SELD - ECOLI - GREMLIN Contacts

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SELD - Selenide, water dikinase

UniProt:	P16456	Sequences: MSENSIRLTQYSHGAGCGCKISPKVLETILHSEQAKFVDPNLLVGNETRDDAAVYDLGNGTSVISTTDFFMPIVDNPFDFGRIAATNAISDIFAMGGKPIMAIAILGWPINKLSPEIAREVTEGGRYACRQAGIALAGGHSIDAPEPIFGLAVTGIVPTERVKKNSTAQAGCKLFLTKPLGIGVLTTAEKKSLLKPEHQGLATEVMCRMNIAGASFANIEGVKAMTDVTGFGLLGHLSEMCQGAGVQARVDYEAIPKLPGVEEYIKLGAVPGGTERNFASYGHLMGEMPREVRDLLCDPQTSGGLLLAVMPEAENEVKATAAEFGIELTAIGELVPARGGRAMVEIR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10943
Length:	347 (285)
Sequences:	11898 (7583)
Seq/√Len:	449.2

ECOLI - SELD HYPE THIL PUR5
BACSU - THIL PURL PUR5
HALSA - Q9HSM1 THIL PURL
SULSO - Q97VC5 Q7LY06 Q980P9 PURL

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
249_R	333_E	3.209	1.00
173_K	330_A	2.886	1.00
251_D	254_A	2.808	1.00
249_R	335_V	2.791	1.00
313_A	316_E	2.618	1.00
309_V	317_V	2.570	1.00
170_A	336_P	2.559	1.00
172_C	223_K	2.470	1.00
173_K	333_E	2.361	1.00
64_I	97_G	2.320	1.00
173_K	314_E	2.288	1.00
174_L	308_A	2.287	1.00
247_Q	335_V	2.247	1.00
241_C	248_A	2.217	1.00
175_F	318_K	2.189	1.00
120_E	123_E	2.157	1.00
56_D	159_T	2.149	1.00
314_E	330_A	2.129	1.00
175_F	328_L	2.061	1.00
78_F	127_Y	2.057	1.00
170_A	246_V	2.047	1.00
246_V	334_L	2.045	1.00
237_L	248_A	2.028	1.00
182_I	190_K	2.027	1.00
310_M	313_A	1.985	1.00
175_F	330_A	1.963	1.00
318_K	328_L	1.936	1.00
221_G	313_A	1.933	1.00
78_F	120_E	1.928	1.00
126_R	130_R	1.905	1.00
247_Q	337_A	1.905	1.00
78_F	123_E	1.881	1.00
311_P	333_E	1.874	1.00
314_E	318_K	1.872	1.00
173_K	311_P	1.845	1.00
237_L	250_V	1.826	1.00
223_K	310_M	1.825	1.00
315_N	319_A	1.817	1.00
219_I	320_T	1.805	1.00
174_L	248_A	1.781	1.00
206_M	209_M	1.768	1.00
100_I	156_I	1.762	1.00
248_A	334_L	1.756	1.00
168_A	224_A	1.753	1.00
60_G	160_E	1.730	1.00
82_R	128_A	1.707	1.00
54_V	64_I	1.706	1.00
60_G	159_T	1.679	1.00
72_P	75_D	1.615	1.00
43_L	62_S	1.605	1.00
62_S	159_T	1.596	1.00
316_E	319_A	1.593	1.00
184_V	187_T	1.568	1.00
127_Y	131_Q	1.562	1.00
66_T	153_V	1.556	1.00
175_F	314_E	1.549	1.00
127_Y	130_R	1.519	1.00
144_A	148_I	1.514	1.00
247_Q	338_R	1.501	1.00
92_I	97_G	1.498	1.00
92_I	153_V	1.487	1.00
330_A	333_E	1.483	1.00
123_E	127_Y	1.477	1.00
175_F	309_V	1.467	1.00
240_M	308_A	1.457	1.00
53_A	137_A	1.439	1.00
106_L	118_A	1.437	1.00
205_V	209_M	1.431	1.00
303_G	331_I	1.430	1.00
224_A	240_M	1.422	1.00
182_I	187_T	1.417	1.00
88_A	153_V	1.415	1.00
183_G	186_T	1.408	1.00
223_K	308_A	1.408	1.00
319_A	323_E	1.406	1.00
71_M	75_D	1.405	1.00
103_I	138_G	1.403	1.00
316_E	320_T	1.400	1.00
79_D	124_G	1.399	1.00
321_A	328_L	1.386	1.00
175_F	317_V	1.384	1.00
128_A	131_Q	1.377	1.00
174_L	306_L	1.368	1.00
65_S	103_I	1.364	1.00
104_A	125_G	1.358	1.00
215_S	218_N	1.351	1.00
