AEEP - BACSU - GREMLIN Contacts

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

UniProt:	O34508	Sequences: MKIIRIETSRIAVPLTKPFKTALRTVYTAESVIVRITYDSGAVGWGEAPPTLVITGDSMDSIESAIHHVLKPALLGKSLAGYEAILHDIQHLLTGNMSAKAAVEMALYDGWAQMCGLPLYQMLGGYRDTLETDYTVSVNSPEEMAADAENYLKQGFQTLKIKVGKDDIATDIARIQEIRKRVGSAVKLRLDANQGWRPKEAVTAIRKMEDAGLGIELVEQPVHKDDLAGLKKVTDATDTPIMADESVFTPRQAFEVLQTRSADLINIKLMKAGGISGAEKINAMAEACGVECMVGSMIETKLGITAAAHFAASKRNITRFDFDAPLMLKTDVFNGGITYSGSTISMPGKPGLGIIGAALLKGEKEQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	366 (313)
Sequences:	12514 (7327)
Seq/√Len:	414.2

ECOLI - GUDD GUDX RHMD RSPA DGOD AEEP MENC
BACSU - AEEP YITF MENC GUDD
HALSA - Q9HS20 Q9HP25 Q9HQN7
SULSO - GAD Q97VG1 ARAD Q97YL9 Q97YR3 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
129_T	343_T	3.444	1.00
77_K	88_D	3.258	1.00
255_E	259_T	3.065	1.00
234_T	263_D	3.049	1.00
197_R	200_E	2.964	1.00
81_G	84_A	2.911	1.00
231_K	235_D	2.776	1.00
34_V	102_A	2.691	1.00
226_D	229_G	2.627	1.00
254_F	258_Q	2.525	1.00
37_T	43_V	2.524	1.00
42_A	110_G	2.447	1.00
35_R	43_V	2.427	1.00
38_Y	110_G	2.403	1.00
232_K	235_D	2.196	1.00
250_P	277_G	2.180	1.00
149_E	181_R	2.147	1.00
63_E	67_H	2.142	1.00
35_R	45_W	2.141	1.00
83_E	280_K	2.132	1.00
231_K	259_T	2.113	1.00
187_K	216_E	2.090	1.00
64_S	68_H	2.064	1.00
205_I	218_V	2.032	1.00
206_R	236_A	2.019	1.00
104_E	276_S	2.009	1.00
38_Y	42_A	2.007	1.00
232_K	236_A	2.002	1.00
206_R	209_E	1.991	1.00
149_E	153_K	1.987	1.00
228_A	259_T	1.965	1.00
173_A	176_Q	1.938	1.00
340_S	345_S	1.927	1.00
257_L	290_V	1.907	1.00
272_A	281_I	1.886	1.00
77_K	84_A	1.851	1.00
202_V	236_A	1.847	1.00
40_S	114_M	1.844	1.00
264_L	291_E	1.833	1.00
205_I	237_T	1.832	1.00
209_E	238_D	1.801	1.00
42_A	114_M	1.788	1.00
131_E	157_Q	1.761	1.00
112_A	119_L	1.748	1.00
118_P	121_Q	1.725	1.00
284_M	288_C	1.721	1.00
253_A	281_I	1.717	1.00
204_A	208_M	1.715	1.00
176_Q	213_L	1.712	1.00
145_A	181_R	1.686	1.00
36_I	107_L	1.655	1.00
48_A	102_A	1.652	1.00
146_A	149_E	1.651	1.00
117_L	121_Q	1.651	1.00
85_I	107_L	1.644	1.00
207_K	210_D	1.636	1.00
258_Q	288_C	1.598	1.00
143_E	146_A	1.587	1.00
141_P	145_A	1.574	1.00
129_T	345_S	1.571	1.00
172_I	207_K	1.562	1.00
42_A	113_Q	1.551	1.00
170_T	173_A	1.549	1.00
222_V	233_V	1.541	1.00
149_E	152_L	1.540	1.00
150_N	153_K	1.525	1.00
283_A	286_E	1.516	1.00
257_L	284_M	1.497	1.00
199_K	232_K	1.485	1.00
279_E	283_A	1.483	1.00
140_S	143_E	1.449	1.00
