SSUD - ECOLI - GREMLIN Contacts

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SSUD - Alkanesulfonate monooxygenase

UniProt:	P80645	Sequences: MSLNMFWFLPTHGDGHYLGTEEGSRPVDHGYLQQIAQAADRLGYTGVLIPTGRSCEDAWLVAASMIPVTQRLKFLVALRPSVTSPTVAARQAATLDRLSNGRALFNLVTGSDPQELAGDGVFLDHSERYEASAEFTQVWRRLLQRETVDFNGKHIHVRGAKLLFPAIQQPYPPLYFGGSSDVAQELAAEQVDLYLTWGEPPELVKEKIEQVRAKAAAHGRKIRFGIRLHVIVRETNDEAWQAAERLISHLDDETIAKAQAAFARTDSVGQQRMAALHNGKRDNLEISPNLWAGVGLVRGGAGTALVGDGPTVAARINEYAALGIDSFVLSGYPHLEEAYRVGELLFPLLDVAIPEIPQPQPLNPQGEAVANDFIPRKVAQS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13706
Length:	381 (308)
Sequences:	13859 (8688)
Seq/√Len:	495.0

ECOLI - SSUD RUTA YHBW
BACSU - SSUD YXEK MOXC YDDN YWCH YTMO YCEB YVBT
HALSA - Q9HQZ9
SULSO - Q97Y17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
236_N	311_T	5.679	1.00
151_N	156_H	3.374	1.00
37_Q	68_V	3.311	1.00
236_N	308_D	3.126	1.00
133_A	189_E	2.692	1.00
38_A	41_R	2.609	1.00
38_A	339_Y	2.603	1.00
235_T	238_E	2.585	1.00
236_N	240_W	2.534	1.00
73_K	104_L	2.491	1.00
209_E	213_A	2.489	1.00
40_D	71_R	2.472	1.00
62_A	74_F	2.454	1.00
315_R	318_E	2.414	1.00
310_P	348_L	2.383	1.00
185_E	214_K	2.370	1.00
208_I	224_F	2.267	1.00
233_R	238_E	2.257	1.00
130_E	153_K	2.252	1.00
184_Q	210_Q	2.230	1.00
317_N	321_A	2.204	1.00
66_I	99_S	2.199	1.00
308_D	311_T	2.184	1.00
313_A	348_L	2.161	1.00
341_V	345_L	2.140	1.00
339_Y	343_E	2.070	1.00
30_G	100_N	2.065	1.00
33_Q	37_Q	2.035	1.00
237_D	241_Q	2.003	1.00
234_E	344_L	2.002	1.00
42_L	342_G	1.994	1.00
205_K	209_E	1.990	1.00
37_Q	41_R	1.986	1.00
137_Q	190_Q	1.975	1.00
36_A	65_M	1.959	1.00
208_I	212_R	1.955	1.00
213_A	217_A	1.932	1.00
124_D	127_E	1.931	1.00
210_Q	214_K	1.927	1.00
34_Q	37_Q	1.917	1.00
336_E	339_Y	1.892	1.00
215_A	222_I	1.884	1.00
188_A	214_K	1.867	1.00
96_D	101_G	1.854	1.00
244_E	248_S	1.816	1.00
33_Q	68_V	1.795	1.00
127_E	153_K	1.792	1.00
66_I	74_F	1.763	1.00
144_Q	171_Y	1.740	1.00
38_A	335_L	1.687	1.00
34_Q	335_L	1.671	1.00
47_V	72_L	1.662	1.00
65_M	74_F	1.651	1.00
92_A	103_A	1.636	1.00
305_L	312_V	1.621	1.00
38_A	42_L	1.610	1.00
185_E	217_A	1.588	1.00
137_Q	141_R	1.563	1.00
210_Q	213_A	1.541	1.00
140_R	171_Y	1.535	1.00
57_D	91_Q	1.526	1.00
149_D	159_G	1.510	1.00
127_E	130_E	1.507	1.00
33_Q	64_S	1.506	1.00
48_L	75_L	1.506	1.00
24_S	27_V	1.497	1.00
232_V	312_V	1.485	1.00
206_E	209_E	1.483	1.00
234_E	336_E	1.474	1.00
