Q9HSW9 - HALSA - GREMLIN Contacts

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Q9HSW9 - Neutral proteinase

UniProt:	Q9HSW9	Sequences: MAKQVVTRTYTASIRNQQQVSDDLDSLGFAASKLWNVGRWVCDRVWSEIGHIPSHTELTSYLKSHERYDDLHSQSSQRVLQELAEAFNGWYGKRRNGDTRANPPKYRKHGDDHPRSTVTFKQKGFKLDTQYNRVRLSKGSNLKEYWSDFVLCEYQIRPDVDLSTVENVQQVRSVWTGDEWELHFVCKVEVEVSESPGEKTVGVDLGINNFAALAYEDGHSELYPLNCLKQDDYYFSKRLAQCDDSDSEQATRLNEKKSARRTHYFHTLSKHIVQRCVDEGVGTIAVGDLSGVREDEENGESKNWGKHGNLDLHSWAFDRFTDLLEYKAEMEGISVEEVSERDTSKSCSCCGRTRDANRVERGLYVCDSCDTVANADVNGAENIRQNVSPSPVTDGGDRSNGWLAQPSTFLFDNETGAFAPQEQATS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	426 (348)
Sequences:	4495 (2889)
Seq/√Len:	154.9

ECOLI - INSQ
HALSA - Q9HSW9 Q9HHJ9 Q9HM87 Q9HSW7 Q9HHG8 Q9HSZ6 Q9HSD4 Q9HHU6 Q9HSY4 Q9HHX8
SULSO - Q97Y67 Q97YI2 Q97V47 Q97XQ8 Q97WZ3 Q97V25 Q97XP1 Q97Y44 Q97Z61 Q97YU1 Q97YW4 Q97YI5 Q97X39 Q97XQ0 Q7LXD9 Q97WY6 Q97U51 Q97U68 Q97UQ8 Q97Y48 Q97XB6 Q97YW9 Q7LXH2 Q97V53 Q97XA4 Q7LXH6 Y2105 Q97YF7 Q97U09 Q7LX59 Q7LXH9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
263_H	267_T	5.212	1.00
290_S	294_E	4.177	1.00
348_S	378_N	4.108	1.00
328_A	335_V	3.482	1.00
285_A	387_V	2.958	1.00
286_V	324_L	2.932	1.00
210_F	320_F	2.932	1.00
321_T	337_E	2.910	1.00
8_R	330_M	2.781	1.00
270_K	274_Q	2.770	1.00
319_R	323_L	2.694	1.00
342_D	345_K	2.427	1.00
171_V	182_L	2.355	1.00
346_S	353_T	2.329	1.00
325_E	337_E	2.327	1.00
320_F	324_L	2.306	1.00
273_V	328_A	2.291	1.00
319_R	322_D	2.235	1.00
386_N	389_P	2.193	1.00
338_V	383_I	2.136	1.00
358_R	361_R	2.122	1.00
296_E	313_H	2.104	1.00
284_I	328_A	2.089	1.00
343_T	383_I	2.043	1.00
169_Q	187_K	2.029	1.00
365_V	372_V	2.018	1.00
40_W	44_R	2.016	1.00
43_D	103_P	2.005	1.00
286_V	335_V	1.993	1.00
266_H	323_L	1.976	1.00
231_D	246_D	1.965	1.00
234_Y	238_R	1.965	1.00
17_Q	20_V	1.961	1.00
266_H	326_Y	1.960	1.00
246_D	250_A	1.948	1.00
350_C	369_C	1.887	1.00
345_K	357_N	1.880	1.00
347_C	350_C	1.868	1.00
25_D	175_W	1.867	1.00
262_T	319_R	1.866	1.00
55_H	59_T	1.856	1.00
269_S	323_L	1.850	1.00
306_K	309_N	1.830	1.00
282_G	333_I	1.814	1.00
25_D	180_W	1.813	1.00
38_G	80_L	1.807	1.00
56_T	59_T	1.799	1.00
350_C	366_C	1.787	1.00
39_R	83_L	1.771	1.00
13_S	179_E	1.739	1.00
210_F	264_Y	1.729	1.00
349_C	371_T	1.725	1.00
325_E	329_E	1.724	1.00
265_F	323_L	1.722	1.00
26_S	70_D	1.706	1.00
305_G	309_N	1.702	1.00
134_V	182_L	1.678	1.00
366_C	369_C	1.674	1.00
232_D	236_S	1.672	1.00
286_V	337_E	1.639	1.00
266_H	327_K	1.637	1.00
362_G	375_A	1.633	1.00
266_H	269_S	1.626	1.00