67_H	71_K	1.443	1.00
146_A	150_N	1.442	1.00
152_L	186_V	1.440	1.00
312_A	346_M	1.438	1.00
33_I	45_W	1.412	1.00
210_D	213_L	1.410	1.00
162_K	166_D	1.410	1.00
177_E	180_K	1.409	1.00
71_K	75_L	1.403	1.00
104_E	108_Y	1.394	1.00
176_Q	180_K	1.387	1.00
255_E	258_Q	1.384	1.00
198_P	232_K	1.383	1.00
38_Y	114_M	1.383	1.00
247_V	256_V	1.382	1.00
254_F	284_M	1.382	1.00
209_E	239_T	1.370	1.00
109_D	113_Q	1.367	1.00
135_T	171_D	1.357	1.00
256_V	262_A	1.347	1.00
80_A	114_M	1.346	1.00
173_A	177_E	1.342	1.00
150_N	154_Q	1.342	1.00
202_V	232_K	1.341	1.00
257_L	288_C	1.341	1.00
198_P	233_V	1.337	1.00
282_N	314_K	1.300	1.00
242_M	264_L	1.298	1.00
206_R	210_D	1.297	1.00
203_T	206_R	1.279	1.00
222_V	229_G	1.272	1.00
77_K	85_I	1.270	1.00
68_H	72_P	1.261	1.00
84_A	88_D	1.259	1.00
225_D	252_Q	1.250	1.00
111_W	115_C	1.242	1.00
198_P	229_G	1.242	1.00
105_M	275_I	1.238	1.00
252_Q	255_E	1.236	1.00
277_G	280_K	1.230	1.00
189_R	217_L	1.228	1.00
159_L	186_V	1.225	1.00
145_A	149_E	1.213	1.00
249_T	252_Q	1.210	1.00
278_A	310_F	1.209	1.00
131_E	343_T	1.202	1.00
89_I	100_K	1.199	1.00
189_R	216_E	1.195	1.00
172_I	213_L	1.192	1.00
117_L	122_M	1.183	1.00
87_H	91_H	1.183	1.00
203_T	207_K	1.181	1.00
190_L	215_I	1.180	1.00
231_K	261_S	1.178	1.00
279_E	314_K	1.177	1.00
167_D	170_T	1.175	1.00
139_N	143_E	1.167	1.00
162_K	193_N	1.166	1.00
175_I	213_L	1.164	1.00
147_D	150_N	1.158	1.00
283_A	287_A	1.153	1.00
112_A	122_M	1.148	1.00
286_E	315_R	1.146	1.00
221_P	233_V	1.137	1.00
47_E	302_L	1.136	1.00
200_E	203_T	1.133	1.00
182_V	188_L	1.132	1.00
78_S	81_G	1.132	1.00
109_D	306_A	1.128	1.00
250_P	284_M	1.127	1.00
202_V	233_V	1.122	1.00
70_L	103_V	1.120	1.00
172_I	176_Q	1.111	1.00
82_Y	111_W	1.109	1.00
253_A	265_I	1.103	1.00
39_D	79_L	1.095	1.00
280_K	283_A	1.091	1.00
181_R	184_S	1.091	1.00
105_M	306_A	1.087	1.00
148_A	152_L	1.081	1.00
161_I	178_I	1.080	1.00
80_A	115_C	1.077	1.00
206_R	238_D	1.076	1.00
192_A	218_V	1.074	1.00
269_L	278_A	1.072	1.00
201_A	205_I	1.068	1.00
265_I	285_A	1.065	1.00
209_E	237_T	1.062	1.00
148_A	182_V	1.056	1.00
221_P	241_I	1.039	1.00
80_A	111_W	1.035	1.00
85_I	88_D	1.035	1.00
61_S	64_S	1.031	1.00
115_C	122_M	1.028	1.00
291_E	318_T	1.027	1.00
284_M	287_A	1.023	1.00
196_W	204_A	1.019	1.00
234_T	260_R	1.018	1.00
196_W	201_A	1.018	1.00
152_L	159_L	1.016	1.00
145_A	180_K	1.014	1.00
243_A	256_V	1.012	1.00
108_Y	276_S	1.011	1.00
176_Q	210_D	1.009	1.00
260_R	290_V	0.999	1.00