225_M	307_L	1.345	1.00
169_Q	223_K	1.344	1.00
52_A	95_M	1.330	1.00
169_Q	310_M	1.330	1.00
172_C	310_M	1.311	1.00
168_A	334_L	1.292	1.00
39_D	98_K	1.288	1.00
163_K	225_M	1.284	1.00
61_T	158_P	1.284	1.00
114_S	117_I	1.281	1.00
225_M	305_L	1.274	1.00
195_K	198_H	1.268	1.00
315_N	318_K	1.237	1.00
69_F	150_G	1.234	1.00
212_A	215_S	1.233	1.00
168_A	308_A	1.230	1.00
157_V	162_V	1.226	1.00
320_T	324_F	1.218	1.00
86_T	128_A	1.217	1.00
183_G	187_T	1.207	1.00
318_K	330_A	1.207	1.00
183_G	188_A	1.185	1.00
94_A	225_M	1.182	1.00
62_S	162_V	1.181	1.00
182_I	258_L	1.178	1.00
108_W	118_A	1.167	1.00
82_R	131_Q	1.165	1.00
228_V	236_H	1.165	1.00
66_T	92_I	1.154	1.00
107_G	144_A	1.150	1.00
318_K	322_A	1.149	1.00
67_T	105_I	1.146	1.00
251_D	333_E	1.138	1.00
213_G	216_F	1.138	1.00
84_A	149_F	1.137	1.00
98_K	214_A	1.133	1.00
129_C	136_L	1.132	1.00
319_A	322_A	1.129	1.00
237_L	306_L	1.123	1.00
64_I	92_I	1.106	1.00
67_T	152_A	1.104	1.00
167_T	223_K	1.103	1.00
206_M	210_N	1.097	1.00
58_G	156_I	1.094	1.00
42_L	45_G	1.089	1.00
61_T	156_I	1.081	1.00
308_A	334_L	1.076	1.00
158_P	161_R	1.074	1.00
57_L	156_I	1.070	1.00
85_A	102_A	1.070	1.00
52_A	64_I	1.063	1.00
62_S	157_V	1.063	1.00
65_S	154_T	1.052	1.00
168_A	240_M	1.042	1.00
320_T	323_E	1.041	1.00
233_L	306_L	1.030	1.00
265_I	272_G	1.022	1.00
54_V	162_V	1.021	1.00
202_A	206_M	1.021	1.00
202_A	205_V	1.018	1.00
161_R	218_N	1.010	1.00
132_A	208_R	1.009	1.00
211_I	215_S	1.009	1.00
30_L	34_Q	1.009	1.00
85_A	129_C	1.004	1.00
101_M	137_A	1.000	1.00
65_S	152_A	0.999	1.00
203_T	206_M	0.996	1.00
82_R	127_Y	0.988	1.00
195_K	200_G	0.987	1.00
213_G	217_A	0.986	1.00
186_T	190_K	0.983	1.00
183_G	190_K	0.979	1.00
102_A	153_V	0.974	1.00
252_Y	272_G	0.973	1.00
164_K	167_T	0.964	1.00
237_L	241_C	0.959	1.00
176_L	303_G	0.958	1.00
77_P	117_I	0.956	1.00
58_G	61_T	0.954	1.00
262_E	266_K	0.952	1.00
56_D	60_G	0.950	1.00
172_C	334_L	0.949	1.00
85_A	125_G	0.948	1.00
214_A	218_N	0.947	1.00
50_D	95_M	0.940	1.00
226_T	306_L	0.939	1.00
106_L	149_F	0.937	1.00
317_V	320_T	0.936	1.00
215_S	219_I	0.932	1.00
82_R	86_T	0.932	1.00
257_K	262_E	0.930	1.00
173_K	309_V	0.924	1.00
182_I	186_T	0.923	1.00
224_A	308_A	0.922	1.00
64_I	157_V	0.922	1.00
186_T	189_E	0.917	1.00
183_G	189_E	0.917	1.00
245_G	337_A	0.916	1.00
249_R	252_Y	0.915	1.00
216_F	317_V	0.913	1.00
187_T	190_K	0.910	1.00
177_T	321_A	0.908	1.00
76_N	79_D	0.904	1.00
102_A	151_L	0.901	1.00
179_P	327_E	0.900	1.00
102_A	125_G	0.900	1.00
89_I	128_A	0.899	1.00
101_M	154_T	0.894	1.00
79_D	82_R	0.894	1.00
41_N	55_Y	0.893	1.00
278_F	301_T	0.892	1.00
174_L	334_L	0.889	1.00
256_P	329_T	0.888	1.00
56_D	62_S	0.886	1.00
50_D	165_N	0.877	1.00
219_I	316_E	0.876	1.00
279_A	282_G	0.872	1.00
33_E	123_E	0.871	1.00
317_V	321_A	0.868	1.00
220_E	320_T	0.867	1.00
101_M	135_A	0.865	1.00
