SSUD - BACSU - GREMLIN Contacts

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SSUD - Alkanesulfonate monooxygenase

UniProt:	P40402	Sequences: MEILWFIPTHGDARYLGSESDGRTADHLYFKQVAQAADRLGYTGVLLPTGRSCEDPWLTASALAGETKDLKFLVAVRPGLMQPSLAARMTSTLDRISDGRLLINVVAGGDPYELAGDGLFISHDERYEATDEFLTVWRRLLQGETVSYEGKHIKVENSNLLFPPQQEPHPPIYFGGSSQAGIEAAAKHTDVYLTWGEPPEQVKEKIERVKKQAAKEGRSVRFGIRLHVIARETEQEAWEAAERLISHLDDDTIAKAQAALSRYDSSGQQRMAVLHQGDRTKLEISPNLWAGIGLVRGGAGTALVGDPQTIADRIAEYQALGIESFIFSGYPHLEEAYYFAELVFPLLPFENDRTRKLQNKRGEAVGNTYFVKEKNA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	376 (308)
Sequences:	14430 (9165)
Seq/√Len:	522.2

ECOLI - SSUD RUTA YHBW
BACSU - SSUD YXEK MOXC YDDN YTMO YCEB YWCH 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
234_E	309_T	5.524	1.00
149_E	154_K	3.407	1.00
35_Q	66_E	3.279	1.00
234_E	306_D	3.013	1.00
36_A	39_R	2.610	1.00
36_A	337_Y	2.596	1.00
131_D	187_K	2.582	1.00
71_K	102_L	2.501	1.00
233_T	236_E	2.483	1.00
234_E	238_W	2.480	1.00
38_D	69_D	2.456	1.00
313_R	316_E	2.439	1.00
207_E	211_K	2.378	1.00
60_A	72_F	2.364	1.00
183_E	212_Q	2.359	1.00
308_Q	346_L	2.293	1.00
64_A	97_S	2.250	1.00
231_R	236_E	2.215	1.00
306_D	309_T	2.175	1.00
311_A	346_L	2.171	1.00
128_E	151_K	2.169	1.00
206_I	222_F	2.166	1.00
182_I	208_R	2.145	1.00
28_L	98_D	2.083	1.00
339_F	343_V	2.067	1.00
337_Y	341_E	2.065	1.00
31_K	35_Q	2.047	1.00
135_T	188_H	2.009	1.00
211_K	215_K	2.006	1.00
203_K	207_E	1.981	1.00
208_R	212_Q	1.966	1.00
35_Q	39_R	1.960	1.00
213_A	220_V	1.942	1.00
34_A	63_L	1.935	1.00
122_S	125_E	1.929	1.00
232_E	342_L	1.899	1.00
40_L	340_A	1.885	1.00
235_Q	239_E	1.871	1.00
206_I	210_K	1.867	1.00
242_E	246_S	1.866	1.00
316_E	319_A	1.856	1.00
142_Q	169_H	1.854	1.00
94_D	99_G	1.849	1.00
32_Q	35_Q	1.838	1.00
186_A	212_Q	1.819	1.00
315_A	318_Q	1.771	1.00
31_K	66_E	1.770	1.00
45_V	70_L	1.740	1.00
334_E	337_Y	1.730	1.00
125_E	151_K	1.730	1.00
203_K	319_A	1.716	1.00
64_A	72_F	1.714	1.00
32_Q	333_L	1.649	1.00
303_L	310_I	1.637	1.00
90_T	101_L	1.623	1.00
36_A	333_L	1.620	1.00
63_L	72_F	1.605	1.00
135_T	139_R	1.602	1.00
204_E	207_E	1.574	1.00
46_L	73_L	1.568	1.00
36_A	40_L	1.557	1.00
236_E	240_A	1.554	1.00
183_E	215_K	1.541	1.00
55_D	89_M	1.525	1.00
138_R	169_H	1.508	1.00
208_R	211_K	1.500	1.00
31_K	62_A	1.492	1.00
22_G	25_A	1.492	1.00
334_E	338_Y	1.481	1.00
34_A	45_V	1.479	1.00
128_E	152_H	1.459	1.00
