AEEP - ECOLI - GREMLIN Contacts

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AEEP - L-Ala-D/L-Glu epimerase

UniProt:	P51981	Sequences: MRTVKVFEEAWPLHTPFVIARGSRSEARVVVVELEEEGIKGTGECTPYPRYGESDASVMAQIMSVVPQLEKGLTREELQKILPAGAARNALDCALWDLAARRQQQSLADLIGITLPETVITAQTVVIGTPDQMANSASTLWQAGAKLLKVKLDNHLISERMVAIRTAVPDATLIVDANESWRAEGLAARCQLLADLGVAMLEQPLPAQDDAALENFIHPLPICADESCHTRSNLKALKGRYEMVNIKLDKTGGLTEALALATEARAQGFSLMLGCMLCTSRAISAALPLVPQVSFADLDGPTWLAVDVEPALQFTTGELHL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13228
Length:	321 (299)
Sequences:	9087 (5851)
Seq/√Len:	338.3

ECOLI - AEEP GUDX GUDD RHMD RSPA DGOD MENC
BACSU - YITF AEEP MENC GUDD
HALSA - Q9HP25 Q9HS20 Q9HQN7
SULSO - Q97YR3 GAD ARAD Q97YL9 Q97VG1 Q97UK8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
217_I	242_E	3.565	1.00
39_I	98_L	3.283	1.00
35_E	40_K	3.028	1.00
33_E	40_K	2.949	1.00
209_D	212_A	2.926	1.00
231_R	256_E	2.854	1.00
138_S	167_A	2.806	1.00
182_R	185_G	2.755	1.00
70_E	81_I	2.658	1.00
92_D	255_T	2.538	1.00
190_C	201_L	2.518	1.00
214_E	218_H	2.488	1.00
251_T	260_L	2.443	1.00
191_Q	194_A	2.373	1.00
194_A	219_P	2.368	1.00
215_N	218_H	2.329	1.00
138_S	142_Q	2.293	1.00
134_A	167_A	2.280	1.00
100_A	107_L	2.273	1.00
130_P	134_A	2.266	1.00
39_I	102_R	2.188	1.00
162_V	196_L	2.184	1.00
120_I	146_K	2.162	1.00
172_T	199_A	2.148	1.00
158_S	192_L	2.108	1.00
74_T	77_E	2.091	1.00
214_E	238_K	2.077	1.00
129_T	132_Q	2.031	1.00
211_A	238_K	1.956	1.00
105_Q	109_D	1.912	1.00
141_W	171_A	1.889	1.00
192_L	195_D	1.888	1.00
163_A	166_T	1.880	1.00
183_A	215_N	1.816	1.00
92_D	96_W	1.792	1.00
189_R	193_L	1.786	1.00
34_L	95_L	1.781	1.00
183_A	216_F	1.773	1.00
205_L	216_F	1.753	1.00
18_V	23_S	1.751	1.00
159_E	162_V	1.741	1.00
162_V	166_T	1.732	1.00
194_A	220_L	1.726	1.00
64_S	68_Q	1.721	1.00
139_T	143_A	1.704	1.00
258_L	262_T	1.688	1.00
256_E	259_A	1.684	1.00
175_V	198_V	1.660	1.00
148_L	171_A	1.653	1.00
45_C	90_A	1.637	1.00
158_S	196_L	1.617	1.00
162_V	195_D	1.606	1.00
174_I	199_A	1.594	1.00
39_I	101_R	1.585	1.00
156_L	159_E	1.583	1.00
33_E	42_T	1.583	1.00
106_S	109_D	1.577	1.00
132_Q	135_N	1.554	1.00
151_K	178_N	1.546	1.00
187_A	216_F	1.536	1.00
56_A	60_A	1.534	1.00
99_A	103_Q	1.531	1.00
100_A	110_L	1.529	1.00
138_S	141_W	1.476	1.00
223_C	243_M	1.470	1.00
234_L	260_L	1.460	1.00
