SUBT - BACSU - GREMLIN Contacts

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SUBT - Subtilisin E

UniProt:	P04189	Sequences: MRSKKLWISLLFALTLIFTMAFSNMSAQAAGKSSTEKKYIVGFKQTMSAMSSAKKKDVISEKGGKVQKQFKYVNAAAATLDEKAVKELKKDPSVAYVEEDHIAHEYAQSVPYGISQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLNVRGGASFVPSETNPYQDGSSHGTHVAGTIAALNNSIGVLGVAPSASLYAVKVLDSTGSGQYSWIINGIEWAISNNMDVINMSLGGPTGSTALKTVVDKAVSSGIVVAAAAGNEGSSGSTSTVGYPAKYPSTIAVGAVNSSNQRASFSSAGSELDVMAPGVSIQSTLPGGTYGAYNGTSMATPHVAGAAALILSKHPTWTNAQVRDRLESTATYLGNSFYYGKGLINVQAAAQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	381 (326)
Sequences:	11464 (8646)
Seq/√Len:	478.8

BACSU - SUBT SUBE WPRA SUBF SUBV APRX ISP1
HALSA - Q9HMF2 Q9HNT7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
202_L	208_G	3.679	1.00
284_G	305_M	3.338	1.00
285_A	293_A	3.259	1.00
336_A	376_V	3.165	1.00
100_D	211_S	3.129	1.00
315_L	321_G	3.122	1.00
128_T	193_S	3.094	1.00
134_V	178_I	3.050	1.00
336_A	374_I	2.700	1.00
173_H	328_M	2.632	1.00
285_A	295_F	2.627	1.00
229_N	330_T	2.616	1.00
295_F	309_V	2.546	1.00
315_L	323_Y	2.536	1.00
293_A	309_V	2.535	1.00
130_S	193_S	2.526	1.00
361_T	375_N	2.523	1.00
176_G	313_S	2.458	1.00
246_D	279_S	2.316	1.00
254_V	281_I	2.315	1.00
174_V	229_N	2.294	1.00
199_V	216_G	2.262	1.00
348_T	351_Q	2.183	1.00
275_A	282_A	2.068	1.00
133_K	195_S	2.065	1.00
167_G	204_S	2.058	1.00
133_K	197_Y	2.042	1.00
177_T	332_H	2.038	1.00
254_V	337_A	2.038	1.00
136_V	178_I	2.035	1.00
173_H	313_S	1.980	1.00
258_A	330_T	1.949	1.00
239_T	243_T	1.949	1.00
176_G	314_T	1.935	1.00
359_T	379_A	1.877	1.00
353_R	357_E	1.865	1.00
330_T	334_A	1.854	1.00
166_D	169_S	1.849	1.00
199_V	219_W	1.834	1.00
180_A	314_T	1.808	1.00
179_A	196_L	1.800	1.00
81_D	84_A	1.794	1.00
137_I	201_V	1.776	1.00
287_N	309_V	1.766	1.00
221_I	248_A	1.743	1.00
284_G	302_L	1.741	1.00
217_I	248_A	1.740	1.00
292_R	305_M	1.687	1.00
135_A	225_M	1.677	1.00
285_A	308_G	1.676	1.00
134_V	338_A	1.648	1.00
256_A	330_T	1.648	1.00
135_A	220_A	1.647	1.00
344_H	347_W	1.636	1.00
197_Y	225_M	1.625	1.00
285_A	309_V	1.618	1.00
113_G	332_H	1.618	1.00
103_A	210_Y	1.615	1.00
286_V	305_M	1.614	1.00
354_D	358_S	1.592	1.00
337_A	352_V	1.584	1.00
226_D	341_L	1.573	1.00
177_T	328_M	1.572	1.00
263_G	292_R	1.571	1.00
219_W	223_N	1.558	1.00
257_A	280_T	1.557	1.00
323_Y	328_M	1.556	1.00
174_V	331_P	1.553	1.00
256_A	337_A	1.531	1.00
209_Q	212_W	1.516	1.00
304_V	374_I	1.512	1.00
229_N	334_A	1.511	1.00
142_D	316_P	1.508	1.00
246_D	250_S	1.506	1.00
98_E	238_S	1.505	1.00
