APRX - BACSU - GREMLIN Contacts

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APRX - Serine protease AprX

UniProt:	O31788	Sequences: MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGIYPHPDLEGRIIGFADMVNQKTEPYDDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPDSQTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	442 (356)
Sequences:	7435 (5520)
Seq/√Len:	292.6

BACSU - APRX SUBE SUBV SUBF WPRA SUBT 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
314_G	348_L	4.107	1.00
221_L	227_G	3.784	1.00
393_I	435_A	3.647	1.00
118_N	230_A	3.545	1.00
151_V	195_V	3.410	1.00
315_A	330_A	3.386	1.00
358_R	378_F	3.196	1.00
145_T	212_E	3.112	1.00
393_I	433_V	3.087	1.00
418_D	434_N	2.831	1.00
332_F	352_V	2.787	1.00
315_A	332_F	2.745	1.00
190_H	385_M	2.737	1.00
290_A	387_T	2.679	1.00
147_K	212_E	2.666	1.00
358_R	380_M	2.654	1.00
255_S	387_T	2.598	1.00
286_V	311_I	2.543	1.00
305_G	312_T	2.509	1.00
183_D	186_G	2.459	1.00
330_A	352_V	2.454	1.00
218_V	235_G	2.380	1.00
405_T	408_E	2.352	1.00
193_G	356_S	2.335	1.00
154_V	220_V	2.228	1.00
286_V	394_A	2.200	1.00
191_C	255_S	2.108	1.00
152_A	251_I	2.097	1.00
174_M	238_W	2.071	1.00
194_D	389_I	2.069	1.00
54_S	118_N	2.059	1.00
153_V	195_V	2.024	1.00
193_G	357_L	2.003	1.00
416_G	438_S	1.976	1.00
124_L	290_A	1.966	1.00
347_I	433_V	1.936	1.00
121_V	229_L	1.925	1.00
387_T	391_A	1.913	1.00
190_H	356_S	1.912	1.00
133_H	434_N	1.908	1.00
315_A	352_V	1.906	1.00
278_E	309_K	1.903	1.00
150_T	214_N	1.871	1.00
410_K	414_K	1.842	1.00
216_I	251_I	1.831	1.00
255_S	391_A	1.790	1.00
236_V	280_A	1.783	1.00
218_V	238_W	1.747	1.00
317_D	352_V	1.743	1.00
401_N	404_L	1.736	1.00
404_L	412_L	1.729	1.00
152_A	239_C	1.715	1.00
398_L	409_V	1.699	1.00
192_A	217_G	1.696	1.00
390_C	433_V	1.691	1.00
240_I	285_I	1.687	1.00
347_I	413_L	1.682	1.00
197_S	357_L	1.682	1.00
289_V	310_V	1.669	1.00
240_I	280_A	1.656	1.00
316_L	348_L	1.641	1.00
232_I	258_L	1.631	1.00
196_A	215_L	1.614	1.00
184_D	223_K	1.599	1.00
288_C	387_T	1.570	1.00
411_E	415_N	1.564	1.00
98_T	101_A	1.562	1.00
150_T	216_I	1.559	1.00
329_V	348_L	1.553	1.00
228_T	231_D	1.552	1.00
274_V	278_E	1.548	1.00
191_C	388_P	1.545	1.00
436_E	440_P	1.538	1.00
252_D	398_L	1.538	1.00
290_A	386_A	1.530	1.00
144_L	399_Q	1.529	1.00
278_E	308_E	1.518	1.00
194_D	385_M	1.516	1.00
278_E	282_S	1.505	1.00
85_S	234_E	1.505	1.00
397_I	438_S	1.493	1.00
173_D	178_K	1.491	1.00
394_A	409_V	1.481	1.00
58_E	113_R	1.479	1.00
220_V	258_L	1.476	1.00
158_I	215_L	1.471	1.00
128_A	389_I	1.456	1.00
196_A	213_A	1.453	1.00
315_A	351_G	1.451	1.00
151_V	395_A	1.446	1.00
149_V	398_L	1.427	1.00
158_I	217_G	1.389	1.00
288_C	390_C	1.385	1.00
153_V	191_C	1.384	1.00