108_Y	275_I	0.998	1.00
77_K	81_G	0.996	1.00
179_R	183_G	0.991	1.00
33_I	302_L	0.984	1.00
66_I	103_V	0.982	1.00
220_Q	266_N	0.982	1.00
242_M	266_N	0.973	1.00
169_A	173_A	0.973	1.00
147_D	151_Y	0.971	1.00
294_V	316_N	0.970	1.00
145_A	182_V	0.966	1.00
280_K	286_E	0.966	1.00
268_K	295_G	0.951	1.00
148_A	159_L	0.941	1.00
32_V	63_E	0.939	1.00
192_A	205_I	0.938	1.00
198_P	202_V	0.929	1.00
83_E	279_E	0.929	1.00
229_G	232_K	0.927	1.00
79_L	107_L	0.926	1.00
73_A	88_D	0.925	1.00
247_V	253_A	0.924	1.00
184_S	214_G	0.916	1.00
254_F	288_C	0.915	1.00
119_L	123_L	0.906	1.00
233_V	241_I	0.902	1.00
164_G	171_D	0.901	1.00
201_A	222_V	0.898	1.00
142_E	146_A	0.895	1.00
257_L	265_I	0.888	1.00
178_I	182_V	0.884	1.00
70_L	93_L	0.881	1.00
141_P	177_E	0.881	1.00
272_A	278_A	0.878	1.00
175_I	208_M	0.878	1.00
151_Y	154_Q	0.877	1.00
141_P	173_A	0.873	1.00
228_A	231_K	0.867	1.00
175_I	190_L	0.865	1.00
240_P	318_T	0.862	1.00
279_E	313_S	0.861	1.00
158_T	189_R	0.861	1.00
168_I	172_I	0.860	1.00
37_T	41_G	0.859	1.00
179_R	188_L	0.857	1.00
36_I	44_G	0.855	1.00
262_A	265_I	0.854	1.00
210_D	238_D	0.853	1.00
123_L	279_E	0.847	1.00
250_P	280_K	0.840	1.00
199_K	203_T	0.840	1.00
227_L	261_S	0.838	1.00
74_L	77_K	0.837	1.00
215_I	239_T	0.834	1.00
222_V	230_L	0.834	1.00
177_E	181_R	0.834	1.00
235_D	260_R	0.832	1.00
282_N	286_E	0.832	1.00
111_W	122_M	0.831	1.00
86_L	276_S	0.825	1.00
90_Q	277_G	0.825	1.00
282_N	292_C	0.824	1.00
38_Y	79_L	0.820	1.00
168_I	204_A	0.816	1.00
339_Y	344_I	0.812	1.00
248_F	252_Q	0.811	1.00
129_T	341_G	0.809	1.00
228_A	255_E	0.808	1.00
179_R	214_G	0.803	1.00
247_V	262_A	0.802	1.00
244_D	268_K	0.799	1.00
132_T	135_T	0.798	1.00
179_R	185_A	0.797	1.00
198_P	222_V	0.797	1.00
86_L	104_E	0.794	1.00
294_V	311_A	0.792	1.00
282_N	294_V	0.790	1.00
230_L	243_A	0.789	1.00
243_A	262_A	0.788	1.00
269_L	310_F	0.786	1.00
79_L	111_W	0.784	1.00
119_L	275_I	0.784	1.00
60_D	64_S	0.781	1.00
146_A	153_K	0.779	1.00
64_S	67_H	0.778	1.00
192_A	196_W	0.777	1.00
227_L	256_V	0.776	1.00
308_A	346_M	0.773	1.00
45_W	302_L	0.771	1.00
269_L	307_A	0.771	1.00
338_T	345_S	0.768	1.00
120_Y	309_H	0.767	1.00
172_I	210_D	0.763	1.00
37_T	45_W	0.761	1.00
134_Y	156_F	0.761	1.00
117_L	125_G	0.757	1.00
83_E	87_H	0.755	1.00
227_L	255_E	0.752	1.00
182_V	186_V	0.752	1.00
267_I	278_A	0.750	1.00
172_I	182_V	0.749	1.00
145_A	148_A	0.744	1.00
134_Y	151_Y	0.744	1.00
340_S	343_T	0.740	1.00
275_I	306_A	0.740	1.00