347_C	369_C	1.611	1.00
347_C	366_C	1.586	1.00
364_Y	373_A	1.557	1.00
239_L	242_C	1.556	1.00
265_F	319_R	1.554	1.00
129_T	132_N	1.538	1.00
200_T	384_R	1.535	1.00
212_A	377_V	1.534	1.00
22_D	26_S	1.523	1.00
82_E	119_T	1.523	1.00
24_L	180_W	1.508	1.00
288_D	337_E	1.507	1.00
203_V	211_A	1.502	1.00
33_K	67_R	1.498	1.00
354_R	357_N	1.482	1.00
55_H	81_Q	1.458	1.00
9_T	183_H	1.456	1.00
286_V	321_T	1.455	1.00
89_G	101_A	1.437	1.00
363_L	372_V	1.423	1.00
213_L	217_D	1.422	1.00
358_R	375_A	1.415	1.00
21_S	25_D	1.404	1.00
56_T	60_S	1.398	1.00
364_Y	371_T	1.395	1.00
84_A	88_N	1.370	1.00
209_N	212_A	1.351	1.00
276_C	282_G	1.347	1.00
354_R	364_Y	1.344	1.00
235_F	247_S	1.343	1.00
179_E	255_E	1.339	1.00
74_Q	121_K	1.338	1.00
269_S	326_Y	1.331	1.00
201_V	213_L	1.327	1.00
255_E	259_A	1.311	1.00
93_K	101_A	1.310	1.00
38_G	83_L	1.307	1.00
381_E	385_Q	1.303	1.00
176_T	255_E	1.297	1.00
240_A	244_D	1.290	1.00
287_G	340_E	1.281	1.00
357_N	361_R	1.274	1.00
41_V	61_Y	1.272	1.00
92_G	100_R	1.258	1.00
126_K	135_R	1.252	1.00
325_E	335_V	1.251	1.00
352_R	367_D	1.250	1.00
28_G	180_W	1.239	1.00
345_K	355_D	1.237	1.00
269_S	320_F	1.236	1.00
304_W	307_H	1.224	1.00
58_L	62_L	1.222	1.00
269_S	327_K	1.203	1.00
241_Q	244_D	1.202	1.00
74_Q	122_Q	1.196	1.00
85_E	89_G	1.194	1.00
136_L	173_S	1.191	1.00
43_D	47_S	1.185	1.00
231_D	253_L	1.185	1.00
312_L	317_F	1.184	1.00
229_K	232_D	1.182	1.00
377_V	381_E	1.182	1.00
31_A	79_V	1.175	1.00
201_V	276_C	1.174	1.00
177_G	255_E	1.174	1.00
200_T	283_T	1.171	1.00
238_R	246_D	1.168	1.00
87_F	103_P	1.167	1.00
88_N	92_G	1.163	1.00
59_T	81_Q	1.163	1.00
44_R	48_E	1.160	1.00
55_H	80_L	1.158	1.00
238_R	241_Q	1.156	1.00
55_H	58_L	1.138	1.00
359_V	362_G	1.132	1.00
18_Q	21_S	1.130	1.00
270_K	331_E	1.129	1.00
348_S	381_E	1.125	1.00
271_H	275_R	1.123	1.00
45_V	49_I	1.122	1.00
205_L	317_F	1.121	1.00
273_V	331_E	1.119	1.00
354_R	367_D	1.115	1.00
348_S	373_A	1.113	1.00
54_S	57_E	1.108	0.99
265_F	320_F	1.108	0.99
228_L	232_D	1.106	0.99
203_V	213_L	1.102	0.99
354_R	358_R	1.097	0.99
228_L	236_S	1.086	0.99
72_H	75_S	1.082	0.99
197_G	282_G	1.079	0.99
238_R	242_C	1.078	0.99
16_N	24_L	1.072	0.99
290_S	340_E	1.070	0.99
262_T	323_L	1.068	0.99
232_D	242_C	1.065	0.99
227_C	231_D	1.058	0.99
89_G	100_R	1.055	0.99
62_L	80_L	1.052	0.99
174_V	183_H	1.052	0.99
16_N	20_V	1.051	0.99
240_A	243_D	1.049	0.99
373_A	381_E	1.046	0.99
323_L	326_Y	1.045	0.99
214_A	380_A	1.044	0.99
207_I	315_W	1.042	0.99
78_R	81_Q	1.035	0.99
338_V	386_N	1.033	0.99
90_W	103_P	1.031	0.99
