KDGA - SULSO - GREMLIN Contacts

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KDGA - 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase

UniProt:	Q97U28	Sequences: MGRQGNLEELWCLRMPEIITPIITPFTKDNRIDKEKLKIHAENLIRKGIDKLFVNGTTGLGPSLSPEEKLENLKAVYDVTNKIIFQVGGLNLDDAIRLAKLSKDFDIVGIASYAPYYYPRMSEKHLVKYFKTLCEVSPHPVYLYNYPTATGKDIDAKVAKEIGCFTGVKDTIENIIHTLDYKRLNPNMLVYSGSDMLIATVASTGLDGNVAAGSNYLPEVTVTIKKLAMERKIDEALKLQFLHDEVIEASRIFGSLSSNYVLTKYFQGYDLGYPRPPIFPLDDEEERQLIKKVEGIRAKLVELKILKE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	308 (280)
Sequences:	10303 (6805)
Seq/√Len:	406.7

ECOLI - YAGE YJHH NANA DAPA
BACSU - DAPA KDGD
HALSA - DAPAL
SULSO - KDGA Q97UF0 Q97WF2 Q97UI2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
232_K	235_E	3.828	1.00
42_E	79_V	3.365	1.00
27_T	31_R	3.211	1.00
127_V	161_E	3.132	1.00
266_F	290_I	2.911	1.00
38_K	79_V	2.789	1.00
34_K	71_E	2.694	1.00
34_K	75_A	2.636	1.00
87_V	99_A	2.578	1.00
103_K	138_P	2.572	1.00
38_K	75_A	2.506	1.00
201_V	206_L	2.492	1.00
227_L	235_E	2.444	1.00
70_L	101_L	2.435	1.00
99_A	110_I	2.258	1.00
235_E	238_K	2.186	1.00
19_I	51_K	2.072	1.00
226_K	230_E	2.046	1.00
123_E	158_V	2.028	1.00
92_L	129_Y	2.026	1.00
123_E	155_D	2.005	1.00
202_A	228_A	1.986	1.00
222_V	226_K	1.956	1.00
227_L	232_K	1.954	1.00
42_E	82_K	1.951	1.00
50_D	226_K	1.933	1.00
43_N	47_K	1.929	1.00
71_E	74_K	1.906	1.00
33_D	36_K	1.896	1.00
42_E	46_R	1.883	1.00
290_I	294_E	1.876	1.00
153_D	177_H	1.862	1.00
66_P	94_D	1.836	1.00
131_K	135_E	1.820	1.00
38_K	78_D	1.814	1.00
124_K	128_K	1.809	1.00
127_V	131_K	1.803	1.00
262_L	286_E	1.770	1.00
124_K	161_E	1.754	1.00
220_V	242_L	1.750	1.00
74_K	78_D	1.734	1.00
47_K	219_E	1.708	1.00
41_A	76_V	1.706	1.00
77_Y	83_I	1.700	1.00
142_Y	167_G	1.679	1.00
20_T	214_S	1.666	1.00
37_L	76_V	1.660	1.00
128_K	131_K	1.654	1.00
71_E	75_A	1.644	1.00
68_E	275_R	1.625	1.00
160_K	184_L	1.621	1.00
287_R	290_I	1.620	1.00
36_K	39_I	1.611	1.00
112_S	133_L	1.588	1.00
25_P	37_L	1.578	1.00
99_A	137_S	1.538	1.00
155_D	158_V	1.517	1.00
265_Y	272_G	1.511	1.00
75_A	79_V	1.509	1.00
54_V	76_V	1.507	1.00
159_A	168_V	1.491	1.00
238_K	242_L	1.486	1.00
73_L	85_F	1.473	1.00
37_L	72_N	1.456	1.00
283_D	287_R	1.392	1.00
95_A	133_L	1.388	1.00
50_D	222_V	1.381	1.00
223_T	235_E	1.378	1.00
45_I	82_K	1.364	1.00
283_D	286_E	1.363	1.00
287_R	291_K	1.363	1.00
128_K	132_T	1.360	1.00
89_G	95_A	1.357	1.00
103_K	137_S	1.355	1.00
223_T	227_L	1.345	1.00
252_I	288_Q	1.337	1.00
19_I	53_F	1.335	1.00
262_L	266_F	1.325	1.00
66_P	97_R	1.322	1.00
103_K	139_H	1.314	1.00
23_I	264_K	1.310	1.00
60_L	261_V	1.304	1.00
101_L	104_D	1.302	1.00
18_I	49_I	1.299	1.00
142_Y	210_V	1.291	1.00
291_K	295_G	1.271	1.00
70_L	97_R	1.271	1.00