212_Q	215_K	1.447	1.00
147_S	157_N	1.436	1.00
139_R	143_G	1.421	1.00
230_A	310_I	1.417	1.00
176_G	192_Y	1.398	1.00
224_I	322_I	1.385	1.00
232_E	334_E	1.383	1.00
311_A	315_A	1.383	1.00
342_L	346_L	1.375	1.00
309_T	312_D	1.374	1.00
183_E	187_K	1.362	1.00
138_R	188_H	1.357	1.00
125_E	128_E	1.355	1.00
308_Q	312_D	1.346	1.00
309_T	313_R	1.331	1.00
39_R	68_K	1.322	1.00
138_R	172_I	1.321	1.00
135_T	148_Y	1.313	1.00
111_P	115_A	1.298	1.00
62_A	65_G	1.297	1.00
329_G	333_L	1.295	1.00
338_Y	342_L	1.286	1.00
32_Q	36_A	1.283	1.00
213_A	218_R	1.275	1.00
34_A	67_T	1.270	1.00
81_M	89_M	1.269	1.00
28_L	32_Q	1.266	1.00
288_L	291_G	1.262	1.00
239_E	242_E	1.246	1.00
145_T	157_N	1.244	1.00
307_P	338_Y	1.232	1.00
236_E	239_E	1.228	1.00
25_A	29_Y	1.224	1.00
90_T	103_I	1.223	1.00
98_D	165_Q	1.222	1.00
231_R	237_A	1.214	1.00
55_D	58_L	1.212	1.00
261_S	264_D	1.212	1.00
312_D	316_E	1.210	1.00
264_D	267_G	1.207	1.00
229_I	240_A	1.203	1.00
186_A	216_E	1.199	1.00
131_D	188_H	1.188	1.00
32_Q	329_G	1.185	1.00
173_Y	223_G	1.182	1.00
230_A	307_P	1.173	1.00
47_L	63_L	1.165	1.00
183_E	208_R	1.151	1.00
221_R	323_E	1.150	1.00
149_E	156_E	1.149	1.00
34_A	70_L	1.146	1.00
125_E	152_H	1.134	1.00
38_D	68_K	1.133	1.00
47_L	60_A	1.131	1.00
132_E	150_G	1.128	1.00
58_L	61_S	1.126	1.00
216_E	219_S	1.123	1.00
73_L	102_L	1.123	1.00
331_P	334_E	1.122	1.00
131_D	135_T	1.118	1.00
187_K	216_E	1.113	1.00
264_D	268_Q	1.107	1.00
38_D	67_T	1.106	1.00
139_R	148_Y	1.101	1.00
183_E	216_E	1.101	1.00
138_R	190_D	1.101	1.00
139_R	144_E	1.095	1.00
179_Q	208_R	1.093	1.00
232_E	236_E	1.092	1.00
285_S	288_L	1.087	1.00
62_A	96_I	1.082	1.00
35_Q	68_K	1.080	1.00
136_V	148_Y	1.079	1.00
62_A	66_E	1.078	1.00
57_W	89_M	1.068	1.00
86_A	133_F	1.067	1.00
137_W	141_L	1.060	1.00
105_V	134_L	1.056	1.00
241_A	245_I	1.053	1.00
136_V	153_I	1.048	1.00
115_A	156_E	1.047	1.00
180_A	183_E	1.047	1.00
129_A	132_E	1.046	1.00
230_A	338_Y	1.039	1.00
262_R	265_S	1.038	1.00
238_W	242_E	1.029	1.00
265_S	268_Q	1.023	1.00
199_P	316_E	1.022	1.00
39_R	337_Y	1.020	1.00
40_L	336_A	1.019	1.00
253_I	256_A	1.019	1.00
94_D	168_P	1.015	1.00
93_L	101_L	1.003	1.00
293_G	296_R	1.000	1.00
236_E	331_P	0.991	1.00
173_Y	191_V	0.987	1.00
315_A	319_A	0.983	1.00
155_V	158_S	0.982	1.00
134_L	188_H	0.981	1.00
305_G	310_I	0.980	1.00
37_A	336_A	0.975	1.00
241_A	304_V	0.974	1.00
226_L	303_L	0.973	1.00