59_T	80_L	1.031	0.99
258_S	262_T	1.025	0.99
59_T	62_L	1.025	0.99
35_W	79_V	1.024	0.99
345_K	353_T	1.023	0.99
78_R	121_K	1.020	0.99
235_F	246_D	1.014	0.99
202_G	384_R	1.009	0.99
273_V	284_I	1.005	0.99
265_F	269_S	1.005	0.99
327_K	330_M	1.002	0.99
120_F	136_L	0.996	0.99
119_T	172_R	0.989	0.99
346_S	386_N	0.984	0.99
235_F	238_R	0.983	0.99
239_L	244_D	0.981	0.99
274_Q	331_E	0.980	0.99
89_G	93_K	0.976	0.99
239_L	243_D	0.969	0.99
231_D	234_Y	0.968	0.99
176_T	179_E	0.966	0.99
273_V	333_I	0.964	0.99
343_T	386_N	0.963	0.99
205_L	321_T	0.961	0.99
288_D	340_E	0.960	0.99
373_A	377_V	0.960	0.99
269_S	324_L	0.955	0.98
200_T	388_S	0.950	0.98
124_G	137_S	0.948	0.98
205_L	211_A	0.947	0.98
39_R	87_F	0.946	0.98
128_D	135_R	0.946	0.98
236_S	240_A	0.944	0.98
218_G	374_N	0.936	0.98
285_A	383_I	0.936	0.98
10_Y	186_C	0.933	0.98
296_E	305_G	0.926	0.98
338_V	387_V	0.920	0.98
212_A	218_G	0.918	0.98
322_D	325_E	0.914	0.98
33_K	37_V	0.912	0.98
93_K	100_R	0.911	0.98
253_L	257_K	0.909	0.98
62_L	77_Q	0.903	0.98
11_T	176_T	0.903	0.98
256_K	260_R	0.902	0.98
68_Y	76_S	0.895	0.98
265_F	316_A	0.894	0.98
12_A	182_L	0.894	0.98
249_Q	252_R	0.891	0.98
43_D	87_F	0.891	0.98
93_K	102_N	0.888	0.98
35_W	83_L	0.885	0.98
348_S	371_T	0.884	0.97
29_F	32_S	0.883	0.97
283_T	334_S	0.883	0.97
389_P	392_V	0.883	0.97
235_F	243_D	0.877	0.97
77_Q	81_Q	0.873	0.97
221_E	224_P	0.872	0.97
200_T	285_A	0.871	0.97
211_A	268_L	0.870	0.97
82_E	172_R	0.868	0.97
235_F	250_A	0.868	0.97
234_Y	237_K	0.862	0.97
328_A	333_I	0.861	0.97
352_R	368_S	0.860	0.97
362_G	374_N	0.859	0.97
377_V	380_A	0.859	0.97
156_I	159_D	0.856	0.97
35_W	86_A	0.851	0.97
207_I	311_D	0.851	0.97
7_T	185_V	0.851	0.97
231_D	250_A	0.845	0.97
238_R	244_D	0.843	0.97
217_D	271_H	0.842	0.97
363_L	373_A	0.841	0.97
231_D	235_F	0.840	0.97
361_R	364_Y	0.839	0.97
74_Q	78_R	0.836	0.96
345_K	356_A	0.835	0.96
201_V	214_A	0.832	0.96
236_S	239_L	0.831	0.96
233_Y	236_S	0.826	0.96
57_E	60_S	0.824	0.96
292_V	318_D	0.823	0.96
30_A	68_Y	0.820	0.96
209_N	220_S	0.819	0.96
379_G	382_N	0.817	0.96
224_P	260_R	0.815	0.96
349_C	381_E	0.814	0.96
283_T	336_E	0.812	0.96
89_G	92_G	0.812	0.96
30_A	67_R	0.810	0.96
361_R	375_A	0.810	0.96
42_C	58_L	0.810	0.96
126_K	129_T	0.808	0.96
120_F	123_K	0.808	0.96
209_N	218_G	0.806	0.96
37_V	41_V	0.801	0.96
80_L	84_A	0.800	0.95
74_Q	123_K	0.799	0.95
340_E	343_T	0.798	0.95
21_S	180_W	0.797	0.95
45_V	53_P	0.796	0.95
232_D	235_F	0.795	0.95
353_T	357_N	0.793	0.95
207_I	296_E	0.791	0.95
14_I	182_L	0.790	0.95
40_W	106_Y	0.784	0.95