282_D	285_E	1.267	1.00
75_A	78_D	1.262	1.00
219_E	223_T	1.261	1.00
84_I	109_G	1.248	1.00
110_I	137_S	1.237	1.00
16_P	229_M	1.235	1.00
91_N	94_D	1.229	1.00
96_I	132_T	1.225	1.00
182_K	190_V	1.224	1.00
70_L	74_K	1.215	1.00
199_A	236_A	1.214	1.00
228_A	233_I	1.214	1.00
43_N	269_Y	1.211	1.00
55_N	72_N	1.208	1.00
73_L	102_S	1.202	1.00
66_P	101_L	1.200	1.00
134_C	164_C	1.195	1.00
100_K	104_D	1.182	1.00
67_E	71_E	1.182	1.00
265_Y	270_D	1.174	1.00
31_R	93_D	1.170	1.00
20_T	44_L	1.155	1.00
132_T	276_P	1.152	1.00
77_Y	108_V	1.150	1.00
74_K	101_L	1.146	1.00
132_T	135_E	1.138	1.00
263_T	293_V	1.135	1.00
157_K	184_L	1.132	1.00
80_T	83_I	1.132	1.00
35_E	38_K	1.125	1.00
27_T	33_D	1.120	1.00
223_T	226_K	1.117	1.00
180_D	184_L	1.116	1.00
233_I	237_L	1.114	1.00
53_F	111_A	1.109	1.00
234_D	237_L	1.103	1.00
26_F	64_L	1.101	1.00
225_K	229_M	1.101	1.00
41_A	80_T	1.099	1.00
291_K	294_E	1.093	1.00
70_L	104_D	1.092	1.00
262_L	290_I	1.092	1.00
41_A	79_V	1.088	1.00
189_L	207_D	1.081	1.00
262_L	265_Y	1.070	1.00
84_I	142_Y	1.065	1.00
87_V	102_S	1.055	1.00
34_K	38_K	1.054	1.00
110_I	139_H	1.054	1.00
20_T	49_I	1.048	1.00
124_K	127_V	1.037	1.00
132_T	136_V	1.031	1.00
18_I	222_V	1.031	1.00
100_K	136_V	1.028	1.00
36_K	271_L	1.027	1.00
74_K	105_F	1.018	1.00
96_I	100_K	1.018	1.00
124_K	282_D	1.015	1.00
28_K	273_Y	1.015	1.00
101_L	105_F	1.012	1.00
88_G	113_Y	1.004	1.00
281_L	289_L	1.001	1.00
16_P	207_D	0.998	1.00
180_D	248_E	0.996	1.00
203_S	233_I	0.992	1.00
36_K	270_D	0.991	1.00
281_L	285_E	0.990	1.00
38_K	42_E	0.984	1.00
66_P	98_L	0.980	1.00
85_F	107_I	0.974	1.00
286_E	290_I	0.973	1.00
143_L	159_A	0.970	1.00
235_E	239_L	0.962	1.00
237_L	241_F	0.960	1.00
178_T	201_V	0.956	1.00
77_Y	107_I	0.945	1.00
45_I	80_T	0.944	1.00
22_I	44_L	0.942	1.00
145_N	153_D	0.941	1.00
288_Q	291_K	0.932	1.00
69_K	98_L	0.932	1.00
96_I	136_V	0.930	1.00
41_A	75_A	0.929	1.00
67_E	97_R	0.929	1.00
50_D	225_K	0.927	1.00
134_C	141_V	0.926	1.00
126_L	152_K	0.924	1.00
40_H	264_K	0.923	1.00
127_V	158_V	0.921	1.00
83_I	107_I	0.920	1.00
89_G	94_D	0.916	1.00
265_Y	286_E	0.915	1.00
110_I	141_V	0.915	1.00
285_E	288_Q	0.911	1.00
97_R	101_L	0.909	1.00
213_G	247_I	0.907	1.00
77_Y	105_F	0.906	1.00
87_V	110_I	0.903	1.00
156_A	184_L	0.902	1.00
26_F	275_R	0.901	1.00
97_R	100_K	0.894	1.00
191_Y	208_G	0.892	1.00
128_K	279_F	0.890	1.00
114_A	152_K	0.888	1.00
30_N	93_D	0.885	1.00
18_I	225_K	0.884	1.00
234_D	238_K	0.881	1.00
134_C	165_F	0.881	1.00
202_A	225_K	0.879	1.00
30_N	276_P	0.876	1.00
224_I	239_L	0.873	1.00
203_S	228_A	0.873	1.00
217_L	246_V	0.872	1.00
227_L	239_L	0.871	1.00
284_E	287_R	0.870	1.00
211_A	214_S	0.867	1.00
292_K	295_G	0.866	1.00
100_K	103_K	0.866	1.00
123_E	161_E	0.856	1.00
