	1.00
185_S	188_P	0.710	1.00
211_K	246_D	0.709	1.00
35_Q	67_N	0.709	1.00
28_E	31_I	0.708	1.00
172_L	176_N	0.708	1.00
124_I	152_T	0.705	1.00
137_V	159_N	0.705	1.00
49_A	91_D	0.703	1.00
120_W	156_P	0.703	1.00
33_A	235_P	0.702	1.00
30_V	56_G	0.695	1.00
92_S	104_Y	0.690	1.00
120_W	148_L	0.689	1.00
149_I	155_T	0.681	1.00
201_V	260_L	0.674	1.00
173_H	224_S	0.673	1.00
220_W	258_A	0.672	1.00
93_L	98_L	0.671	1.00
119_A	122_G	0.668	1.00
176_N	181_I	0.668	1.00
42_Y	242_F	0.668	1.00
88_A	91_D	0.667	1.00
209_Y	216_I	0.664	1.00
202_I	257_I	0.664	1.00
120_W	135_I	0.664	1.00
38_L	45_I	0.664	1.00
89_L	131_L	0.660	1.00
18_L	222_L	0.657	1.00
85_P	126_L	0.656	1.00
211_K	219_R	0.647	1.00
69_E	100_Y	0.645	1.00
127_Q	134_S	0.644	1.00
207_D	210_G	0.643	1.00
23_W	187_S	0.641	1.00
13_N	133_K	0.641	1.00
188_P	221_H	0.640	1.00
137_V	140_F	0.640	1.00
214_A	240_E	0.640	1.00
43_R	70_E	0.638	1.00
105_L	136_G	0.638	1.00
101_I	104_Y	0.633	1.00
216_I	249_L	0.632	1.00
40_V	238_I	0.632	1.00
184_E	227_V	0.630	1.00
150_D	154_V	0.629	1.00
237_R	240_E	0.629	1.00
221_H	226_L	0.628	1.00
124_I	154_V	0.627	1.00
206_A	216_I	0.627	1.00
249_L	254_L	0.626	1.00
24_Q	191_Q	0.625	1.00
142_I	171_Q	0.623	1.00
205_L	253_E	0.622	1.00
34_I	38_L	0.622	1.00
89_L	93_L	0.620	1.00
211_K	243_D	0.620	1.00
216_I	247_F	0.613	1.00
26_S	53_N	0.610	1.00
127_Q	132_I	0.610	1.00
85_P	122_G	0.609	1.00
123_M	127_Q	0.608	1.00
163_L	221_H	0.604	1.00
67_N	71_L	0.602	1.00
202_I	217_V	0.599	1.00
114_D	118_E	0.596	1.00
46_D	160_Q	0.593	1.00
249_L	253_E	0.592	1.00
29_E	235_P	0.592	1.00
25_A	33_A	0.590	1.00
116_Y	151_E	0.586	1.00
116_Y	119_A	0.584	1.00
163_L	183_T	0.584	1.00
25_A	30_V	0.582	1.00
50_A	78_W	0.581	1.00
81_D	84_R	0.580	1.00
82_H	85_P	0.576	1.00
38_L	43_R	0.573	1.00
146_Q	149_I	0.573	1.00
206_A	213_P	0.570	1.00
196_V	199_Q	0.569	1.00
216_I	253_E	0.569	1.00
205_L	256_E	0.567	1.00
93_L	101_I	0.564	1.00
39_E	235_P	0.563	1.00
9_L	182_Q	0.561	1.00
33_A	232_S	0.560	1.00
10_Q	155_T	0.560	1.00
93_L	100_Y	0.559	1.00
45_I	61_L	0.558	1.00
66_V	71_L	0.558	1.00
47_T	53_N	0.554	1.00
15_M	44_S	0.554	1.00
115_H	118_E	0.553	1.00
86_R	131_L	0.552	1.00
93_L	99_D	0.552	1.00
163_L	168_Q	0.548	1.00
104_Y	123_M	0.547	1.00
165_P	220_W	0.544	1.00
110_V	114_D	0.542	1.00
104_Y	132_I	0.542	1.00
34_I	57_V	0.541	1.00
195_G	198_D	0.540	1.00
232_S	241_N	0.538	1.00
144_H	147_R	0.537	1.00
206_A	209_Y	0.537	1.00
115_H	119_A	0.535	1.00
253_E	256_E	0.531	1.00
187_S	191_Q	0.530	1.00
10_Q	180_K	0.530	1.00
79_N	108_W	0.529	1.00
57_V	60_A	0.529	1.00
117_V	121_K	0.529	1.00
68_R	102_D	0.528	1.00
18_L	245_W	0.528	1.00
19_G	229_I	0.527	1.00
163_L	226_L	0.526	1.00
137_V	148_L	0.525	1.00
7_I	227_V	0.524	1.00
202_I	206_A	0.522	1.00
38_L	70_E	0.520	1.00
20_L	33_A	0.520	1.00
222_L	228_V	0.519	1.00
235_P	238_I	0.519	1.00
216_I	257_I	0.517	1.00
77_L	88_A	0.516	1.00
49_A	78_W	0.515	1.00
209_Y	247_F	0.515	1.00
105_L	138_C	0.515	1.00
215_Q	247_F	0.513	1.00
109_P	139_N	0.512	1.00
37_A	45_I	0.512	1.00
219_R	248_R	0.512	1.00
15_M	227_V	0.511	1.00
184_E	229_I	0.511	1.00
7_I	15_M	0.508	1.00
205_L	260_L	0.506	1.00
143_H	146_Q	0.505	1.00
33_A	233_V	0.502	1.00
54_E	75_T	0.501	1.00
152_T	156_P	0.501	1.00
116_Y	144_H	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
4otkA	1	0.9927	100	0.088	Contact Map
1mzrA	1	1	100	0.092	Contact Map
2wzmA	1	0.9855	100	0.096	Contact Map
1hw6A	1	0.9345	100	0.098	Contact Map
1mi3A	3	0.9891	100	0.103	Contact Map
4q3mA	2	0.9818	100	0.107	Contact Map
1vbjA	1	0.9855	100	0.109	Contact Map
3f7jA	1	0.9855	100	0.112	Contact Map
4f40A	1	0.9745	100	0.113	Contact Map
3o0kA	1	0.9418	100	0.115	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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