218_G	377_V	0.783	0.95
229_K	236_S	0.781	0.95
41_V	45_V	0.778	0.95
34_L	79_V	0.777	0.95
231_D	236_S	0.777	0.95
173_S	182_L	0.777	0.95
348_S	385_Q	0.775	0.95
232_D	240_A	0.774	0.95
78_R	119_T	0.774	0.95
357_N	375_A	0.773	0.95
71_L	74_Q	0.773	0.95
42_C	87_F	0.772	0.95
318_D	322_D	0.771	0.94
46_W	87_F	0.771	0.94
119_T	170_Q	0.771	0.94
378_N	382_N	0.766	0.94
13_S	181_E	0.766	0.94
172_R	183_H	0.766	0.94
381_E	384_R	0.763	0.94
238_R	249_Q	0.762	0.94
272_I	284_I	0.762	0.94
342_D	386_N	0.761	0.94
348_S	379_G	0.760	0.94
215_Y	276_C	0.759	0.94
296_E	309_N	0.754	0.94
336_E	387_V	0.754	0.94
358_R	362_G	0.753	0.94
222_L	225_L	0.751	0.94
387_V	391_P	0.750	0.94
170_Q	185_V	0.748	0.94
264_Y	268_L	0.748	0.94
7_T	187_K	0.745	0.93
74_Q	124_G	0.745	0.93
270_K	327_K	0.744	0.93
199_K	282_G	0.743	0.93
15_R	155_Q	0.733	0.93
231_D	238_R	0.732	0.93
81_Q	121_K	0.730	0.93
204_D	376_D	0.726	0.93
78_R	82_E	0.726	0.93
214_A	377_V	0.725	0.92
306_K	313_H	0.725	0.92
90_W	104_P	0.724	0.92
42_C	84_A	0.721	0.92
386_N	390_S	0.716	0.92
208_N	212_A	0.716	0.92
134_V	171_V	0.714	0.92
74_Q	77_Q	0.714	0.92
198_E	282_G	0.713	0.92
232_D	241_Q	0.713	0.92
30_A	71_L	0.711	0.92
247_S	251_T	0.711	0.92
18_Q	22_D	0.700	0.91
276_C	284_I	0.699	0.91
125_F	137_S	0.698	0.91
201_V	284_I	0.693	0.91
257_K	314_S	0.692	0.91
292_V	317_F	0.689	0.90
254_N	261_R	0.688	0.90
346_S	382_N	0.687	0.90
23_D	27_L	0.686	0.90
124_G	127_L	0.686	0.90
53_P	62_L	0.685	0.90
38_G	62_L	0.685	0.90
29_F	33_K	0.684	0.90
364_Y	375_A	0.680	0.90
236_S	250_A	0.679	0.90
166_E	186_C	0.678	0.90
308_G	312_L	0.676	0.90
210_F	315_W	0.675	0.90
27_L	31_A	0.674	0.90
261_R	314_S	0.673	0.89
167_N	187_K	0.672	0.89
136_L	139_G	0.671	0.89
24_L	118_V	0.670	0.89
274_Q	283_T	0.670	0.89
175_W	180_W	0.670	0.89
214_A	218_G	0.669	0.89
304_W	313_H	0.667	0.89
73_S	122_Q	0.665	0.89
12_A	158_P	0.664	0.89
26_S	30_A	0.663	0.89
156_I	160_V	0.663	0.89
83_L	87_F	0.663	0.89
344_S	357_N	0.661	0.89
190_V	329_E	0.660	0.89
285_A	336_E	0.659	0.88
262_T	266_H	0.658	0.88
268_L	271_H	0.657	0.88
11_T	174_V	0.657	0.88
284_I	324_L	0.657	0.88
328_A	331_E	0.656	0.88
228_L	235_F	0.655	0.88
342_D	353_T	0.652	0.88
305_G	308_G	0.649	0.88
229_K	233_Y	0.649	0.88
289_L	340_E	0.649	0.88
30_A	33_K	0.649	0.88
342_D	346_S	0.645	0.87
46_W	50_G	0.644	0.87
388_S	392_V	0.644	0.87
9_T	185_V	0.640	0.87
58_L	61_Y	0.640	0.87
346_S	355_D	0.639	0.87
359_V	375_A	0.639	0.87
38_G	58_L	0.629	0.86
356_A	361_R	0.628	0.86
87_F	91_Y	0.628	0.86
285_A	384_R	0.627	0.86