238_E	242_A	1.470	1.00
36_A	47_V	1.468	1.00
344_L	348_L	1.468	1.00
336_E	340_R	1.454	1.00
310_P	314_A	1.451	1.00
178_G	194_Y	1.438	1.00
290_L	293_G	1.427	1.00
130_E	154_H	1.424	1.00
41_R	70_Q	1.419	1.00
311_T	314_A	1.396	1.00
141_R	145_R	1.391	1.00
185_E	189_E	1.389	1.00
214_K	217_A	1.385	1.00
140_R	190_Q	1.378	1.00
313_A	317_N	1.366	1.00
226_I	324_I	1.357	1.00
34_Q	38_A	1.355	1.00
331_G	335_L	1.352	1.00
36_A	69_T	1.348	1.00
311_T	315_R	1.343	1.00
64_S	67_P	1.343	1.00
140_R	174_L	1.330	1.00
83_T	91_Q	1.323	1.00
241_Q	244_E	1.315	1.00
30_G	34_Q	1.292	1.00
340_R	344_L	1.284	1.00
309_G	340_R	1.274	1.00
317_N	320_A	1.266	1.00
215_A	220_R	1.265	1.00
57_D	60_L	1.259	1.00
233_R	239_A	1.252	1.00
113_P	117_A	1.248	1.00
27_V	31_Y	1.241	1.00
34_Q	331_G	1.240	1.00
137_Q	150_F	1.236	1.00
133_A	190_Q	1.228	1.00
231_I	242_A	1.225	1.00
151_N	158_R	1.220	1.00
318_E	321_A	1.214	1.00
314_A	318_E	1.213	1.00
92_A	105_F	1.212	1.00
232_V	309_G	1.201	1.00
49_I	65_M	1.197	1.00
188_A	218_H	1.196	1.00
40_D	70_Q	1.194	1.00
141_R	150_F	1.194	1.00
223_R	325_D	1.169	1.00
238_E	241_Q	1.167	1.00
117_A	158_R	1.164	1.00
127_E	154_H	1.163	1.00
185_E	218_H	1.156	1.00
75_L	104_L	1.155	1.00
234_E	238_E	1.154	1.00
333_P	336_E	1.152	1.00
189_E	218_H	1.151	1.00
60_L	63_A	1.147	1.00
49_I	62_A	1.140	1.00
64_S	98_L	1.138	1.00
36_A	72_L	1.137	1.00
88_A	135_F	1.129	1.00
157_V	160_A	1.124	1.00
140_R	192_D	1.119	1.00
147_T	159_G	1.117	1.00
107_L	136_T	1.116	1.00
175_Y	225_G	1.115	1.00
59_W	91_Q	1.113	1.00
40_D	69_T	1.105	1.00
138_V	155_I	1.103	1.00
138_V	150_F	1.093	1.00
134_E	152_G	1.085	1.00
185_E	210_Q	1.083	1.00
37_Q	70_Q	1.078	1.00
131_A	134_E	1.074	1.00
62_A	76_V	1.072	1.00
64_S	68_V	1.066	1.00
243_A	247_I	1.066	1.00
41_R	339_Y	1.061	1.00
232_V	340_R	1.058	1.00
243_A	306_V	1.056	1.00
201_P	318_E	1.052	1.00
133_A	137_Q	1.046	1.00
42_L	338_A	1.045	1.00
238_E	333_P	1.043	1.00
182_V	185_E	1.042	1.00
111_S	115_E	1.032	1.00
240_W	244_E	1.024	1.00
139_W	143_L	1.016	1.00
136_T	190_Q	1.015	1.00
287_S	290_L	1.007	1.00
242_A	340_R	1.003	1.00
181_D	210_Q	1.002	1.00
39_A	338_A	1.000	1.00
175_Y	193_L	0.993	1.00
96_D	170_P	0.992	1.00
138_V	141_R	0.990	1.00
307_G	312_V	0.987	1.00
87_V	91_Q	0.981	1.00
228_L	316_I	0.977	1.00
26_P	30_G	0.976	1.00
214_K	218_H	0.976	1.00
105_F	139_W	0.972	1.00
241_Q	245_R	0.970	1.00
205_K	322_L	0.963	1.00
230_V	329_L	0.962	1.00