32_V	90_A	1.457	1.00
230_T	233_N	1.456	1.00
135_N	138_S	1.454	1.00
71_K	74_T	1.444	1.00
257_A	289_L	1.442	1.00
262_T	265_R	1.434	1.00
75_R	99_A	1.423	1.00
114_T	117_E	1.419	1.00
259_A	265_R	1.400	1.00
97_D	101_R	1.371	1.00
135_N	139_T	1.366	1.00
237_L	241_Y	1.365	1.00
59_M	63_M	1.365	1.00
76_E	259_A	1.359	1.00
141_W	148_L	1.347	1.00
150_V	164_I	1.339	1.00
168_V	173_L	1.330	1.00
137_A	168_V	1.330	1.00
70_E	77_E	1.319	1.00
37_E	102_R	1.310	1.00
224_A	237_L	1.292	1.00
96_W	255_T	1.285	1.00
223_C	245_N	1.282	1.00
191_Q	219_P	1.280	1.00
158_S	162_V	1.279	1.00
205_L	212_A	1.261	1.00
303_W	307_D	1.256	1.00
128_G	132_Q	1.253	1.00
265_R	294_S	1.250	1.00
235_K	263_E	1.244	1.00
161_M	175_V	1.236	1.00
139_T	142_Q	1.232	1.00
248_L	257_A	1.220	1.00
31_V	42_T	1.217	1.00
165_R	173_L	1.216	1.00
78_L	82_L	1.212	1.00
73_L	102_R	1.204	1.00
161_M	196_L	1.203	1.00
263_E	267_Q	1.202	1.00
140_L	143_A	1.201	1.00
73_L	99_A	1.200	1.00
70_E	74_T	1.200	1.00
134_A	166_T	1.199	1.00
147_L	174_I	1.195	1.00
60_A	63_M	1.193	1.00
153_D	157_I	1.192	1.00
134_A	168_V	1.190	1.00
55_D	59_M	1.188	1.00
137_A	148_L	1.188	1.00
296_A	300_G	1.188	1.00
297_D	300_G	1.185	1.00
244_V	264_A	1.180	1.00
103_Q	110_L	1.177	1.00
234_L	244_V	1.168	1.00
53_E	57_S	1.168	1.00
263_E	266_A	1.167	1.00
131_D	135_N	1.164	1.00
259_A	262_T	1.164	1.00
165_R	170_D	1.158	1.00
247_K	274_G	1.157	1.00
168_V	171_A	1.155	1.00
130_P	163_A	1.155	1.00
188_A	191_Q	1.150	1.00
187_A	215_N	1.145	1.00
251_T	257_A	1.134	1.00
183_A	212_A	1.133	1.00
82_L	88_R	1.122	1.00
246_I	257_A	1.121	1.00
163_A	167_A	1.118	1.00
188_A	192_L	1.118	1.00
31_V	281_R	1.114	1.00
134_A	138_S	1.111	1.00
181_W	201_L	1.111	1.00
233_N	236_A	1.109	1.00
203_Q	245_N	1.100	1.00
177_A	201_L	1.096	1.00
105_Q	110_L	1.088	1.00
79_Q	83_P	1.081	1.00
229_H	233_N	1.080	1.00
304_L	307_D	1.072	1.00
75_R	78_L	1.067	1.00
181_W	189_R	1.061	1.00
77_E	81_I	1.060	1.00
177_A	181_W	1.059	1.00
159_E	163_A	1.057	1.00
235_K	267_Q	1.057	1.00
93_C	285_A	1.055	1.00
228_C	234_L	1.054	1.00
217_I	239_G	1.053	1.00
107_L	254_L	1.048	1.00
211_A	236_A	1.046	1.00
53_E	58_V	1.044	1.00
79_Q	82_L	1.043	1.00
231_R	263_E	1.043	1.00
213_L	224_A	1.043	1.00
224_A	241_Y	1.041	1.00
258_L	292_Q	1.036	1.00
198_V	220_L	1.035	1.00
63_M	67_P	1.035	1.00
161_M	193_L	1.029	1.00
296_A	299_D	1.023	1.00