127_T	131_A	1.373	1.00
60_E	113_R	1.368	1.00
190_H	194_D	1.363	1.00
380_M	385_M	1.353	1.00
288_C	394_A	1.349	1.00
434_N	437_N	1.345	1.00
401_N	412_L	1.343	1.00
58_E	114_K	1.341	1.00
316_L	432_A	1.331	1.00
209_P	392_G	1.320	1.00
271_D	275_R	1.318	1.00
279_E	282_S	1.316	1.00
350_P	354_I	1.315	1.00
190_H	380_M	1.313	1.00
154_V	235_G	1.307	1.00
145_T	399_Q	1.303	1.00
329_V	333_S	1.298	1.00
311_I	410_K	1.295	1.00
291_A	312_T	1.277	1.00
327_D	432_A	1.275	1.00
220_V	235_G	1.274	1.00
130_E	135_K	1.270	1.00
286_V	409_V	1.266	1.00
355_I	379_T	1.261	1.00
352_V	381_S	1.260	1.00
169_I	216_I	1.248	1.00
277_V	310_V	1.248	1.00
397_I	409_V	1.246	1.00
165_E	168_I	1.245	1.00
233_I	276_A	1.245	1.00
169_I	214_N	1.238	1.00
210_A	395_A	1.232	1.00
400_Q	439_V	1.228	1.00
236_V	254_M	1.222	1.00
237_E	241_Q	1.221	1.00
116_Y	272_P	1.202	1.00
151_V	213_A	1.195	1.00
313_V	347_I	1.190	1.00
286_V	406_P	1.187	1.00
393_I	413_L	1.184	1.00
233_I	272_P	1.173	1.00
76_Q	81_S	1.172	1.00
156_T	183_D	1.169	1.00
146_G	210_A	1.166	1.00
149_V	395_A	1.165	1.00
236_V	256_M	1.158	1.00
158_I	192_A	1.157	1.00
153_V	192_A	1.141	1.00
158_I	164_L	1.138	1.00
295_G	329_V	1.131	1.00
167_R	198_S	1.126	1.00
253_I	391_A	1.118	1.00
133_H	136_E	1.101	1.00
131_A	327_D	1.097	1.00
317_D	328_T	1.095	1.00
209_P	389_I	1.093	1.00
394_A	413_L	1.087	1.00
356_S	385_M	1.085	1.00
119_R	229_L	1.084	1.00
126_D	129_T	1.075	1.00
335_R	427_I	1.073	1.00
156_T	185_N	1.073	1.00
394_A	397_I	1.072	1.00
332_F	381_S	1.068	1.00
414_K	430_A	1.066	1.00
112_I	115_V	1.059	1.00
137_V	140_N	1.058	1.00
143_T	146_G	1.052	1.00
136_E	436_E	1.042	1.00
163_D	357_L	1.041	1.00
296_P	300_T	1.035	1.00
278_E	307_S	1.033	1.00
236_V	277_V	1.029	1.00
418_D	432_A	1.028	1.00
102_L	107_S	1.020	1.00
329_V	427_I	1.015	1.00
349_A	390_C	1.012	1.00
218_V	239_C	1.009	1.00
129_T	209_P	1.000	1.00
307_S	310_V	0.999	1.00
398_L	402_P	0.997	1.00
218_V	249_E	0.995	1.00
199_G	207_R	0.994	1.00
288_C	391_A	0.993	1.00
397_I	404_L	0.991	1.00
257_S	388_P	0.990	1.00
159_Y	374_G	0.989	1.00
133_H	436_E	0.976	1.00
275_R	279_E	0.975	1.00
232_I	256_M	0.969	1.00
137_V	439_V	0.967	1.00
294_S	334_S	0.966	1.00
227_G	231_D	0.964	1.00
329_V	335_R	0.961	1.00
164_L	357_L	0.958	1.00
104_S	108_E	0.957	1.00
417_T	431_G	0.957	1.00
237_E	279_E	0.955	1.00
168_I	217_G	0.953	1.00
192_A	215_L	0.953	1.00
132_S	389_I	0.952	1.00
281_W	410_K	0.945	1.00
254_M	280_A	0.944	1.00
425_P	428_Y	0.943	1.00
274_V	307_S	0.937	1.00
210_A	213_A	0.937	1.00
239_C	251_I	0.928	1.00
161_H	377_Y	0.923	1.00
171_F	174_M	0.921	1.00
280_A	287_V	0.921	1.00
177_Q	180_E	0.919	1.00
420_W	432_A	0.914	1.00
390_C	413_L	0.913	1.00
396_L	435_A	0.913	1.00
253_I	286_V	0.910	1.00