262_F	265_T	0.962	1.00
228_L	305_L	0.961	1.00
95_L	103_A	0.960	1.00
329_L	341_V	0.959	1.00
242_A	333_P	0.948	1.00
141_R	146_E	0.945	1.00
195_L	225_G	0.944	1.00
150_F	153_K	0.943	1.00
96_D	169_Q	0.937	1.00
138_V	157_V	0.937	1.00
184_Q	188_A	0.931	1.00
233_R	242_A	0.931	1.00
31_Y	331_G	0.930	1.00
203_L	206_E	0.930	1.00
46_G	75_L	0.929	1.00
313_A	345_L	0.923	1.00
44_Y	342_G	0.922	1.00
134_E	153_K	0.920	1.00
23_G	31_Y	0.917	1.00
29_H	98_L	0.915	1.00
66_I	103_A	0.909	1.00
130_E	182_V	0.908	1.00
31_Y	34_Q	0.903	1.00
245_R	248_S	0.901	1.00
97_R	170_P	0.900	1.00
184_Q	214_K	0.888	1.00
186_L	190_Q	0.887	1.00
249_H	252_D	0.885	1.00
206_E	210_Q	0.880	1.00
60_L	95_L	0.876	1.00
314_A	317_N	0.875	1.00
146_E	149_D	0.873	1.00
240_W	301_A	0.873	1.00
140_R	144_Q	0.872	1.00
337_E	340_R	0.867	1.00
232_V	345_L	0.866	1.00
338_A	342_G	0.864	1.00
67_P	99_S	0.863	1.00
335_L	339_Y	0.858	1.00
237_D	240_W	0.854	1.00
176_F	183_A	0.853	1.00
168_Q	171_Y	0.851	1.00
131_A	135_F	0.848	1.00
41_R	343_E	0.847	1.00
234_E	340_R	0.844	1.00
200_P	203_L	0.841	1.00
110_G	115_E	0.839	1.00
30_G	33_Q	0.838	1.00
143_L	172_P	0.835	1.00
215_A	218_H	0.833	1.00
114_Q	117_A	0.832	1.00
136_T	176_F	0.832	1.00
264_R	267_S	0.831	1.00
34_Q	41_R	0.829	1.00
176_F	187_A	0.826	1.00
248_S	252_D	0.818	1.00
342_G	346_F	0.815	1.00
244_E	247_I	0.811	1.00
35_I	338_A	0.803	1.00
22_E	25_R	0.801	1.00
133_A	186_L	0.800	1.00
305_L	315_R	0.797	1.00
142_L	148_V	0.797	1.00
290_L	295_G	0.784	1.00
127_E	131_A	0.784	1.00
251_D	254_T	0.783	1.00
25_R	28_D	0.783	1.00
223_R	326_S	0.779	1.00
160_A	164_F	0.777	1.00
215_A	221_K	0.774	1.00
211_V	215_A	0.774	1.00
185_E	213_A	0.773	1.00
196_T	207_K	0.770	1.00
211_V	222_I	0.769	1.00
96_D	171_Y	0.768	1.00
194_Y	211_V	0.766	1.00
135_F	139_W	0.766	1.00
235_T	239_A	0.763	1.00
141_R	148_V	0.763	1.00
62_A	66_I	0.762	1.00
242_A	245_R	0.761	1.00
62_A	95_L	0.760	1.00
212_R	216_A	0.760	1.00
240_W	243_A	0.756	1.00
295_G	298_R	0.755	1.00
230_V	341_V	0.754	1.00
129_Y	182_V	0.752	1.00
63_A	67_P	0.748	1.00
78_L	108_V	0.744	1.00
202_E	205_K	0.744	1.00
126_S	182_V	0.743	1.00
150_F	155_I	0.741	1.00
112_D	115_E	0.740	1.00
33_Q	65_M	0.739	1.00
107_L	174_L	0.733	1.00
134_E	138_V	0.732	1.00
208_I	322_L	0.727	1.00
263_A	267_S	0.726	1.00
141_R	144_Q	0.725	1.00
317_N	348_L	0.725	1.00
317_N	349_L	0.722	1.00
137_Q	140_R	0.721	1.00
59_W	79_R	0.717	1.00
