YQEC - BACSU - GREMLIN Contacts

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YQEC - Putative 6-phosphogluconate dehydrogenase YqeC

UniProt:	P54448	Sequences: MKIGLIGLGKMGINIGKQFIDRNHQVVGYDVNQAAVDELKAYGAEGTTNLKEFISLLHPPRILWVMVPHGIVDAVLRDVSPLLSKGDMIIEAGNSHYKESIRRYNQMKEAGIHYLDAGTSGGMEGARHGACFMVGGDHEAWEIVEPLFRDTAVENGYLYAGEAGSGHFLKMIHNGIEYGMMAAIGEGFEVLENSQFDFDYEKVARVWNHGSVIRSWLMGLTERAFAKDAKLDQIKGIMHSSGEGKWTVETALDLQTATPVIAMSLMMRYRSLTDDTFTGKVVAALRNEFGGHATEKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	297 (276)
Sequences:	11437 (7361)
Seq/√Len:	443.1

ECOLI - GARR YGBJ GLXR SQUU 6PGD
BACSU - YQEC YKWC YFJR 6PGDH 6PGD
HALSA - Q9HMG5
SULSO - Q97XZ7 Q97ZE5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
145_E	149_R	3.654	1.00
73_D	102_R	3.384	1.00
138_H	142_E	3.373	1.00
27_V	47_T	3.117	1.00
40_K	46_G	2.921	1.00
113_H	140_A	2.871	1.00
2_K	25_Q	2.855	1.00
113_H	143_I	2.739	1.00
17_K	42_Y	2.722	1.00
37_D	41_A	2.270	1.00
48_T	52_E	2.237	1.00
36_V	46_G	2.233	1.00
4_G	53_F	2.222	1.00
142_E	145_E	2.212	1.00
107_M	112_I	2.159	1.00
88_M	144_V	2.026	1.00
13_I	38_E	1.988	1.00
49_N	52_E	1.943	1.00
24_H	150_D	1.943	1.00
138_H	159_Y	1.902	1.00
104_Y	163_A	1.888	1.00
20_I	44_A	1.887	1.00
80_S	107_M	1.861	1.00
113_H	137_D	1.856	1.00
65_V	89_I	1.838	1.00
98_K	253_D	1.825	1.00
18_Q	21_D	1.823	1.00
22_R	150_D	1.795	1.00
51_K	55_S	1.791	1.00
250_T	253_D	1.780	1.00
25_Q	45_E	1.772	1.00
2_K	27_V	1.767	1.00
34_A	37_D	1.760	1.00
84_S	87_D	1.747	1.00
32_N	35_A	1.747	1.00
108_K	137_D	1.707	1.00
105_N	109_E	1.692	1.00
191_L	203_V	1.685	1.00
137_D	140_A	1.672	1.00
76_L	89_I	1.655	1.00
132_F	151_T	1.654	1.00
33_Q	37_D	1.644	1.00
115_L	136_G	1.605	1.00
28_G	44_A	1.602	1.00
214_R	219_G	1.599	1.00
277_F	280_K	1.596	1.00
66_M	92_A	1.591	1.00
88_M	140_A	1.582	1.00
223_R	227_K	1.578	1.00
237_I	279_G	1.565	1.00
262_A	266_M	1.557	1.00
199_D	202_K	1.552	1.00
106_Q	109_E	1.538	1.00
132_F	152_A	1.532	1.00
104_Y	108_K	1.511	1.00
102_R	106_Q	1.510	1.00
141_W	145_E	1.507	1.00
115_L	144_V	1.500	1.00
117_A	132_F	1.487	1.00
83_L	87_D	1.482	1.00
18_Q	129_G	1.477	1.00
64_W	92_A	1.472	1.00
51_K	82_L	1.448	1.00
55_S	59_P	1.439	1.00
179_G	183_A	1.418	1.00
141_W	159_Y	1.416	1.00
37_D	40_K	1.409	1.00
201_E	205_R	1.403	1.00
123_M	127_R	1.401	1.00
53_F	60_P	1.395	1.00
160_A	169_L	1.394	1.00
124_E	128_H	1.391	1.00
263_M	266_M	1.389	1.00
27_V	45_E	1.380	1.00
70_G	99_E	1.372	1.00
171_M	246_W	1.371	1.00
27_V	59_P	1.354	1.00
162_E	165_S	1.348	1.00
61_R	84_S	1.336	1.00
100_S	114_Y	1.330	1.00
33_Q	48_T	1.322	1.00
21_D	42_Y	1.320	1.00
88_M	143_I	1.312	1.00
59_P	84_S	1.306	1.00
66_M	119_T	1.294	1.00