198_H	201_L	0.862	1.00
161_R	220_E	0.860	1.00
226_T	239_E	0.860	1.00
185_L	188_A	0.857	1.00
307_L	317_V	0.853	1.00
241_C	334_L	0.851	1.00
212_A	321_A	0.851	1.00
116_E	120_E	0.850	1.00
191_K	194_L	0.846	1.00
220_E	317_V	0.846	1.00
168_A	244_A	0.842	1.00
182_I	185_L	0.842	1.00
129_C	134_I	0.840	1.00
41_N	56_D	0.840	1.00
89_I	153_V	0.832	1.00
81_G	124_G	0.831	1.00
195_K	201_L	0.830	1.00
211_I	214_A	0.830	1.00
89_I	134_I	0.829	1.00
179_P	182_I	0.826	1.00
55_Y	101_M	0.821	1.00
233_L	237_L	0.819	1.00
196_P	199_Q	0.808	1.00
215_S	324_F	0.807	1.00
98_K	133_G	0.807	1.00
207_C	210_N	0.806	1.00
192_S	195_K	0.800	1.00
263_E	267_L	0.798	1.00
170_A	173_K	0.798	1.00
204_E	207_C	0.796	1.00
176_L	256_P	0.795	1.00
212_A	216_F	0.794	1.00
170_A	335_V	0.794	1.00
33_E	119_R	0.793	1.00
69_F	105_I	0.789	1.00
54_V	95_M	0.787	1.00
98_K	218_N	0.783	1.00
39_D	55_Y	0.779	1.00
43_L	56_D	0.775	1.00
69_F	107_G	0.772	1.00
322_A	327_E	0.768	1.00
203_T	209_M	0.768	1.00
215_S	320_T	0.767	1.00
71_M	74_V	0.766	1.00
54_V	62_S	0.765	1.00
44_V	164_K	0.764	1.00
115_P	119_R	0.763	1.00
85_A	128_A	0.762	1.00
184_V	190_K	0.761	1.00
171_G	333_E	0.759	1.00
185_L	189_E	0.755	1.00
278_F	281_Y	0.751	1.00
52_A	66_T	0.748	1.00
42_L	135_A	0.748	1.00
169_Q	172_C	0.745	1.00
65_S	101_M	0.741	1.00
113_L	118_A	0.737	1.00
121_V	149_F	0.735	1.00
276_R	279_A	0.735	1.00
309_V	314_E	0.734	1.00
119_R	123_E	0.729	1.00
29_I	119_R	0.729	1.00
174_L	178_K	0.729	1.00
62_S	160_E	0.727	1.00
103_I	152_A	0.726	1.00
30_L	33_E	0.725	1.00
203_T	207_C	0.719	1.00
85_A	89_I	0.717	1.00
98_K	156_I	0.714	1.00
68_D	91_D	0.714	1.00
97_G	157_V	0.710	1.00
184_V	188_A	0.709	1.00
41_N	44_V	0.708	1.00
177_T	305_L	0.708	1.00
125_G	149_F	0.705	1.00
195_K	199_Q	0.705	1.00
102_A	129_C	0.703	1.00
265_I	268_G	0.699	1.00
217_A	220_E	0.693	1.00
212_A	326_I	0.692	1.00
228_V	304_G	0.692	1.00
29_I	33_E	0.691	1.00
205_V	210_N	0.691	1.00
212_A	324_F	0.688	1.00
254_A	329_T	0.688	1.00
70_F	87_N	0.684	1.00
228_V	306_L	0.682	1.00
193_L	270_V	0.682	1.00
315_N	330_A	0.678	1.00
117_I	120_E	0.673	1.00
271_P	276_R	0.673	1.00
164_K	168_A	0.672	1.00
256_P	262_E	0.672	1.00
241_C	244_A	0.670	1.00
265_I	270_V	0.669	1.00
121_V	125_G	0.669	1.00
178_K	329_T	0.668	1.00
163_K	222_V	0.665	1.00
217_A	225_M	0.664	1.00
78_F	124_G	0.664	1.00
81_G	121_V	0.661	1.00
82_R	203_T	0.656	1.00
29_I	34_Q	0.655	1.00
56_D	59_N	0.652	1.00
80_F	121_V	0.652	1.00
216_F	220_E	0.651	1.00
165_N	243_G	0.651	1.00
110_I	115_P	0.650	1.00
191_K	195_K	0.645	0.99
262_E	265_I	0.638	0.99
42_L	137_A	0.638	0.99
108_W	121_V	0.637	0.99
103_I	154_T	0.634	0.99
117_I	121_V	0.633	0.99
60_G	158_P	0.632	0.99
278_F	282_G	0.631	0.99
263_E	266_K	0.630	0.99
185_L	261_V	0.628	0.99
311_P	314_E	0.626	0.99
105_I	150_G	0.626	0.99
241_C	246_V	0.622	0.99