144_E	147_S	0.971	1.00
327_F	339_F	0.964	1.00
212_Q	216_E	0.959	1.00
109_G	113_E	0.957	1.00
50_G	54_E	0.953	1.00
228_V	327_F	0.949	1.00
213_A	219_S	0.947	1.00
103_I	137_W	0.946	1.00
239_E	243_R	0.943	1.00
136_V	139_R	0.938	1.00
182_I	186_A	0.937	1.00
58_L	93_L	0.935	1.00
21_D	29_Y	0.931	1.00
136_V	155_V	0.931	1.00
85_L	89_M	0.929	1.00
231_R	240_A	0.929	1.00
24_T	28_L	0.928	1.00
226_L	314_I	0.928	1.00
258_A	261_S	0.920	1.00
148_Y	151_K	0.913	1.00
203_K	320_L	0.913	1.00
44_G	73_L	0.909	1.00
247_H	250_D	0.909	1.00
184_A	188_H	0.909	1.00
240_A	338_Y	0.907	1.00
29_Y	32_Q	0.890	1.00
243_R	246_S	0.889	1.00
311_A	343_V	0.887	1.00
29_Y	329_G	0.885	1.00
335_E	338_Y	0.875	1.00
193_L	223_G	0.873	1.00
260_L	265_S	0.873	1.00
42_Y	340_A	0.868	1.00
232_E	338_Y	0.867	1.00
235_Q	238_W	0.866	1.00
39_R	341_E	0.864	1.00
128_E	180_A	0.864	1.00
182_I	212_Q	0.862	1.00
94_D	167_E	0.858	1.00
27_H	96_I	0.857	1.00
261_S	265_S	0.856	1.00
95_R	165_Q	0.856	1.00
213_A	216_E	0.853	1.00
336_A	340_A	0.849	1.00
303_L	313_R	0.846	1.00
95_R	168_P	0.842	1.00
240_A	331_P	0.840	1.00
230_A	343_V	0.840	1.00
238_W	299_A	0.839	1.00
204_E	208_R	0.838	1.00
238_W	241_A	0.837	1.00
64_A	101_L	0.836	1.00
131_D	184_A	0.835	1.00
177_S	196_G	0.835	1.00
65_G	97_S	0.834	1.00
138_R	142_Q	0.832	1.00
140_L	146_V	0.830	1.00
201_Q	204_E	0.827	1.00
108_G	113_E	0.827	1.00
221_R	324_S	0.827	1.00
198_P	201_Q	0.824	1.00
141_L	170_P	0.819	1.00
262_R	266_S	0.819	1.00
129_A	133_F	0.819	1.00
333_L	337_Y	0.815	1.00
20_S	23_R	0.809	1.00
207_E	321_G	0.806	1.00
174_F	185_A	0.805	1.00
132_E	151_K	0.802	1.00
32_Q	39_R	0.800	1.00
312_D	315_A	0.800	1.00
60_A	64_A	0.799	1.00
254_A	257_Q	0.797	1.00
246_S	250_D	0.795	1.00
28_L	31_K	0.793	1.00
174_F	181_G	0.793	1.00
340_A	344_F	0.792	1.00
242_E	245_I	0.791	1.00
254_A	258_A	0.782	1.00
263_Y	266_S	0.781	1.00
91_S	164_P	0.777	1.00
259_A	262_R	0.776	1.00
94_D	169_H	0.769	1.00
145_T	159_N	0.767	1.00
183_E	211_K	0.764	1.00
263_Y	267_G	0.763	1.00
209_V	220_V	0.750	1.00
110_D	113_E	0.750	1.00
33_V	336_A	0.748	1.00
23_R	26_D	0.746	1.00
94_D	164_P	0.745	1.00
294_L	298_G	0.742	1.00
255_K	259_A	0.740	1.00
240_A	243_R	0.738	1.00
228_V	339_F	0.738	1.00
60_A	74_V	0.738	1.00
253_I	257_Q	0.732	1.00
61_S	65_G	0.732	1.00
210_K	214_A	0.732	1.00
131_D	180_A	0.730	1.00
26_D	29_Y	0.728	1.00
125_E	129_A	0.727	1.00
194_T	205_K	0.726	1.00