107_M	114_Y	1.288	1.00
80_S	110_A	1.260	1.00
50_L	82_L	1.255	1.00
17_K	127_R	1.255	1.00
90_I	144_V	1.250	1.00
192_E	200_Y	1.242	1.00
14_N	127_R	1.241	1.00
52_E	55_S	1.230	1.00
252_L	262_A	1.229	1.00
54_I	82_L	1.227	1.00
78_D	81_P	1.224	1.00
62_I	88_M	1.208	1.00
4_G	60_P	1.205	1.00
115_L	141_W	1.202	1.00
16_G	26_V	1.201	1.00
21_D	127_R	1.200	1.00
178_Y	240_S	1.190	1.00
208_N	219_G	1.189	1.00
83_L	112_I	1.189	1.00
265_L	270_R	1.188	1.00
249_E	253_D	1.185	1.00
73_D	106_Q	1.182	1.00
280_K	287_N	1.182	1.00
5_L	15_I	1.166	1.00
62_I	147_L	1.166	1.00
130_A	155_N	1.165	1.00
251_A	258_T	1.154	1.00
189_E	193_N	1.149	1.00
237_I	273_T	1.148	1.00
178_Y	244_G	1.144	1.00
144_V	148_F	1.143	1.00
101_I	168_F	1.143	1.00
38_E	41_A	1.142	1.00
257_A	262_A	1.141	1.00
87_D	112_I	1.139	1.00
92_A	132_F	1.136	1.00
39_L	44_A	1.129	1.00
194_S	254_L	1.129	1.00
234_I	237_I	1.127	1.00
5_L	64_W	1.118	1.00
17_K	21_D	1.117	1.00
67_V	75_V	1.115	1.00
106_Q	110_A	1.114	1.00
96_H	99_E	1.114	1.00
81_P	110_A	1.109	1.00
5_L	16_G	1.105	1.00
241_S	273_T	1.095	1.00
101_I	105_N	1.087	1.00
89_I	107_M	1.081	1.00
231_L	234_I	1.080	1.00
70_G	96_H	1.076	1.00
248_V	262_A	1.070	1.00
134_V	141_W	1.062	1.00
101_I	163_A	1.059	1.00
73_D	99_E	1.058	1.00
10_K	123_M	1.055	1.00
105_N	108_K	1.052	1.00
27_V	60_P	1.049	1.00
30_D	35_A	1.035	1.00
64_W	147_L	1.034	1.00
20_I	43_G	1.027	1.00
51_K	78_D	1.026	1.00
92_A	151_T	1.026	1.00
104_Y	137_D	1.022	1.00
245_K	265_L	1.018	1.00
47_T	52_E	1.011	1.00
176_I	187_G	1.009	1.00
202_K	205_R	1.007	1.00
249_E	252_L	0.997	1.00
38_E	42_Y	0.975	1.00
115_L	134_V	0.973	1.00
64_W	90_I	0.967	1.00
172_I	191_L	0.960	1.00
8_L	39_L	0.959	1.00
149_R	157_Y	0.958	1.00
47_T	53_F	0.957	1.00
137_D	162_E	0.957	1.00
77_R	81_P	0.955	1.00
83_L	89_I	0.949	1.00
33_Q	46_G	0.948	1.00
120_S	173_H	0.948	1.00
188_F	204_A	0.942	1.00
216_W	220_L	0.941	1.00
245_K	249_E	0.939	1.00
71_I	74_A	0.939	1.00
172_I	187_G	0.934	1.00
120_S	133_M	0.934	1.00
116_D	164_G	0.934	1.00
77_R	106_Q	0.928	1.00
76_L	79_V	0.927	1.00
266_M	270_R	0.926	1.00
72_V	95_S	0.921	1.00
168_F	194_S	0.921	1.00
160_A	165_S	0.920	1.00
31_V	71_I	0.920	1.00
101_I	162_E	0.918	1.00
273_T	278_T	0.918	1.00
76_L	107_M	0.915	1.00
88_M	113_H	0.913	1.00
136_G	141_W	0.910	1.00
85_K	111_G	0.909	1.00
73_D	103_R	0.908	1.00
34_A	38_E	0.903	1.00
179_G	260_V	0.903	1.00
99_E	102_R	0.898	1.00
142_E	159_Y	0.898	1.00
13_I	17_K	0.887	1.00
18_Q	151_T	0.886	1.00
270_R	274_D	0.886	1.00
100_S	167_H	0.884	1.00
201_E	226_A	0.884	1.00
62_I	143_I	0.879	1.00
133_M	206_V	0.873	1.00
5_L	26_V	0.872	1.00
280_K	284_A	0.870	1.00
241_S	265_L	0.869	1.00
95_S	99_E	0.866	1.00
193_N	256_T	0.865	1.00