136_V	174_V	1.497	1.00
142_D	317_G	1.497	1.00
344_H	355_R	1.493	1.00
242_K	246_D	1.493	1.00
290_N	373_L	1.491	1.00
128_T	342_S	1.490	1.00
248_A	255_V	1.489	1.00
132_V	341_L	1.473	1.00
218_E	222_S	1.463	1.00
333_V	374_I	1.462	1.00
118_K	375_N	1.461	1.00
341_L	352_V	1.460	1.00
179_A	194_A	1.458	1.00
116_Q	290_N	1.451	1.00
175_A	198_A	1.439	1.00
292_R	296_S	1.437	1.00
221_I	253_I	1.437	1.00
256_A	333_V	1.434	1.00
213_I	232_L	1.419	1.00
347_W	355_R	1.416	1.00
312_Q	322_A	1.412	1.00
134_V	194_A	1.406	1.00
340_I	379_A	1.404	1.00
98_E	240_A	1.402	1.00
173_H	323_Y	1.365	1.00
259_A	282_A	1.351	1.00
44_K	95_A	1.348	1.00
190_V	335_G	1.345	1.00
68_K	215_N	1.337	1.00
247_K	250_S	1.312	1.00
242_K	276_K	1.312	1.00
173_H	177_T	1.312	1.00
340_I	347_W	1.310	1.00
55_K	58_V	1.299	1.00
258_A	329_A	1.298	1.00
141_I	198_A	1.292	1.00
132_V	338_A	1.291	1.00
155_S	160_E	1.283	1.00
287_N	291_Q	1.268	1.00
284_G	296_S	1.266	1.00
227_V	334_A	1.252	1.00
375_N	378_A	1.251	1.00
304_V	356_L	1.248	1.00
214_I	240_A	1.237	1.00
309_V	324_N	1.233	1.00
141_I	196_L	1.229	1.00
139_S	168_S	1.228	1.00
107_A	110_V	1.208	1.00
201_V	232_L	1.194	1.00
286_V	373_L	1.192	1.00
217_I	230_M	1.191	1.00
281_I	353_R	1.183	1.00
246_D	278_P	1.167	1.00
347_W	351_Q	1.159	1.00
357_E	371_K	1.155	1.00
201_V	216_G	1.154	1.00
141_I	175_A	1.152	1.00
245_V	280_T	1.148	1.00
337_A	356_L	1.139	1.00
155_S	158_P	1.128	1.00
283_V	304_V	1.120	1.00
340_I	352_V	1.118	1.00
262_E	297_S	1.114	1.00
59_I	64_G	1.114	1.00
214_I	244_V	1.112	1.00
254_V	349_N	1.103	1.00
101_H	210_Y	1.102	1.00
254_V	352_V	1.100	1.00
218_E	247_K	1.092	1.00
228_I	253_I	1.090	1.00
125_Q	377_Q	1.088	1.00
355_R	359_T	1.087	1.00
191_A	338_A	1.081	1.00
208_G	212_W	1.068	1.00
58_V	62_K	1.063	1.00
121_A	124_S	1.053	1.00
118_K	377_Q	1.053	1.00
361_T	373_L	1.049	1.00
147_D	314_T	1.045	1.00
106_Y	258_A	1.043	1.00
307_P	311_I	1.042	1.00
149_N	181_L	1.041	1.00
292_R	368_Y	1.039	1.00
210_Y	241_L	1.039	1.00
85_V	89_K	1.032	1.00
256_A	334_A	1.029	1.00
151_R	181_L	1.026	1.00
190_V	332_H	1.023	1.00
139_S	166_D	1.018	1.00
86_K	89_K	1.017	1.00
228_I	248_A	1.015	1.00
306_A	333_V	1.014	1.00
145_H	320_Y	1.014	1.00
243_T	247_K	1.013	1.00
217_I	228_I	1.010	1.00
121_A	377_Q	1.005	1.00
117_I	190_V	1.003	1.00
262_E	272_G	1.001	1.00
141_I	148_L	1.000	1.00
264_S	272_G	0.998	1.00
180_A	187_V	0.996	1.00
313_S	328_M	0.993	1.00
105_E	108_Q	0.987	1.00
175_A	196_L	0.986	1.00
298_A	368_Y	0.973	1.00
259_A	302_L	0.971	1.00
137_I	216_G	0.969	1.00
242_K	277_Y	0.966	1.00