115_C	118_P	0.739	1.00
247_V	252_Q	0.736	1.00
306_A	310_F	0.733	1.00
36_I	74_L	0.731	1.00
253_A	290_V	0.730	1.00
267_I	282_N	0.728	1.00
202_V	237_T	0.722	1.00
66_I	71_K	0.720	1.00
163_V	192_A	0.717	1.00
146_A	181_R	0.716	1.00
73_A	77_K	0.712	1.00
201_A	233_V	0.711	1.00
265_I	290_V	0.710	1.00
120_Y	346_M	0.707	1.00
79_L	114_M	0.705	1.00
44_G	113_Q	0.705	1.00
143_E	147_D	0.705	1.00
171_D	196_W	0.704	1.00
230_L	241_I	0.700	1.00
169_A	207_K	0.696	1.00
129_T	340_S	0.694	1.00
72_P	75_L	0.693	1.00
196_W	218_V	0.692	1.00
156_F	159_L	0.689	1.00
148_A	151_Y	0.688	1.00
34_V	66_I	0.686	1.00
86_L	90_Q	0.685	1.00
115_C	125_G	0.685	1.00
285_A	290_V	0.682	1.00
232_K	260_R	0.682	1.00
279_E	310_F	0.681	1.00
81_G	121_Q	0.681	1.00
100_K	274_G	0.681	1.00
305_T	309_H	0.680	1.00
308_A	344_I	0.679	1.00
108_Y	119_L	0.678	1.00
275_I	279_E	0.675	1.00
37_T	40_S	0.669	0.99
250_P	281_I	0.669	0.99
227_L	259_T	0.667	0.99
202_V	222_V	0.666	0.99
251_R	254_F	0.665	0.99
86_L	89_I	0.665	0.99
164_G	167_D	0.663	0.99
170_T	174_R	0.663	0.99
88_D	91_H	0.662	0.99
144_M	148_A	0.661	0.99
253_A	285_A	0.659	0.99
78_S	121_Q	0.658	0.99
267_I	292_C	0.656	0.99
123_L	275_I	0.655	0.99
44_G	106_A	0.655	0.99
145_A	177_E	0.648	0.99
144_M	147_D	0.648	0.99
250_P	254_F	0.645	0.99
175_I	188_L	0.643	0.99
63_E	66_I	0.642	0.99
234_T	241_I	0.641	0.99
233_V	237_T	0.638	0.99
132_T	293_M	0.637	0.99
144_M	177_E	0.634	0.99
85_I	89_I	0.631	0.99
44_G	109_D	0.631	0.99
286_E	292_C	0.629	0.99
158_T	187_K	0.627	0.99
123_L	313_S	0.627	0.99
83_E	276_S	0.627	0.99
148_A	178_I	0.626	0.99
266_N	295_G	0.623	0.99
32_V	59_M	0.623	0.99
202_V	206_R	0.620	0.99
176_Q	181_R	0.620	0.99
292_C	316_N	0.619	0.99
87_H	90_Q	0.616	0.99
110_G	114_M	0.614	0.99
144_M	150_N	0.614	0.99
82_Y	85_I	0.614	0.99
38_Y	41_G	0.612	0.99
286_E	316_N	0.609	0.99
112_A	117_L	0.609	0.99
217_L	293_M	0.607	0.99
205_I	239_T	0.607	0.99
108_Y	123_L	0.604	0.99
175_I	182_V	0.603	0.99
157_Q	341_G	0.602	0.99
79_L	82_Y	0.602	0.99
43_V	113_Q	0.601	0.99
230_L	233_V	0.600	0.99
65_A	99_A	0.600	0.99
144_M	174_R	0.600	0.99
285_A	292_C	0.599	0.99
265_I	281_I	0.598	0.99
133_D	189_R	0.595	0.99
311_A	320_F	0.595	0.99
39_D	42_A	0.592	0.99
112_A	115_C	0.592	0.99
220_Q	245_E	0.591	0.99
203_T	236_A	0.591	0.99
60_D	68_H	0.590	0.99
66_I	99_A	0.589	0.99
216_E	240_P	0.588	0.99
130_L	133_D	0.587	0.99
180_K	184_S	0.585	0.99
148_A	181_R	0.585	0.99
111_W	114_M	0.584	0.99
46_G	102_A	0.584	0.99