102_L	173_Y	0.725	1.00
139_R	146_V	0.723	1.00
192_Y	209_V	0.721	1.00
127_Y	180_A	0.719	1.00
60_A	93_L	0.718	1.00
315_A	347_L	0.717	1.00
257_Q	262_R	0.717	1.00
243_R	247_H	0.717	1.00
139_R	142_Q	0.714	1.00
158_S	162_F	0.709	1.00
134_L	174_F	0.707	1.00
124_D	180_A	0.707	1.00
260_L	263_Y	0.706	1.00
50_G	53_C	0.704	1.00
64_A	93_L	0.704	1.00
179_Q	212_Q	0.703	1.00
206_I	209_V	0.699	1.00
77_R	108_G	0.694	1.00
294_L	297_G	0.691	1.00
133_F	137_W	0.690	1.00
315_A	346_L	0.688	1.00
147_S	156_E	0.686	1.00
233_T	237_A	0.685	1.00
83_P	136_V	0.685	1.00
47_L	59_T	0.685	1.00
76_V	106_V	0.684	1.00
76_V	86_A	0.681	1.00
82_Q	85_L	0.679	1.00
185_A	192_Y	0.679	1.00
31_K	63_L	0.676	1.00
72_F	97_S	0.675	1.00
228_V	303_L	0.675	1.00
107_A	126_R	0.674	1.00
200_E	203_K	0.674	1.00
209_V	213_A	0.671	1.00
287_N	290_A	0.671	1.00
60_A	101_L	0.670	1.00
179_Q	183_E	0.670	1.00
132_E	136_V	0.669	1.00
289_W	292_I	0.668	1.00
229_I	241_A	0.666	1.00
33_V	333_L	0.666	1.00
174_F	184_A	0.664	1.00
112_Y	115_A	0.662	1.00
199_P	203_K	0.659	1.00
37_A	70_L	0.654	1.00
232_E	307_P	0.653	1.00
86_A	137_W	0.652	1.00
83_P	133_F	0.651	1.00
105_V	172_I	0.649	1.00
287_N	291_G	0.648	1.00
210_K	323_E	0.648	1.00
135_T	138_R	0.646	1.00
46_L	75_A	0.646	1.00
330_Y	333_L	0.646	1.00
27_H	62_A	0.646	1.00
255_K	260_L	0.645	1.00
182_I	192_Y	0.645	1.00
129_A	153_I	0.645	1.00
259_A	264_D	0.643	1.00
44_G	324_S	0.641	1.00
81_M	85_L	0.641	1.00
28_L	68_K	0.640	1.00
187_K	212_Q	0.639	1.00
237_A	241_A	0.638	1.00
263_Y	268_Q	0.637	1.00
135_T	187_K	0.635	1.00
256_A	261_S	0.633	1.00
36_A	340_A	0.632	1.00
149_E	152_H	0.631	1.00
160_L	163_P	0.631	1.00
84_S	140_L	0.628	1.00
238_W	304_V	0.625	1.00
258_A	262_R	0.623	1.00
74_V	101_L	0.622	1.00
136_V	140_L	0.622	1.00
261_S	266_S	0.620	1.00
262_R	268_Q	0.620	1.00
31_K	65_G	0.619	1.00
78_P	86_A	0.617	1.00
73_L	173_Y	0.617	1.00
90_T	141_L	0.615	1.00
260_L	264_D	0.614	1.00
29_Y	33_V	0.614	1.00
42_Y	344_F	0.612	1.00
132_E	148_Y	0.611	1.00
87_A	164_P	0.609	1.00
206_I	320_L	0.608	1.00
51_R	88_R	0.608	1.00
71_K	171_P	0.607	1.00
210_K	321_G	0.604	1.00
33_V	329_G	0.603	1.00
159_N	163_P	0.603	1.00
148_Y	153_I	0.601	1.00
262_R	267_G	0.600	1.00
311_A	347_L	0.598	1.00
174_F	189_T	0.596	0.99
27_H	31_K	0.596	0.99
222_F	322_I	0.594	0.99
43_T	69_D	0.593	0.99
57_W	90_T	0.592	0.99
210_K	213_A	0.590	0.99
179_Q	204_E	0.586	0.99
230_A	339_F	0.585	0.99