127_Y	342_S	0.965	1.00
246_D	277_Y	0.964	1.00
119_A	123_H	0.956	1.00
217_I	245_V	0.954	1.00
283_V	333_V	0.947	1.00
136_V	175_A	0.947	1.00
118_K	121_A	0.947	1.00
228_I	255_V	0.947	1.00
155_S	200_K	0.945	1.00
143_S	165_Q	0.943	1.00
341_L	345_P	0.938	1.00
221_I	251_S	0.937	1.00
363_L	373_L	0.929	1.00
286_V	290_N	0.926	1.00
191_A	194_A	0.922	1.00
336_A	356_L	0.917	1.00
273_Y	276_K	0.916	1.00
231_S	331_P	0.916	1.00
220_A	228_I	0.916	1.00
310_S	324_N	0.914	1.00
273_Y	277_Y	0.913	1.00
122_L	125_Q	0.910	1.00
129_G	191_A	0.903	1.00
44_K	93_S	0.899	1.00
142_D	318_G	0.899	1.00
328_M	331_P	0.899	1.00
55_K	59_I	0.898	1.00
107_A	111_P	0.892	1.00
199_V	220_A	0.888	1.00
337_A	340_I	0.886	1.00
249_V	353_R	0.883	1.00
230_M	257_A	0.879	1.00
74_N	78_A	0.876	1.00
303_D	357_E	0.865	1.00
66_V	70_F	0.861	1.00
230_M	255_V	0.860	1.00
172_T	314_T	0.857	1.00
264_S	298_A	0.856	1.00
292_R	298_A	0.855	1.00
220_A	248_A	0.852	1.00
54_K	58_V	0.851	1.00
154_A	157_V	0.849	1.00
84_A	87_E	0.848	1.00
152_G	197_Y	0.848	1.00
88_L	94_V	0.837	1.00
249_V	279_S	0.830	1.00
100_D	103_A	0.829	1.00
229_N	256_A	0.829	1.00
360_A	372_G	0.829	1.00
249_V	350_A	0.825	1.00
87_E	90_K	0.825	1.00
131_N	195_S	0.822	1.00
304_V	360_A	0.818	1.00
152_G	155_S	0.816	1.00
362_Y	366_S	0.815	1.00
350_A	354_D	0.812	1.00
72_Y	218_E	0.808	1.00
227_V	254_V	0.806	1.00
340_I	344_H	0.804	1.00
169_S	315_L	0.803	1.00
213_I	230_M	0.802	1.00
80_L	84_A	0.800	1.00
58_V	61_E	0.798	1.00
236_T	276_K	0.796	1.00
295_F	324_N	0.793	1.00
142_D	146_P	0.792	1.00
77_A	211_S	0.788	1.00
85_V	97_V	0.778	1.00
133_K	224_N	0.777	1.00
129_G	194_A	0.775	1.00
108_Q	111_P	0.774	1.00
170_H	327_S	0.771	1.00
219_W	222_S	0.768	1.00
137_I	230_M	0.763	1.00
199_V	223_N	0.762	1.00
147_D	320_Y	0.762	1.00
96_Y	243_T	0.760	1.00
150_V	181_L	0.760	1.00
201_V	213_I	0.757	1.00
166_D	200_K	0.756	1.00
120_P	123_H	0.754	1.00
333_V	356_L	0.753	1.00
304_V	357_E	0.751	1.00
138_D	170_H	0.750	1.00
336_A	339_L	0.748	1.00
153_G	156_F	0.748	1.00
261_N	331_P	0.748	1.00
142_D	315_L	0.747	1.00
215_N	218_E	0.744	1.00
210_Y	234_G	0.742	1.00
249_V	349_N	0.741	1.00
263_G	298_A	0.740	1.00
218_E	221_I	0.739	1.00
282_A	303_D	0.739	1.00
247_K	251_S	0.739	1.00
100_D	209_Q	0.738	1.00
293_A	324_N	0.737	1.00
117_I	123_H	0.736	1.00
239_T	242_K	0.735	1.00
285_A	324_N	0.732	1.00
169_S	323_Y	0.731	1.00
66_V	69_Q	0.731	1.00
341_L	349_N	0.731	1.00
232_L	257_A	0.730	1.00
135_A	197_Y	0.728	1.00
137_I	228_I	0.727	1.00
259_A	284_G	0.725	1.00
277_Y	280_T	0.723	1.00
361_T	378_A	0.719	1.00
145_H	176_G	0.714	1.00