109_T	128_R	0.714	1.00
147_T	161_K	0.706	1.00
239_A	243_A	0.705	1.00
93_A	166_A	0.702	1.00
231_I	243_A	0.700	1.00
92_A	143_L	0.700	1.00
49_I	61_V	0.700	1.00
260_A	263_A	0.699	1.00
209_E	323_G	0.697	1.00
176_F	186_L	0.695	1.00
85_P	138_V	0.694	1.00
292_A	296_L	0.694	1.00
137_Q	189_E	0.694	1.00
212_R	325_D	0.694	1.00
162_L	165_P	0.694	1.00
181_D	214_K	0.692	1.00
62_A	103_A	0.691	1.00
35_I	335_L	0.688	1.00
133_A	182_V	0.686	1.00
52_G	55_C	0.685	1.00
289_N	293_G	0.684	1.00
75_L	175_Y	0.682	1.00
28_D	31_Y	0.680	1.00
149_D	158_R	0.679	1.00
46_G	326_S	0.678	1.00
218_H	221_K	0.677	1.00
201_P	205_K	0.676	1.00
189_E	214_K	0.676	1.00
212_R	323_G	0.674	1.00
29_H	64_S	0.672	1.00
33_Q	67_P	0.672	1.00
263_A	266_D	0.671	1.00
83_T	87_V	0.670	1.00
31_Y	35_I	0.670	1.00
89_A	166_A	0.669	1.00
84_S	87_V	0.669	1.00
151_N	154_H	0.668	1.00
38_A	342_G	0.667	1.00
66_I	95_L	0.667	1.00
181_D	185_E	0.666	1.00
29_H	33_Q	0.666	1.00
291_W	294_V	0.665	1.00
52_G	56_E	0.661	1.00
138_V	142_L	0.661	1.00
332_Y	335_L	0.661	1.00
234_E	309_G	0.661	1.00
254_T	257_K	0.660	1.00
74_F	99_S	0.660	1.00
288_P	291_W	0.656	1.00
44_Y	346_F	0.652	1.00
233_R	340_R	0.652	1.00
252_D	256_A	0.652	1.00
63_A	99_S	0.649	1.00
245_R	249_H	0.648	1.00
104_L	175_Y	0.646	1.00
161_K	165_P	0.645	1.00
296_L	300_G	0.643	1.00
85_P	135_F	0.642	1.00
39_A	72_L	0.637	1.00
189_E	217_A	0.635	1.00
30_G	70_Q	0.630	1.00
73_K	173_P	0.629	1.00
78_L	88_A	0.627	1.00
230_V	305_L	0.625	1.00
227_R	328_V	0.624	1.00
96_D	166_A	0.624	1.00
88_A	139_W	0.622	1.00
184_Q	211_V	0.619	1.00
184_Q	194_Y	0.619	1.00
86_T	142_L	0.619	1.00
291_W	295_G	0.618	1.00
292_A	295_G	0.617	1.00
53_R	90_R	0.617	1.00
187_A	194_Y	0.616	1.00
48_L	77_A	0.615	1.00
240_W	306_V	0.614	1.00
76_V	103_A	0.614	1.00
83_T	88_A	0.613	0.99
42_L	335_L	0.608	0.99
232_V	341_V	0.608	0.99
247_I	250_L	0.607	0.99
109_T	132_S	0.605	0.99
78_L	177_G	0.605	0.99
232_V	308_D	0.605	0.99
313_A	349_L	0.605	0.99
257_K	260_A	0.604	0.99
224_F	324_I	0.603	0.99
261_A	264_R	0.603	0.99
40_D	72_L	0.601	0.99
253_E	257_K	0.600	0.99
188_A	215_A	0.597	0.99
131_A	155_I	0.596	0.99
225_G	326_S	0.593	0.99
46_G	328_V	0.593	0.99
251_D	255_I	0.592	0.99
69_T	102_R	0.590	0.99
259_Q	263_A	0.589	0.99
176_F	191_V	0.589	0.99
79_R	110_G	0.589	0.99
230_V	312_V	0.582	0.99
165_P	168_Q	0.582	0.99
211_V	224_F	0.581	0.99
181_D	206_E	0.580	0.99
61_V	94_T	0.579	0.99
117_A	120_G	0.579	0.99