223_G	326_I	0.583	0.99
230_A	306_D	0.579	0.99
225_R	326_I	0.578	0.99
182_I	209_V	0.577	0.99
123_H	126_R	0.575	0.99
223_G	324_S	0.574	0.99
187_K	215_K	0.573	0.99
227_H	328_S	0.573	0.99
228_V	310_I	0.572	0.99
231_R	338_Y	0.572	0.99
38_D	70_L	0.570	0.99
44_G	326_I	0.570	0.99
81_M	86_A	0.562	0.99
255_K	265_S	0.562	0.99
67_T	70_L	0.562	0.99
40_L	333_L	0.561	0.99
237_A	306_D	0.561	0.99
61_S	97_S	0.561	0.99
62_A	97_S	0.560	0.99
107_A	130_T	0.558	0.99
245_I	248_L	0.557	0.99
94_D	97_S	0.557	0.99
43_T	71_K	0.556	0.99
165_Q	168_P	0.553	0.99
45_V	63_L	0.552	0.99
256_A	259_A	0.552	0.99
210_K	222_F	0.551	0.99
59_T	92_T	0.551	0.99
250_D	253_I	0.550	0.99
55_D	92_T	0.548	0.99
91_S	95_R	0.548	0.99
292_I	296_R	0.547	0.99
307_P	341_E	0.547	0.99
258_A	266_S	0.546	0.99
49_T	81_M	0.544	0.99
307_P	342_L	0.540	0.99
21_D	25_A	0.539	0.99
186_A	213_A	0.539	0.99
191_V	221_R	0.536	0.99
30_F	33_V	0.534	0.99
67_T	100_R	0.533	0.99
209_V	222_F	0.532	0.99
103_I	172_I	0.531	0.99
258_A	264_D	0.529	0.99
61_S	93_L	0.528	0.99
293_G	297_G	0.528	0.99
171_P	221_R	0.527	0.99
58_L	92_T	0.526	0.99
105_V	137_W	0.526	0.99
141_L	172_I	0.520	0.99
25_A	28_L	0.519	0.99
233_T	306_D	0.519	0.99
202_V	205_K	0.518	0.99
58_L	62_A	0.518	0.99
303_L	317_Y	0.517	0.99
114_L	119_L	0.517	0.99
109_G	112_Y	0.516	0.99
286_P	289_W	0.516	0.99
224_I	317_Y	0.514	0.99
173_Y	324_S	0.514	0.99
322_I	325_F	0.513	0.98
297_G	300_G	0.513	0.98
104_N	175_G	0.512	0.98
257_Q	265_S	0.512	0.98
142_Q	168_P	0.510	0.98
91_S	163_P	0.508	0.98
177_S	205_K	0.508	0.98
28_L	65_G	0.508	0.98
329_G	335_E	0.507	0.98
60_A	97_S	0.506	0.98
332_H	335_E	0.506	0.98
197_E	201_Q	0.506	0.98
231_R	234_E	0.505	0.98
132_E	135_T	0.505	0.98
292_I	295_V	0.503	0.98
257_Q	261_S	0.502	0.98
285_S	290_A	0.502	0.98
255_K	258_A	0.502	0.98
240_A	334_E	0.502	0.98
199_P	320_L	0.500	0.98
115_A	118_G	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
3sdoA	2	0.9867	100	0.219	Contact Map
1tvlA	2	0.9176	100	0.221	Contact Map
3b9oA	2	0.9707	100	0.233	Contact Map
1nqkA	4	0.9122	100	0.235	Contact Map
3raoA	2	0.8803	100	0.267	Contact Map
2wgkA	2	0.8803	100	0.28	Contact Map
1ezwA	3	0.8617	100	0.281	Contact Map
2i7gA	2	0.8617	100	0.282	Contact Map
1lucA	1	0.8218	100	0.285	Contact Map
1z69A	4	0.8484	100	0.296	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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