178_I	335_G	0.713	1.00
272_G	275_A	0.710	1.00
133_K	226_D	0.710	1.00
147_D	183_N	0.710	1.00
339_L	376_V	0.709	1.00
70_F	77_A	0.708	1.00
307_P	332_H	0.703	1.00
155_S	164_Y	0.703	1.00
132_V	342_S	0.702	1.00
281_I	337_A	0.702	1.00
279_S	350_A	0.700	1.00
340_I	355_R	0.699	1.00
250_S	279_S	0.691	1.00
347_W	352_V	0.691	1.00
126_G	129_G	0.690	1.00
102_I	209_Q	0.688	1.00
144_S	165_Q	0.687	1.00
245_V	255_V	0.685	1.00
341_L	347_W	0.680	1.00
254_V	341_L	0.680	1.00
67_Q	79_T	0.679	1.00
132_V	194_A	0.679	1.00
281_I	357_E	0.675	1.00
284_G	292_R	0.675	1.00
135_A	228_I	0.675	1.00
222_S	247_K	0.671	1.00
82_E	86_K	0.670	1.00
103_A	213_I	0.665	1.00
56_K	60_S	0.661	1.00
70_F	218_E	0.660	1.00
354_D	357_E	0.659	1.00
120_P	124_S	0.658	1.00
116_Q	286_V	0.658	1.00
227_V	337_A	0.657	1.00
263_G	297_S	0.657	1.00
89_K	97_V	0.655	1.00
202_L	232_L	0.655	1.00
156_F	159_S	0.654	1.00
174_V	328_M	0.654	1.00
327_S	331_P	0.654	1.00
252_G	341_L	0.652	1.00
220_A	253_I	0.652	1.00
94_V	97_V	0.650	1.00
217_I	255_V	0.648	1.00
341_L	344_H	0.646	1.00
221_I	247_K	0.641	1.00
137_I	199_V	0.638	1.00
220_A	225_M	0.637	1.00
288_S	310_S	0.637	1.00
145_H	314_T	0.635	1.00
217_I	241_L	0.631	1.00
177_T	311_I	0.629	1.00
233_G	258_A	0.628	1.00
281_I	304_V	0.628	1.00
331_P	334_A	0.627	1.00
98_E	239_T	0.626	1.00
135_A	199_V	0.626	1.00
59_I	62_K	0.625	1.00
252_G	349_N	0.623	0.99
194_A	338_A	0.622	0.99
304_V	333_V	0.621	0.99
246_D	249_V	0.620	0.99
244_V	248_A	0.618	0.99
127_Y	343_K	0.617	0.99
257_A	275_A	0.617	0.99
80_L	88_L	0.616	0.99
145_H	148_L	0.616	0.99
227_V	256_A	0.615	0.99
132_V	227_V	0.615	0.99
134_V	227_V	0.614	0.99
46_T	49_A	0.614	0.99
362_Y	369_Y	0.613	0.99
103_A	234_G	0.613	0.99
302_L	305_M	0.610	0.99
156_F	219_W	0.610	0.99
133_K	225_M	0.607	0.99
315_L	319_T	0.607	0.99
258_A	272_G	0.605	0.99
363_L	369_Y	0.605	0.99
174_V	330_T	0.605	0.99
128_T	192_P	0.605	0.99
240_A	243_T	0.604	0.99
254_V	353_R	0.603	0.99
148_L	314_T	0.601	0.99
326_T	331_P	0.598	0.99
110_V	113_G	0.597	0.99
77_A	100_D	0.597	0.99
168_S	323_Y	0.596	0.99
249_V	255_V	0.594	0.99
155_S	159_S	0.590	0.99
249_V	254_V	0.589	0.99
249_V	277_Y	0.589	0.99
152_G	198_A	0.588	0.99
117_I	332_H	0.587	0.99
152_G	157_V	0.585	0.99
70_F	215_N	0.585	0.99
142_D	165_Q	0.584	0.99
167_G	200_K	0.584	0.99
70_F	73_V	0.582	0.99
292_R	369_Y	0.581	0.99
68_K	77_A	0.581	0.99
197_Y	223_N	0.578	0.99
156_F	199_V	0.578	0.99
174_V	231_S	0.578	0.99
56_K	61_E	0.578	0.99
146_P	318_G	0.578	0.99
258_A	331_P	0.576	0.99
312_Q	320_Y	0.574	0.99
95_A	99_E	0.573	0.99