49_I	218_P	0.854	1.00
54_V	72_N	0.853	1.00
57_T	117_Y	0.850	1.00
203_S	237_L	0.847	1.00
249_A	292_K	0.846	1.00
73_L	107_I	0.846	1.00
28_K	271_L	0.844	1.00
18_I	209_N	0.844	1.00
22_I	52_L	0.843	1.00
198_I	209_N	0.842	1.00
112_S	141_V	0.837	1.00
272_G	286_E	0.837	1.00
245_E	295_G	0.836	1.00
55_N	85_F	0.832	1.00
92_L	96_I	0.832	1.00
18_I	214_S	0.829	1.00
284_E	288_Q	0.821	1.00
73_L	105_F	0.813	1.00
217_L	243_H	0.811	1.00
192_S	201_V	0.809	1.00
266_F	294_E	0.805	1.00
37_L	41_A	0.805	1.00
231_R	234_D	0.800	1.00
265_Y	271_L	0.783	1.00
146_Y	150_T	0.781	1.00
180_D	183_R	0.781	1.00
41_A	52_L	0.779	1.00
39_I	269_Y	0.779	1.00
131_K	161_E	0.779	1.00
67_E	70_L	0.777	1.00
27_T	273_Y	0.777	1.00
200_T	203_S	0.776	1.00
266_F	286_E	0.772	1.00
156_A	160_K	0.771	1.00
272_G	280_P	0.768	1.00
154_I	159_A	0.767	1.00
35_E	39_I	0.766	1.00
102_S	107_I	0.765	1.00
240_Q	244_D	0.764	1.00
162_I	165_F	0.764	1.00
52_L	80_T	0.762	1.00
93_D	97_R	0.758	1.00
106_D	139_H	0.758	1.00
95_A	112_S	0.757	1.00
156_A	177_H	0.756	1.00
27_T	35_E	0.748	1.00
22_I	37_L	0.743	1.00
199_A	228_A	0.741	1.00
185_N	188_M	0.741	1.00
230_E	235_E	0.739	1.00
217_L	220_V	0.737	1.00
114_A	154_I	0.737	1.00
144_Y	169_K	0.736	1.00
51_K	84_I	0.731	1.00
47_K	218_P	0.727	1.00
64_L	72_N	0.720	1.00
244_D	248_E	0.720	1.00
178_T	190_V	0.718	1.00
44_L	49_I	0.714	1.00
45_I	79_V	0.713	1.00
32_I	37_L	0.712	1.00
156_A	180_D	0.710	1.00
15_M	109_G	0.709	1.00
159_A	181_Y	0.708	1.00
70_L	98_L	0.707	1.00
92_L	132_T	0.706	1.00
128_K	276_P	0.706	1.00
178_T	182_K	0.705	1.00
220_V	223_T	0.703	1.00
224_I	228_A	0.698	1.00
33_D	270_D	0.698	1.00
219_E	267_Q	0.697	1.00
74_K	104_D	0.696	1.00
55_N	64_L	0.691	1.00
70_L	105_F	0.689	1.00
19_I	84_I	0.689	1.00
87_V	112_S	0.686	1.00
145_N	170_D	0.686	1.00
66_P	70_L	0.684	1.00
73_L	77_Y	0.680	1.00
70_L	102_S	0.680	1.00
125_H	279_F	0.680	1.00
22_I	76_V	0.679	1.00
123_E	157_K	0.676	0.99
143_L	154_I	0.676	0.99
57_T	144_Y	0.673	0.99
223_T	239_L	0.671	0.99
200_T	204_T	0.670	0.99
43_N	267_Q	0.669	0.99
157_K	180_D	0.664	0.99
287_R	294_E	0.659	0.99
40_H	44_L	0.659	0.99
153_D	174_N	0.657	0.99
176_I	196_M	0.656	0.99
61_G	86_Q	0.655	0.99
273_Y	280_P	0.652	0.99
138_P	164_C	0.652	0.99
179_L	183_R	0.650	0.99
30_N	273_Y	0.649	0.99
264_K	269_Y	0.648	0.99
65_S	93_D	0.645	0.99
264_K	267_Q	0.644	0.99
183_R	241_F	0.644	0.99
44_L	47_K	0.643	0.99
292_K	296_I	0.641	0.99
77_Y	81_N	0.640	0.99
202_A	229_M	0.638	0.99
274_P	278_I	0.638	0.99
253_F	285_E	0.636	0.99
32_I	72_N	0.635	0.99
157_K	160_K	0.633	0.99
94_D	97_R	0.633	0.99
199_A	233_I	0.629	0.99
27_T	30_N	0.627	0.99
266_F	293_V	0.627	0.99
281_L	286_E	0.627	0.99
122_S	253_F	0.625	0.99
198_I	224_I	0.623	0.99
21_P	211_A	0.623	0.99