91_N	95_A	0.908	1.00
255_S	288_C	0.908	1.00
165_E	169_I	0.907	1.00
168_I	171_F	0.906	1.00
419_K	425_P	0.903	1.00
258_L	289_V	0.903	1.00
314_G	333_S	0.903	1.00
281_W	407_D	0.903	1.00
148_G	214_N	0.901	1.00
186_G	358_R	0.900	1.00
97_V	101_A	0.893	1.00
60_E	111_N	0.893	1.00
170_G	216_I	0.887	1.00
129_T	134_A	0.886	1.00
238_W	241_Q	0.885	1.00
162_P	375_S	0.885	1.00
53_M	117_L	0.884	1.00
239_C	254_M	0.884	1.00
425_P	430_A	0.884	1.00
140_N	436_E	0.876	1.00
385_M	388_P	0.876	1.00
65_E	69_Q	0.875	1.00
313_V	390_C	0.874	1.00
197_S	206_Y	0.872	1.00
160_P	182_Y	0.870	1.00
315_A	381_S	0.866	1.00
103_H	107_S	0.863	1.00
346_D	414_K	0.863	1.00
240_I	283_A	0.861	1.00
64_H	67_G	0.861	1.00
330_A	381_S	0.857	1.00
195_V	392_G	0.856	1.00
54_S	96_E	0.855	1.00
254_M	285_I	0.855	1.00
253_I	394_A	0.854	1.00
136_E	139_R	0.847	1.00
55_V	59_F	0.844	1.00
189_T	357_L	0.844	1.00
238_W	249_E	0.842	1.00
159_Y	359_S	0.841	1.00
360_P	376_Q	0.840	1.00
155_D	187_H	0.837	1.00
131_A	316_L	0.837	1.00
311_I	394_A	0.835	1.00
154_V	256_M	0.831	1.00
148_G	210_A	0.829	1.00
120_E	228_T	0.829	1.00
163_D	199_G	0.828	1.00
294_S	302_A	0.827	1.00
85_S	94_S	0.826	1.00
240_I	279_E	0.825	1.00
102_L	115_V	0.823	1.00
107_S	115_V	0.820	1.00
373_V	376_Q	0.819	1.00
59_F	93_C	0.817	1.00
132_S	209_P	0.815	1.00
286_V	398_L	0.812	1.00
424_D	430_A	0.810	1.00
64_H	68_F	0.808	1.00
165_E	171_F	0.808	1.00
154_V	218_V	0.807	1.00
121_V	232_I	0.805	1.00
173_D	219_K	0.804	1.00
256_M	287_V	0.803	1.00
159_Y	375_S	0.802	0.99
159_Y	182_Y	0.800	0.99
101_A	104_S	0.796	0.99
302_A	305_G	0.793	0.99
183_D	219_K	0.791	0.99
295_G	334_S	0.790	0.99
124_L	259_G	0.785	0.99
105_L	112_I	0.784	0.99
116_Y	270_E	0.782	0.99
134_A	138_V	0.782	0.99
347_I	390_C	0.782	0.99
184_D	219_K	0.779	0.99
144_L	400_Q	0.778	0.99
407_D	411_E	0.777	0.99
89_K	237_E	0.775	0.99
254_M	287_V	0.774	0.99
163_D	377_Y	0.771	0.99
281_W	286_V	0.769	0.99
353_N	381_S	0.767	0.99
123_A	221_L	0.767	0.99
398_L	404_L	0.765	0.99
296_P	335_R	0.764	0.99
156_T	186_G	0.763	0.99
404_L	408_E	0.762	0.99
221_L	258_L	0.756	0.99
397_I	439_V	0.754	0.99
256_M	289_V	0.754	0.99
186_G	380_M	0.752	0.99
75_L	78_E	0.751	0.99
152_A	216_I	0.746	0.99
173_D	181_P	0.744	0.99
152_A	218_V	0.741	0.99
418_D	437_N	0.740	0.99
284_G	406_P	0.740	0.99
134_A	435_A	0.739	0.99
135_K	138_V	0.739	0.99
94_S	230_A	0.737	0.99
185_N	380_M	0.736	0.99
152_A	254_M	0.736	0.99
116_Y	271_D	0.736	0.99
150_T	251_I	0.730	0.99
175_V	178_K	0.730	0.99
118_N	121_V	0.729	0.99
220_V	232_I	0.729	0.99
76_Q	80_R	0.728	0.99
121_V	260_G	0.726	0.99
174_M	218_V	0.726	0.99
146_G	213_A	0.726	0.99
51_K	54_S	0.722	0.99
72_G	76_Q	0.719	0.99
281_W	406_P	0.717	0.99
162_P	376_Q	0.716	0.99