102_R	105_N	0.863	1.00
96_H	249_E	0.863	1.00
168_F	250_T	0.860	1.00
15_I	151_T	0.854	1.00
241_S	270_R	0.853	1.00
160_A	206_V	0.850	1.00
8_L	28_G	0.841	1.00
35_A	38_E	0.837	1.00
2_K	61_R	0.834	1.00
182_A	260_V	0.832	1.00
204_A	208_N	0.830	1.00
19_F	64_W	0.822	1.00
146_P	149_R	0.819	1.00
3_I	24_H	0.819	1.00
20_I	42_Y	0.816	1.00
271_S	275_D	0.802	1.00
63_L	79_V	0.800	1.00
90_I	117_A	0.800	1.00
140_A	143_I	0.798	1.00
193_N	254_L	0.795	1.00
80_S	112_I	0.793	1.00
270_R	273_T	0.791	1.00
277_F	287_N	0.791	1.00
27_V	53_F	0.789	1.00
135_G	166_G	0.789	1.00
180_M	184_I	0.788	1.00
65_V	72_V	0.788	1.00
169_L	198_F	0.787	1.00
116_D	166_G	0.787	1.00
101_I	164_G	0.784	1.00
141_W	157_Y	0.779	1.00
91_E	114_Y	0.778	1.00
175_G	261_I	0.773	1.00
113_H	139_E	0.772	1.00
68_P	71_I	0.771	1.00
210_G	213_I	0.770	1.00
98_K	101_I	0.769	1.00
245_K	270_R	0.768	1.00
260_V	264_S	0.768	1.00
94_N	246_W	0.767	1.00
53_F	59_P	0.767	1.00
204_A	222_E	0.765	1.00
159_Y	162_E	0.764	1.00
175_G	247_T	0.764	1.00
67_V	71_I	0.763	1.00
15_I	92_A	0.763	1.00
62_I	90_I	0.763	1.00
198_F	203_V	0.763	1.00
140_A	144_V	0.761	1.00
201_E	227_K	0.757	1.00
15_I	66_M	0.755	1.00
222_E	226_A	0.751	1.00
65_V	76_L	0.749	1.00
145_E	157_Y	0.739	1.00
148_F	157_Y	0.739	1.00
5_L	66_M	0.739	1.00
250_T	254_L	0.738	1.00
115_L	140_A	0.737	1.00
248_V	265_L	0.736	1.00
28_G	36_V	0.734	1.00
185_G	285_L	0.731	1.00
213_I	216_W	0.726	1.00
208_N	214_R	0.726	1.00
24_H	147_L	0.725	1.00
103_R	114_Y	0.723	1.00
232_D	235_K	0.722	1.00
122_G	125_G	0.721	1.00
55_S	82_L	0.718	1.00
234_I	239_H	0.716	1.00
252_L	265_L	0.712	1.00
272_L	277_F	0.706	1.00
19_F	26_V	0.706	1.00
52_E	59_P	0.705	1.00
176_I	183_A	0.703	1.00
80_S	106_Q	0.699	1.00
13_I	42_Y	0.699	1.00
31_V	35_A	0.698	1.00
63_L	83_L	0.693	1.00
6_I	29_Y	0.692	1.00
176_I	184_I	0.691	1.00
114_Y	163_A	0.690	1.00
33_Q	36_V	0.679	1.00
72_V	93_G	0.678	1.00
3_I	19_F	0.678	1.00
139_E	142_E	0.676	1.00
117_A	134_V	0.676	1.00
3_I	147_L	0.676	1.00
6_I	50_L	0.675	1.00
67_V	72_V	0.672	1.00
134_V	148_F	0.671	1.00
272_L	284_A	0.670	1.00
224_A	229_A	0.669	1.00
176_I	180_M	0.667	1.00
158_L	206_V	0.665	1.00
180_M	215_S	0.663	1.00
148_F	152_A	0.663	1.00
184_I	218_M	0.661	1.00
169_L	203_V	0.660	1.00
99_E	103_R	0.657	1.00
13_I	39_L	0.657	1.00
20_I	26_V	0.655	1.00
85_K	110_A	0.655	1.00
176_I	207_W	0.653	1.00
236_G	272_L	0.652	1.00
271_S	274_D	0.652	1.00
222_E	225_F	0.648	0.99
181_M	282_V	0.648	0.99
11_M	15_I	0.646	0.99
231_L	280_K	0.645	0.99
189_E	192_E	0.644	0.99
180_M	217_L	0.643	0.99
135_G	159_Y	0.642	0.99
36_V	40_K	0.641	0.99
74_A	77_R	0.639	0.99
95_S	167_H	0.639	0.99
145_E	159_Y	0.634	0.99
230_K	287_N	0.633	0.99