123_Q	145_A	1.023	1.00
36_E	72_G	1.019	1.00
152_L	177_A	1.017	1.00
16_P	23_S	1.012	1.00
241_Y	244_V	1.007	1.00
123_Q	140_L	1.007	1.00
107_L	111_I	1.006	1.00
70_E	78_L	1.004	1.00
78_L	81_I	0.994	1.00
205_L	213_L	0.990	1.00
130_P	159_E	0.983	1.00
35_E	42_T	0.982	1.00
297_D	301_P	0.982	1.00
212_A	215_N	0.975	1.00
63_M	68_Q	0.975	1.00
261_A	293_V	0.972	1.00
169_P	197_G	0.957	1.00
43_G	90_A	0.953	1.00
150_V	161_M	0.950	1.00
76_E	258_L	0.948	1.00
216_F	222_I	0.947	1.00
164_I	168_V	0.944	1.00
42_T	281_R	0.939	1.00
60_A	64_S	0.936	1.00
289_L	292_Q	0.932	1.00
215_N	239_G	0.930	1.00
231_R	259_A	0.927	1.00
136_S	139_T	0.923	1.00
303_W	306_V	0.914	1.00
137_A	164_I	0.911	1.00
57_S	60_A	0.905	1.00
228_C	233_N	0.904	1.00
35_E	38_G	0.901	1.00
57_S	61_Q	0.901	1.00
73_L	103_Q	0.898	1.00
134_A	163_A	0.894	1.00
183_A	187_A	0.886	1.00
174_I	200_M	0.875	1.00
62_I	91_L	0.874	1.00
135_N	167_A	0.871	1.00
111_I	254_L	0.866	1.00
239_G	269_F	0.862	1.00
185_G	188_A	0.862	1.00
183_A	205_L	0.861	1.00
98_L	102_R	0.861	1.00
79_Q	255_T	0.859	1.00
147_L	172_T	0.859	1.00
228_C	237_L	0.857	1.00
152_L	181_W	0.854	1.00
41_G	94_A	0.854	1.00
204_P	222_I	0.853	1.00
75_R	82_L	0.853	1.00
165_R	197_G	0.847	1.00
214_E	240_R	0.845	1.00
191_Q	195_D	0.845	1.00
246_I	271_L	0.845	1.00
158_S	195_D	0.841	1.00
99_A	110_L	0.838	1.00
210_D	240_R	0.828	1.00
225_D	247_K	0.828	1.00
68_Q	71_K	0.826	1.00
93_C	254_L	0.826	1.00
292_Q	295_F	0.825	1.00
133_M	160_R	0.820	1.00
64_S	67_P	0.817	1.00
187_A	191_Q	0.817	1.00
99_A	102_R	0.815	1.00
72_G	75_R	0.815	1.00
78_L	95_L	0.812	1.00
186_L	216_F	0.806	1.00
65_V	68_Q	0.801	1.00
217_I	222_I	0.800	1.00
83_P	256_E	0.792	1.00
108_A	288_P	0.788	1.00
141_W	168_V	0.786	1.00
310_P	313_Q	0.784	1.00
156_L	160_R	0.781	1.00
122_A	174_I	0.778	1.00
203_Q	225_D	0.773	1.00
210_D	238_K	0.769	1.00
210_D	236_A	0.766	1.00
68_Q	72_G	0.766	1.00
148_L	168_V	0.765	1.00
107_L	288_P	0.763	1.00
61_Q	68_Q	0.762	1.00
157_I	181_W	0.757	1.00
165_R	196_L	0.755	1.00
100_A	105_Q	0.754	1.00
210_D	237_L	0.753	1.00
245_N	274_G	0.750	1.00
103_Q	106_S	0.744	0.99
190_C	220_L	0.743	0.99
184_E	188_A	0.741	0.99
61_Q	64_S	0.739	0.99
44_E	279_T	0.739	0.99
36_E	102_R	0.734	0.99
138_S	168_V	0.733	0.99
257_A	273_L	0.729	0.99
146_K	170_D	0.726	0.99
203_Q	227_S	0.725	0.99
244_V	269_F	0.722	0.99