40_P	45_G	0.621	0.99
179_P	258_L	0.620	0.99
168_A	223_K	0.620	0.99
28_T	32_S	0.616	0.99
163_K	217_A	0.614	0.99
74_V	147_P	0.609	0.99
176_L	228_V	0.608	0.99
215_S	221_G	0.608	0.99
89_I	132_A	0.608	0.99
129_C	151_L	0.608	0.99
102_A	136_L	0.603	0.99
233_L	331_I	0.603	0.99
110_I	114_S	0.602	0.99
315_N	322_A	0.601	0.99
165_N	168_A	0.599	0.99
39_D	135_A	0.599	0.99
32_S	119_R	0.597	0.99
67_T	150_G	0.597	0.99
235_G	279_A	0.597	0.99
314_E	328_L	0.593	0.99
70_F	84_A	0.593	0.99
213_G	307_L	0.592	0.99
98_K	211_I	0.591	0.99
79_D	120_E	0.589	0.99
67_T	103_I	0.586	0.99
235_G	238_S	0.585	0.99
103_I	137_A	0.584	0.99
179_P	304_G	0.580	0.99
131_Q	211_I	0.580	0.99
202_A	209_M	0.579	0.99
110_I	143_D	0.578	0.99
84_A	151_L	0.577	0.99
174_L	250_V	0.577	0.99
277_N	280_S	0.577	0.99
220_E	313_A	0.576	0.99
107_G	142_I	0.576	0.99
81_G	125_G	0.576	0.99
218_N	221_G	0.573	0.99
39_D	42_L	0.572	0.99
55_Y	65_S	0.571	0.99
38_V	41_N	0.569	0.99
76_N	120_E	0.568	0.99
311_P	330_A	0.568	0.99
112_K	115_P	0.568	0.99
182_I	188_A	0.567	0.99
205_V	208_R	0.567	0.99
88_A	151_L	0.565	0.99
79_D	208_R	0.562	0.99
113_L	116_E	0.562	0.99
194_L	199_Q	0.559	0.99
94_A	305_L	0.559	0.99
207_C	326_I	0.559	0.99
113_L	117_I	0.557	0.99
110_I	113_L	0.557	0.99
178_K	327_E	0.555	0.99
276_R	281_Y	0.554	0.98
211_I	217_A	0.552	0.98
55_Y	137_A	0.551	0.98
221_G	316_E	0.551	0.98
177_T	307_L	0.548	0.98
265_I	277_N	0.547	0.98
168_A	246_V	0.547	0.98
41_N	45_G	0.543	0.98
258_L	327_E	0.542	0.98
180_L	233_L	0.540	0.98
213_G	305_L	0.540	0.98
196_P	200_G	0.538	0.98
116_E	119_R	0.535	0.98
228_V	233_L	0.534	0.98
187_T	230_G	0.534	0.98
108_W	117_I	0.532	0.98
259_P	262_E	0.528	0.98
99_P	134_I	0.527	0.98
180_L	255_I	0.526	0.98
197_E	200_G	0.526	0.98
174_L	240_M	0.525	0.98
183_G	191_K	0.524	0.98
193_L	198_H	0.524	0.98
198_H	260_G	0.523	0.98
236_H	306_L	0.522	0.98
317_V	328_L	0.522	0.98
261_V	268_G	0.522	0.98
176_L	180_L	0.521	0.98
301_T	304_G	0.521	0.98
264_Y	267_L	0.521	0.98
32_S	38_V	0.521	0.98
31_H	34_Q	0.519	0.98
175_F	307_L	0.517	0.98
171_G	334_L	0.513	0.98
44_V	54_V	0.513	0.98
184_V	189_E	0.513	0.98
39_D	43_L	0.510	0.97
34_Q	37_F	0.509	0.97
216_F	219_I	0.508	0.97
68_D	229_T	0.506	0.97
28_T	31_H	0.504	0.97
194_L	201_L	0.501	0.97
277_N	281_Y	0.500	0.97
100_I	154_T	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
3u0oA	2	0.9654	100	0.225	Contact Map
2zodA	2	0.9251	100	0.239	Contact Map
3fd5A	2	0.9193	100	0.289	Contact Map
3wjpA	2	0.8847	100	0.332	Contact Map
3viuA	1	0.8415	100	0.337	Contact Map
3m84A	2	0.902	100	0.338	Contact Map
2z1uA	2	0.8703	100	0.343	Contact Map
2z01A	2	0.8242	100	0.345	Contact Map
3p4eA	2	0.8501	100	0.347	Contact Map
2btuA	2	0.8588	100	0.349	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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