86_K	90_K	0.572	0.99
349_N	353_R	0.572	0.99
54_K	57_D	0.571	0.99
56_K	59_I	0.570	0.99
112_Y	116_Q	0.570	0.99
183_N	186_G	0.568	0.99
244_V	247_K	0.568	0.99
114_I	119_A	0.568	0.99
80_L	85_V	0.568	0.99
106_Y	111_P	0.566	0.99
146_P	185_I	0.566	0.99
72_Y	222_S	0.565	0.99
230_M	245_V	0.565	0.99
115_S	120_P	0.565	0.99
113_G	177_T	0.563	0.99
208_G	213_I	0.562	0.99
216_G	220_A	0.561	0.99
136_V	229_N	0.560	0.99
170_H	261_N	0.558	0.99
210_Y	238_S	0.556	0.99
344_H	351_Q	0.556	0.99
310_S	322_A	0.556	0.99
355_R	358_S	0.555	0.99
68_K	72_Y	0.554	0.99
180_A	189_G	0.553	0.99
131_N	191_A	0.552	0.99
237_G	242_K	0.551	0.99
153_G	157_V	0.551	0.99
256_A	281_I	0.550	0.99
272_G	297_S	0.550	0.99
143_S	198_A	0.550	0.99
203_D	207_S	0.548	0.99
211_S	215_N	0.545	0.99
366_S	371_K	0.545	0.99
243_T	246_D	0.544	0.99
147_D	180_A	0.543	0.99
212_W	215_N	0.542	0.99
44_K	49_A	0.542	0.99
227_V	338_A	0.541	0.99
214_I	241_L	0.540	0.99
303_D	353_R	0.539	0.99
197_Y	219_W	0.539	0.99
311_I	332_H	0.539	0.99
103_A	241_L	0.537	0.98
231_S	258_A	0.537	0.98
294_S	324_N	0.535	0.98
340_I	359_T	0.534	0.98
190_V	336_A	0.534	0.98
225_M	253_I	0.534	0.98
233_G	262_E	0.534	0.98
113_G	116_Q	0.533	0.98
261_N	327_S	0.531	0.98
364_G	369_Y	0.531	0.98
360_A	371_K	0.530	0.98
110_V	312_Q	0.527	0.98
154_A	160_E	0.526	0.98
189_G	335_G	0.525	0.98
67_Q	77_A	0.524	0.98
54_K	59_I	0.522	0.98
55_K	62_K	0.521	0.98
138_D	171_G	0.520	0.98
129_G	342_S	0.520	0.98
45_Q	95_A	0.519	0.98
154_A	159_S	0.519	0.98
78_A	81_D	0.519	0.98
87_E	91_D	0.519	0.98
203_D	206_G	0.518	0.98
45_Q	48_S	0.517	0.98
281_I	356_L	0.516	0.98
111_P	312_Q	0.515	0.98
202_L	212_W	0.514	0.98
148_L	151_R	0.512	0.98
133_K	223_N	0.510	0.98
210_Y	214_I	0.510	0.98
65_K	79_T	0.507	0.98
201_V	230_M	0.507	0.98
257_A	282_A	0.506	0.98
59_I	63_G	0.506	0.98
339_L	342_S	0.502	0.98
104_H	207_S	0.502	0.98
132_V	226_D	0.502	0.98
177_T	313_S	0.502	0.98
200_K	203_D	0.501	0.98
366_S	369_Y	0.501	0.98
105_E	111_P	0.500	0.98
139_S	169_S	0.500	0.98
229_N	331_P	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
3whiA	2	0.9108	100	0.126	Contact Map
3afgA	1	0.9633	100	0.206	Contact Map
3wiuA	2	0.8793	100	0.208	Contact Map
1r6vA	1	0.9606	100	0.211	Contact Map
3t41A	1	0.8871	100	0.228	Contact Map
4tr2A	2	0.9134	100	0.229	Contact Map
2p4eP	2	0.8976	100	0.242	Contact Map
1to2E	1	0.7218	100	0.248	Contact Map
1r0rE	1	0.7192	100	0.252	Contact Map
1gciA	1	0.706	100	0.259	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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