232_S	235_K	0.719	0.99
199_A	221_P	0.718	0.99
100_A	103_Q	0.718	0.99
96_W	107_L	0.716	0.99
120_I	172_T	0.713	0.99
109_D	114_T	0.713	0.99
213_L	216_F	0.711	0.99
93_C	281_R	0.710	0.99
264_A	269_F	0.708	0.99
95_L	99_A	0.707	0.99
136_S	140_L	0.705	0.99
183_A	209_D	0.702	0.99
59_M	64_S	0.701	0.99
254_L	285_A	0.701	0.99
288_P	291_P	0.700	0.99
74_T	109_D	0.699	0.99
107_L	110_L	0.698	0.99
179_E	207_A	0.698	0.99
288_P	292_Q	0.696	0.99
121_T	124_T	0.693	0.99
187_A	190_C	0.692	0.99
297_D	302_T	0.692	0.99
79_Q	92_D	0.691	0.99
278_C	282_A	0.691	0.99
137_A	167_A	0.691	0.99
217_I	240_R	0.690	0.99
158_S	189_R	0.688	0.99
211_A	214_E	0.688	0.99
275_C	283_I	0.687	0.99
36_E	39_I	0.685	0.99
141_W	167_A	0.682	0.99
41_G	97_D	0.680	0.99
63_M	66_V	0.677	0.99
218_H	239_G	0.676	0.99
118_T	316_T	0.676	0.99
279_T	282_A	0.673	0.99
92_D	253_G	0.673	0.99
254_L	289_L	0.671	0.99
46_T	49_P	0.669	0.99
65_V	81_I	0.666	0.99
261_A	271_L	0.666	0.99
296_A	301_P	0.662	0.99
254_L	258_L	0.660	0.99
179_E	227_S	0.660	0.99
284_S	288_P	0.659	0.99
192_L	196_L	0.656	0.99
264_A	271_L	0.655	0.99
132_Q	136_S	0.655	0.99
152_L	175_V	0.653	0.99
75_R	83_P	0.650	0.99
50_R	54_S	0.648	0.99
32_V	91_L	0.642	0.99
131_D	134_A	0.635	0.98
306_V	309_E	0.629	0.98
72_G	98_L	0.628	0.98
93_C	249_D	0.628	0.98
93_C	107_L	0.626	0.98
299_D	302_T	0.625	0.98
47_P	86_A	0.624	0.98
55_D	58_V	0.622	0.98
106_S	110_L	0.622	0.98
71_K	109_D	0.622	0.98
165_R	169_P	0.622	0.98
111_I	258_L	0.620	0.98
130_P	156_L	0.617	0.98
282_A	286_A	0.613	0.98
243_M	270_S	0.610	0.98
175_V	193_L	0.610	0.98
287_L	312_L	0.607	0.98
125_V	137_A	0.607	0.98
151_K	176_D	0.606	0.98
232_S	236_A	0.604	0.98
162_V	192_L	0.603	0.98
71_K	79_Q	0.603	0.98
209_D	268_G	0.603	0.98
248_L	286_A	0.602	0.98
95_L	98_L	0.600	0.98
252_G	256_E	0.600	0.98
258_L	293_V	0.599	0.98
134_A	137_A	0.599	0.98
109_D	113_I	0.597	0.98
44_E	281_R	0.596	0.98
284_S	287_L	0.596	0.98
256_E	260_L	0.594	0.98
106_S	112_G	0.593	0.98
56_A	59_M	0.592	0.97
124_T	151_K	0.590	0.97
108_A	114_T	0.589	0.97
158_S	193_L	0.588	0.97
214_E	239_G	0.587	0.97
128_G	136_S	0.584	0.97
30_V	59_M	0.584	0.97
303_W	308_V	0.582	0.97
189_R	192_L	0.580	0.97
186_L	190_C	0.580	0.97
262_T	266_A	0.580	0.97
96_W	254_L	0.580	0.97
46_T	278_C	0.578	0.97
186_L	205_L	0.574	0.97
158_S	161_M	0.574	0.97
45_C	86_A	0.573	0.97