42_E	45_I	0.621	0.99
16_P	50_D	0.621	0.99
170_D	178_T	0.621	0.99
54_V	83_I	0.620	0.99
142_Y	166_T	0.616	0.99
200_T	240_Q	0.616	0.99
288_Q	292_K	0.615	0.99
55_N	69_K	0.609	0.99
179_L	240_Q	0.609	0.99
160_K	185_N	0.608	0.99
135_E	164_C	0.606	0.99
120_R	148_T	0.603	0.99
179_L	204_T	0.603	0.99
199_A	240_Q	0.602	0.99
158_V	161_E	0.600	0.99
166_T	189_L	0.599	0.99
21_P	195_D	0.597	0.99
182_K	207_D	0.597	0.99
53_F	84_I	0.596	0.99
32_I	75_A	0.595	0.99
21_P	212_A	0.594	0.99
226_K	229_M	0.590	0.99
179_L	200_T	0.589	0.99
49_I	222_V	0.588	0.99
78_D	81_N	0.588	0.99
122_S	125_H	0.586	0.99
23_I	260_Y	0.585	0.99
227_L	230_E	0.584	0.99
167_G	189_L	0.584	0.99
216_Y	263_T	0.583	0.98
84_I	111_A	0.580	0.98
262_L	274_P	0.576	0.98
274_P	279_F	0.574	0.98
34_K	79_V	0.571	0.98
18_I	44_L	0.571	0.98
107_I	139_H	0.571	0.98
67_E	101_L	0.570	0.98
144_Y	171_T	0.569	0.98
48_G	222_V	0.568	0.98
215_N	218_P	0.566	0.98
263_T	289_L	0.564	0.98
198_I	221_T	0.558	0.98
194_S	197_L	0.557	0.98
238_K	241_F	0.557	0.98
177_H	181_Y	0.556	0.98
183_R	245_E	0.556	0.98
228_A	236_A	0.555	0.98
31_R	71_E	0.554	0.98
26_F	68_E	0.553	0.98
124_K	279_F	0.551	0.98
252_I	285_E	0.548	0.98
99_A	133_L	0.545	0.98
174_N	177_H	0.543	0.98
154_I	158_V	0.542	0.98
263_T	266_F	0.541	0.98
86_Q	111_A	0.541	0.98
167_G	188_M	0.539	0.97
103_K	136_V	0.538	0.97
55_N	73_L	0.537	0.97
190_V	201_V	0.534	0.97
227_L	236_A	0.533	0.97
95_A	99_A	0.529	0.97
283_D	290_I	0.527	0.97
142_Y	189_L	0.527	0.97
63_S	92_L	0.526	0.97
175_I	197_L	0.526	0.97
24_T	55_N	0.524	0.97
250_S	260_Y	0.524	0.97
199_A	203_S	0.522	0.97
212_A	260_Y	0.520	0.97
47_K	222_V	0.520	0.97
114_A	130_F	0.520	0.97
77_Y	80_T	0.519	0.97
129_Y	132_T	0.519	0.97
193_G	210_V	0.517	0.97
216_Y	260_Y	0.517	0.97
262_L	281_L	0.513	0.97
213_G	217_L	0.513	0.97
216_Y	264_K	0.511	0.97
93_D	132_T	0.510	0.97
69_K	94_D	0.509	0.96
43_N	218_P	0.509	0.96
181_Y	190_V	0.508	0.96
137_S	164_C	0.508	0.96
239_L	242_L	0.506	0.96
172_I	177_H	0.506	0.96
98_L	102_S	0.505	0.96
112_S	130_F	0.505	0.96
40_H	43_N	0.504	0.96
77_Y	82_K	0.503	0.96
40_H	269_Y	0.503	0.96
246_V	250_S	0.503	0.96
130_F	165_F	0.501	0.96
37_L	75_A	0.500	0.96
249_A	288_Q	0.500	0.96

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
3si9A	3	0.9286	100	0.124	Contact Map
1w3iA	3	0.9351	100	0.127	Contact Map
2r91A	3	0.9221	100	0.128	Contact Map
3na8A	3	0.9188	100	0.128	Contact Map
3cprA	3	0.9513	100	0.13	Contact Map
4oe7A	3	0.9286	100	0.131	Contact Map
2nuwA	3	0.9286	100	0.132	Contact Map
3l21A	5	0.9416	100	0.132	Contact Map
3eb2A	3	0.9221	100	0.135	Contact Map
3a5fA	3	0.9188	100	0.136	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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