358_R	376_Q	0.715	0.99
412_L	416_G	0.707	0.99
158_I	168_I	0.706	0.99
347_I	414_K	0.703	0.99
221_L	231_D	0.702	0.99
234_E	237_E	0.701	0.99
338_T	342_K	0.701	0.99
279_E	283_A	0.701	0.99
128_A	131_A	0.701	0.99
436_E	439_V	0.697	0.99
70_M	74_V	0.695	0.99
309_K	407_D	0.695	0.99
91_N	94_S	0.693	0.99
125_L	128_A	0.693	0.99
347_I	417_T	0.693	0.99
204_G	377_Y	0.693	0.99
213_A	395_A	0.690	0.98
83_L	87_F	0.688	0.98
178_K	181_P	0.687	0.98
172_A	238_W	0.685	0.98
278_E	281_W	0.684	0.98
163_D	197_S	0.683	0.98
350_P	389_I	0.680	0.98
209_P	393_I	0.678	0.98
312_T	346_D	0.676	0.98
424_D	427_I	0.676	0.98
67_G	70_M	0.672	0.98
239_C	280_A	0.669	0.98
173_D	176_N	0.668	0.98
127_T	319_N	0.665	0.98
171_F	175_V	0.661	0.98
140_N	440_P	0.660	0.98
262_A	306_V	0.659	0.98
149_V	399_Q	0.659	0.98
291_A	314_G	0.657	0.98
229_L	260_G	0.656	0.98
58_E	61_E	0.655	0.98
276_A	280_A	0.654	0.98
118_N	228_T	0.652	0.98
316_L	327_D	0.652	0.98
127_T	130_E	0.649	0.98
55_V	115_V	0.648	0.98
281_W	309_K	0.648	0.98
354_I	389_I	0.647	0.98
271_D	274_V	0.646	0.98
235_G	239_C	0.644	0.98
167_R	171_F	0.641	0.98
419_K	423_E	0.641	0.98
219_K	222_N	0.639	0.98
311_I	347_I	0.638	0.97
169_I	172_A	0.638	0.97
398_L	401_N	0.638	0.97
385_M	389_I	0.636	0.97
102_L	105_L	0.633	0.97
168_I	173_D	0.633	0.97
222_N	225_G	0.633	0.97
138_V	396_L	0.632	0.97
353_N	379_T	0.629	0.97
236_V	273_L	0.629	0.97
126_D	131_A	0.624	0.97
402_P	405_T	0.621	0.97
79_K	82_K	0.618	0.97
89_K	241_Q	0.616	0.97
114_K	275_R	0.615	0.97
84_K	96_E	0.614	0.97
303_S	306_V	0.611	0.97
311_I	414_K	0.609	0.97
388_P	391_A	0.608	0.97
253_I	409_V	0.606	0.97
274_V	306_V	0.606	0.97
229_L	273_L	0.605	0.97
339_V	345_P	0.604	0.97
397_I	412_L	0.603	0.96
251_I	285_I	0.603	0.96
398_L	406_P	0.602	0.96
126_D	206_Y	0.602	0.96
171_F	181_P	0.602	0.96
164_L	167_R	0.601	0.96
95_A	98_T	0.601	0.96
132_S	393_I	0.599	0.96
191_C	385_M	0.599	0.96
281_W	287_V	0.599	0.96
301_I	312_T	0.599	0.96
277_V	287_V	0.598	0.96
253_I	288_C	0.598	0.96
66_T	69_Q	0.598	0.96
97_V	105_L	0.597	0.96
233_I	273_L	0.596	0.96
314_G	339_V	0.596	0.96
65_E	68_F	0.596	0.96
87_F	237_E	0.595	0.96
72_G	75_L	0.595	0.96
406_P	410_K	0.595	0.96
272_P	275_R	0.594	0.96
174_M	235_G	0.594	0.96
63_C	67_G	0.594	0.96
194_D	356_S	0.593	0.96
329_V	428_Y	0.593	0.96
69_Q	72_G	0.587	0.96
229_L	232_I	0.586	0.96
249_E	252_D	0.585	0.96
150_T	249_E	0.585	0.96
159_Y	373_V	0.583	0.96
138_V	207_R	0.583	0.96
302_A	334_S	0.582	0.96
437_N	440_P	0.582	0.96
417_T	430_A	0.581	0.96
420_W	428_Y	0.581	0.96
386_A	389_I	0.579	0.96
220_V	256_M	0.579	0.96
81_S	95_A	0.578	0.96
423_E	428_Y	0.578	0.96
359_S	373_V	0.574	0.95
150_T	250_P	0.574	0.95
236_V	276_A	0.574	0.95
153_V	255_S	0.574	0.95