134_A	164_I	0.572	0.97
200_M	272_M	0.570	0.97
99_A	109_D	0.570	0.97
213_L	222_I	0.568	0.97
234_L	246_I	0.567	0.97
157_I	160_R	0.565	0.97
20_A	180_S	0.565	0.97
83_P	88_R	0.564	0.97
261_A	265_R	0.562	0.97
275_C	278_C	0.560	0.96
66_V	91_L	0.559	0.96
244_V	260_L	0.559	0.96
47_P	250_K	0.558	0.96
118_T	315_T	0.556	0.96
221_P	243_M	0.556	0.96
40_K	101_R	0.556	0.96
133_M	137_A	0.556	0.96
72_G	79_Q	0.555	0.96
89_N	93_C	0.554	0.96
137_A	141_W	0.551	0.96
105_Q	113_I	0.551	0.96
203_Q	226_E	0.551	0.96
161_M	198_V	0.549	0.96
131_D	163_A	0.546	0.96
198_V	201_L	0.542	0.96
80_K	84_A	0.541	0.96
249_D	276_M	0.541	0.96
165_R	171_A	0.540	0.96
97_D	100_A	0.538	0.96
85_G	88_R	0.538	0.96
75_R	79_Q	0.537	0.96
96_W	100_A	0.536	0.96
179_E	203_Q	0.536	0.96
71_K	82_L	0.536	0.96
61_Q	65_V	0.535	0.95
213_L	240_R	0.533	0.95
97_D	106_S	0.533	0.95
175_V	201_L	0.531	0.95
86_A	250_K	0.530	0.95
166_T	196_L	0.530	0.95
141_W	170_D	0.528	0.95
245_N	272_M	0.528	0.95
108_A	112_G	0.528	0.95
66_V	78_L	0.524	0.95
59_M	91_L	0.524	0.95
208_Q	232_S	0.524	0.95
160_R	164_I	0.524	0.95
71_K	81_I	0.522	0.95
234_L	269_F	0.522	0.95
60_A	68_Q	0.522	0.95
98_L	101_R	0.522	0.95
200_M	243_M	0.521	0.95
147_L	199_A	0.520	0.95
195_D	198_V	0.519	0.95
16_P	25_S	0.518	0.95
261_A	295_F	0.518	0.95
137_A	163_A	0.518	0.95
157_I	177_A	0.516	0.95
42_T	101_R	0.516	0.95
96_W	110_L	0.515	0.94
45_C	87_A	0.515	0.94
63_M	91_L	0.513	0.94
231_R	235_K	0.511	0.94
150_V	160_R	0.509	0.94
30_V	58_V	0.508	0.94
121_T	145_A	0.508	0.94
89_N	252_G	0.508	0.94
201_L	220_L	0.507	0.94
186_L	201_L	0.506	0.94
190_C	222_I	0.505	0.94
44_E	282_A	0.505	0.94
53_E	64_S	0.505	0.94
91_L	95_L	0.505	0.94
211_A	215_N	0.504	0.94
74_T	78_L	0.503	0.94
248_L	289_L	0.503	0.94
246_I	261_A	0.501	0.94
298_L	302_T	0.500	0.94
59_M	62_I	0.500	0.94

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
1jpdX	1	0.9813	100	0.118	Contact Map
4gfiA	2	0.9782	100	0.154	Contact Map
3ijlA	2	0.9813	100	0.155	Contact Map
3s5sA	2	0.9907	100	0.157	Contact Map
3u9iA	2	0.9595	100	0.163	Contact Map
1sjdA	5	0.9875	100	0.163	Contact Map
1r0mA	2	0.9564	100	0.166	Contact Map
2zc8A	5	0.9875	100	0.168	Contact Map
1wufA	2	0.9875	100	0.17	Contact Map
3qldA	2	0.9875	100	0.171	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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