95_S	100_S	0.631	0.99
235_K	239_H	0.625	0.99
45_E	59_P	0.624	0.99
241_S	245_K	0.624	0.99
60_P	63_L	0.620	0.99
245_K	252_L	0.620	0.99
16_G	28_G	0.619	0.99
37_D	46_G	0.616	0.99
84_S	112_I	0.616	0.99
273_T	276_T	0.615	0.99
190_V	258_T	0.614	0.99
172_I	190_V	0.612	0.99
179_G	264_S	0.612	0.99
74_A	78_D	0.612	0.99
125_G	130_A	0.611	0.99
30_D	33_Q	0.611	0.99
248_V	252_L	0.611	0.99
216_W	219_G	0.610	0.99
6_I	53_F	0.610	0.99
117_A	148_F	0.609	0.99
72_V	99_E	0.609	0.99
284_A	287_N	0.608	0.99
171_M	247_T	0.605	0.99
168_F	198_F	0.605	0.99
51_K	81_P	0.602	0.99
65_V	91_E	0.598	0.99
237_I	278_T	0.597	0.99
17_K	20_I	0.596	0.99
51_K	77_R	0.595	0.99
72_V	91_E	0.594	0.99
50_L	54_I	0.588	0.99
29_Y	50_L	0.587	0.99
96_H	246_W	0.586	0.99
134_V	157_Y	0.585	0.99
8_L	16_G	0.584	0.99
208_N	218_M	0.583	0.99
97_Y	168_F	0.581	0.99
30_D	71_I	0.580	0.99
14_N	123_M	0.579	0.99
9_G	68_P	0.578	0.99
63_L	87_D	0.577	0.99
125_G	128_H	0.572	0.99
240_S	269_Y	0.570	0.99
206_V	209_H	0.568	0.99
76_L	103_R	0.567	0.99
62_I	144_V	0.560	0.99
79_V	83_L	0.559	0.99
2_K	59_P	0.557	0.98
75_V	78_D	0.556	0.98
156_G	209_H	0.555	0.98
55_S	84_S	0.554	0.98
17_K	38_E	0.553	0.98
205_R	226_A	0.553	0.98
72_V	103_R	0.552	0.98
91_E	100_S	0.552	0.98
189_E	256_T	0.551	0.98
205_R	222_E	0.550	0.98
36_V	39_L	0.550	0.98
138_H	141_W	0.548	0.98
213_I	218_M	0.543	0.98
50_L	53_F	0.541	0.98
191_L	200_Y	0.537	0.98
50_L	79_V	0.536	0.98
138_H	145_E	0.534	0.98
64_W	151_T	0.534	0.98
221_T	224_A	0.534	0.98
270_R	276_T	0.533	0.98
147_L	150_D	0.533	0.98
146_P	150_D	0.532	0.98
90_I	148_F	0.530	0.98
30_D	36_V	0.530	0.98
14_N	129_G	0.526	0.98
260_V	263_M	0.521	0.98
18_Q	22_R	0.520	0.98
2_K	60_P	0.519	0.98
173_H	210_G	0.518	0.98
14_N	18_Q	0.517	0.98
203_V	207_W	0.517	0.98
11_M	66_M	0.516	0.97
225_F	286_R	0.516	0.97
100_S	163_A	0.515	0.97
64_W	148_F	0.514	0.97
185_G	225_F	0.514	0.97
18_Q	126_A	0.511	0.97
103_R	106_Q	0.510	0.97
143_I	146_P	0.509	0.97
190_V	251_A	0.508	0.97
61_R	87_D	0.505	0.97
28_G	40_K	0.505	0.97
165_S	168_F	0.505	0.97
139_E	143_I	0.503	0.97
16_G	39_L	0.503	0.97
98_K	102_R	0.500	0.97
266_M	271_S	0.500	0.97

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
3pduA	4	0.9461	100	0.363	Contact Map
3pefA	5	0.9461	100	0.366	Contact Map
4e21A	4	0.9461	100	0.367	Contact Map
3dojA	3	0.9529	100	0.368	Contact Map
3obbA	4	0.9495	100	0.369	Contact Map
3ckyA	4	0.9663	100	0.373	Contact Map
3zgyA	2	0.9495	100	0.373	Contact Map
3g0oA	3	0.9394	100	0.374	Contact Map
1vpdA	1	0.9663	100	0.375	Contact Map
2gf2A	4	0.9562	100	0.376	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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