290_A	388_P	0.573	0.95
54_S	228_T	0.573	0.95
216_I	249_E	0.568	0.95
319_N	328_T	0.568	0.95
149_V	252_D	0.568	0.95
150_T	169_I	0.567	0.95
176_N	180_E	0.565	0.95
397_I	401_N	0.565	0.95
87_F	94_S	0.565	0.95
191_C	387_T	0.563	0.95
295_G	300_T	0.563	0.95
360_P	374_G	0.562	0.95
176_N	179_T	0.561	0.95
83_L	86_R	0.560	0.95
311_I	390_C	0.558	0.95
421_K	428_Y	0.558	0.95
349_A	433_V	0.558	0.95
289_V	303_S	0.558	0.95
290_A	302_A	0.557	0.95
149_V	253_I	0.557	0.95
132_S	350_P	0.556	0.95
177_Q	181_P	0.556	0.95
383_T	388_P	0.556	0.95
295_G	335_R	0.556	0.95
159_Y	360_P	0.555	0.94
153_V	217_G	0.552	0.94
275_R	278_E	0.552	0.94
99_P	103_H	0.552	0.94
222_N	231_D	0.549	0.94
119_R	270_E	0.545	0.94
167_R	174_M	0.545	0.94
164_L	193_G	0.545	0.94
161_H	357_L	0.545	0.94
57_I	61_E	0.544	0.94
284_G	398_L	0.544	0.94
282_S	309_K	0.544	0.94
74_V	78_E	0.543	0.94
166_G	198_S	0.543	0.94
261_D	294_S	0.543	0.94
170_G	217_G	0.543	0.94
123_A	156_T	0.542	0.94
68_F	72_G	0.539	0.94
148_G	213_A	0.538	0.94
129_T	132_S	0.537	0.93
84_K	88_N	0.537	0.93
154_V	236_V	0.537	0.93
131_A	432_A	0.537	0.93
208_G	392_G	0.537	0.93
346_D	410_K	0.535	0.93
113_R	117_L	0.534	0.93
74_V	77_K	0.532	0.93
231_D	234_E	0.532	0.93
116_Y	229_L	0.531	0.93
406_P	409_V	0.531	0.93
51_K	55_V	0.531	0.93
297_D	300_T	0.531	0.93
166_G	171_F	0.530	0.93
122_K	261_D	0.529	0.93
86_R	89_K	0.527	0.93
419_K	422_D	0.527	0.93
81_S	86_R	0.526	0.93
397_I	400_Q	0.526	0.93
289_V	312_T	0.525	0.93
419_K	428_Y	0.525	0.93
77_K	80_R	0.524	0.93
259_G	290_A	0.523	0.93
128_A	134_A	0.522	0.92
149_V	213_A	0.521	0.92
163_D	206_Y	0.521	0.92
227_G	232_I	0.520	0.92
331_S	381_S	0.519	0.92
237_E	240_I	0.517	0.92
256_M	277_V	0.516	0.92
401_N	405_T	0.516	0.92
146_G	399_Q	0.515	0.92
219_K	223_K	0.514	0.92
151_V	253_I	0.512	0.92
314_G	329_V	0.512	0.92
140_N	144_L	0.512	0.92
417_T	429_G	0.512	0.92
274_V	277_V	0.511	0.92
132_S	432_A	0.510	0.92
291_A	301_I	0.509	0.92
65_E	72_G	0.508	0.91
393_I	397_I	0.507	0.91
161_H	193_G	0.507	0.91
204_G	207_R	0.507	0.91
435_A	439_V	0.507	0.91
393_I	396_L	0.506	0.91
254_M	258_L	0.505	0.91
104_S	109_C	0.505	0.91
259_G	294_S	0.501	0.91
328_T	331_S	0.500	0.91

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
3afgA	1	0.8982	100	0.245	Contact Map
3whiA	2	0.7692	100	0.276	Contact Map
3wiuA	2	0.7783	100	0.306	Contact Map
4tr2A	2	0.7873	100	0.311	Contact Map
1r6vA	1	0.8665	100	0.311	Contact Map
3t41A	1	0.81	100	0.327	Contact Map
1xf1A	2	0.6516	100	0.329	Contact Map
3vtaA	1	0.6787	100	0.342	Contact Map
2p4eP	2	0.7964	100	0.344	Contact Map
4i0wB	1	0.6584	100	0.345	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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