161_I	175_I	0.584	0.99
144_M	151_Y	0.583	0.99
107_L	111_W	0.581	0.99
296_S	304_I	0.580	0.99
79_L	110_G	0.580	0.99
32_V	62_I	0.579	0.99
163_V	166_D	0.578	0.98
253_A	267_I	0.577	0.98
61_S	65_A	0.576	0.98
129_T	133_D	0.574	0.98
220_Q	244_D	0.574	0.98
328_L	331_D	0.572	0.98
159_L	182_V	0.572	0.98
109_D	305_T	0.571	0.98
220_Q	246_S	0.569	0.98
46_G	106_A	0.564	0.98
204_A	207_K	0.563	0.98
156_F	160_K	0.562	0.98
161_I	167_D	0.559	0.98
252_Q	261_S	0.559	0.98
270_M	297_M	0.554	0.98
183_G	186_V	0.554	0.98
122_M	125_G	0.551	0.98
179_R	184_S	0.550	0.98
146_A	151_Y	0.548	0.98
36_I	106_A	0.548	0.98
205_I	233_V	0.548	0.98
119_L	122_M	0.547	0.98
157_Q	185_A	0.547	0.98
144_M	149_E	0.545	0.98
269_L	275_I	0.545	0.98
172_I	175_I	0.545	0.98
194_Q	246_S	0.545	0.98
119_L	309_H	0.543	0.98
160_K	163_V	0.542	0.98
82_Y	276_S	0.541	0.98
145_A	151_Y	0.541	0.98
152_L	182_V	0.540	0.98
113_Q	116_G	0.539	0.98
261_S	290_V	0.537	0.98
145_A	153_K	0.537	0.98
175_I	215_I	0.536	0.98
82_Y	107_L	0.536	0.98
304_I	308_A	0.535	0.98
199_K	202_V	0.535	0.98
234_T	261_S	0.535	0.98
231_K	260_R	0.534	0.97
159_L	163_V	0.531	0.97
194_Q	224_K	0.531	0.97
59_M	63_E	0.530	0.97
163_V	196_W	0.530	0.97
198_P	226_D	0.530	0.97
142_E	145_A	0.530	0.97
87_H	280_K	0.529	0.97
146_A	152_L	0.529	0.97
160_K	164_G	0.527	0.97
66_I	102_A	0.526	0.97
131_E	187_K	0.525	0.97
179_R	213_L	0.523	0.97
176_Q	207_K	0.522	0.97
237_T	241_I	0.521	0.97
86_L	100_K	0.519	0.97
278_A	294_V	0.518	0.97
192_A	201_A	0.518	0.97
251_R	255_E	0.517	0.97
262_A	290_V	0.516	0.97
71_K	103_V	0.516	0.97
205_I	208_M	0.516	0.97
322_F	325_P	0.514	0.97
74_L	103_V	0.514	0.97
85_I	103_V	0.511	0.97
74_L	107_L	0.511	0.97
144_M	153_K	0.510	0.97
70_L	89_I	0.509	0.97
97_M	101_A	0.507	0.97
230_L	261_S	0.507	0.97
172_I	208_M	0.506	0.97
311_A	317_I	0.505	0.97
190_L	208_M	0.504	0.96
148_A	153_K	0.502	0.96
89_I	274_G	0.501	0.96
143_E	151_Y	0.501	0.96
50_P	62_I	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
3s5sA	2	0.9699	100	0.071	Contact Map
3u9iA	2	0.9372	100	0.084	Contact Map
3i4kA	4	0.9945	100	0.088	Contact Map
2p8bA	5	0.9863	100	0.089	Contact Map
3dgbA	5	0.9945	100	0.089	Contact Map
3fcpA	5	0.9536	100	0.091	Contact Map
3q45A	3	0.9891	100	0.093	Contact Map
4m0xA	5	0.9945	100	0.097	Contact Map
2qdeA	5	0.9617	100	0.098	Contact Map
3r0uA	2	0.9891	100	0.099	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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