297_V	300_G	0.578	0.99
208_I	211_V	0.578	0.99
225_G	328_V	0.578	0.99
198_G	204_V	0.574	0.99
116_L	121_V	0.572	0.99
64_S	99_S	0.569	0.99
45_T	71_R	0.569	0.99
60_L	94_T	0.568	0.99
199_E	203_L	0.567	0.99
30_G	67_P	0.566	0.99
193_L	223_R	0.566	0.99
305_L	319_Y	0.565	0.99
309_G	343_E	0.565	0.99
262_F	266_D	0.565	0.99
212_R	224_F	0.564	0.99
47_V	65_M	0.562	0.99
309_G	344_L	0.559	0.99
62_A	99_S	0.559	0.99
54_S	112_D	0.559	0.99
105_F	174_L	0.559	0.99
96_D	99_S	0.558	0.99
229_H	330_S	0.558	0.99
45_T	73_K	0.558	0.99
107_L	139_W	0.557	0.99
303_T	315_R	0.557	0.99
212_R	215_A	0.555	0.99
229_H	304_A	0.555	0.99
134_E	137_Q	0.554	0.99
175_Y	326_S	0.553	0.99
59_W	92_A	0.551	0.99
310_P	344_L	0.550	0.99
316_I	329_L	0.545	0.99
253_E	256_A	0.545	0.99
107_L	176_F	0.544	0.99
60_L	64_S	0.544	0.99
57_D	94_T	0.542	0.99
249_H	253_E	0.539	0.99
296_L	299_G	0.537	0.99
35_I	331_G	0.535	0.99
179_S	198_G	0.534	0.99
182_V	186_L	0.534	0.99
27_V	30_G	0.534	0.99
173_P	223_R	0.533	0.99
93_A	97_R	0.532	0.99
63_A	95_L	0.530	0.99
89_A	143_L	0.530	0.99
51_T	83_T	0.529	0.99
125_H	128_R	0.529	0.99
183_A	186_L	0.528	0.99
179_S	197_W	0.527	0.98
32_L	35_I	0.527	0.98
289_N	292_A	0.525	0.98
33_Q	36_A	0.523	0.98
289_N	294_V	0.522	0.98
86_T	160_A	0.521	0.98
138_V	152_G	0.519	0.98
242_A	336_E	0.517	0.98
59_W	87_V	0.517	0.98
106_N	177_G	0.517	0.98
202_E	302_G	0.516	0.98
69_T	72_L	0.515	0.98
235_T	308_D	0.515	0.98
23_G	27_V	0.514	0.98
143_L	174_L	0.512	0.98
202_E	299_G	0.511	0.98
111_S	116_L	0.511	0.98
88_A	92_A	0.510	0.98
110_G	113_P	0.508	0.98
293_G	296_L	0.507	0.98
310_P	313_A	0.507	0.98
216_A	221_K	0.506	0.98
246_L	250_L	0.506	0.98
42_L	343_E	0.506	0.98
298_R	301_A	0.505	0.98
258_A	262_F	0.503	0.98
60_L	91_Q	0.503	0.98
239_A	306_V	0.503	0.98
32_L	65_M	0.501	0.98
294_V	298_R	0.501	0.98
99_S	103_A	0.501	0.98
320_A	324_I	0.500	0.98

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
1nqkA	4	0.8924	100	0.245	Contact Map
3sdoA	2	0.9895	100	0.251	Contact Map
1tvlA	2	0.9081	100	0.257	Contact Map
3b9oA	2	0.9738	100	0.261	Contact Map
3raoA	2	0.8819	100	0.291	Contact Map
2wgkA	2	0.8714	100	0.304	Contact Map
1ezwA	3	0.8556	100	0.312	Contact Map
2i7gA	2	0.8478	100	0.312	Contact Map
1lucA	1	0.811	100	0.32	Contact Map
1z69A	4	0.8373	100	0.329	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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