115_R	174_V	0.626	0.86
324_L	335_V	0.626	0.86
24_L	28_G	0.625	0.86
288_D	321_T	0.625	0.86
228_L	242_C	0.624	0.86
358_R	364_Y	0.623	0.86
27_L	71_L	0.622	0.85
66_E	69_D	0.621	0.85
235_F	239_L	0.620	0.85
211_A	320_F	0.619	0.85
41_V	44_R	0.617	0.85
228_L	250_A	0.616	0.85
285_A	386_N	0.614	0.85
326_Y	330_M	0.612	0.84
135_R	141_N	0.612	0.84
232_D	250_A	0.611	0.84
272_I	276_C	0.611	0.84
37_V	67_R	0.609	0.84
304_W	308_G	0.606	0.84
118_V	121_K	0.605	0.84
208_N	362_G	0.605	0.84
345_K	354_R	0.604	0.84
57_E	61_Y	0.604	0.84
294_E	340_E	0.603	0.84
230_Q	234_Y	0.602	0.84
55_H	60_S	0.599	0.83
19_Q	22_D	0.598	0.83
232_D	254_N	0.597	0.83
47_S	50_G	0.596	0.83
212_A	222_L	0.596	0.83
11_T	183_H	0.595	0.83
236_S	242_C	0.595	0.83
361_R	367_D	0.594	0.83
10_Y	158_P	0.591	0.82
388_S	391_P	0.591	0.82
128_D	133_R	0.591	0.82
27_L	72_H	0.591	0.82
275_R	282_G	0.590	0.82
46_W	91_Y	0.589	0.82
86_A	104_P	0.588	0.82
234_Y	246_D	0.587	0.82
34_L	76_S	0.585	0.82
359_V	374_N	0.585	0.82
90_W	93_K	0.584	0.82
41_V	58_L	0.583	0.82
309_N	313_H	0.582	0.81
28_G	118_V	0.582	0.81
154_Y	157_R	0.581	0.81
210_F	269_S	0.581	0.81
219_H	268_L	0.579	0.81
110_G	116_S	0.579	0.81
27_L	118_V	0.577	0.81
23_D	26_S	0.577	0.81
16_N	21_S	0.577	0.81
116_S	175_W	0.576	0.81
196_P	199_K	0.569	0.80
268_L	320_F	0.567	0.80
228_L	244_D	0.566	0.80
354_R	361_R	0.566	0.80
53_P	58_L	0.564	0.79
323_L	327_K	0.563	0.79
71_L	76_S	0.561	0.79
349_C	373_A	0.561	0.79
356_A	364_Y	0.557	0.79
215_Y	218_G	0.553	0.78
125_F	129_T	0.553	0.78
305_G	313_H	0.553	0.78
79_V	83_L	0.552	0.78
40_W	43_D	0.551	0.78
254_N	258_S	0.551	0.78
365_V	371_T	0.551	0.78
92_G	101_A	0.550	0.78
235_F	242_C	0.549	0.78
87_F	90_W	0.549	0.78
11_T	262_T	0.549	0.78
229_K	239_L	0.549	0.78
210_F	265_F	0.547	0.77
229_K	235_F	0.545	0.77
229_K	240_A	0.545	0.77
54_S	62_L	0.545	0.77
204_D	344_S	0.545	0.77
321_T	325_E	0.545	0.77
295_D	312_L	0.544	0.77
46_W	49_I	0.542	0.77
229_K	234_Y	0.541	0.77
179_E	259_A	0.541	0.77
80_L	83_L	0.540	0.76
339_S	342_D	0.540	0.76
221_E	315_W	0.538	0.76
110_G	114_P	0.537	0.76
285_A	388_S	0.536	0.76
355_D	364_Y	0.536	0.76
259_A	263_H	0.534	0.76
117_T	121_K	0.533	0.75
11_T	181_E	0.532	0.75
45_V	51_H	0.531	0.75
26_S	29_F	0.529	0.75
226_N	231_D	0.528	0.75
213_L	218_G	0.527	0.75
228_L	239_L	0.527	0.75
152_C	155_Q	0.527	0.75
206_G	212_A	0.526	0.75
267_T	270_K	0.526	0.75
293_R	318_D	0.526	0.75
259_A	262_T	0.525	0.74
202_G	214_A	0.525	0.74
292_V	312_L	0.524	0.74
385_Q	388_S	0.524	0.74
32_S	110_G	0.524	0.74
76_S	79_V	0.524	0.74
294_E	308_G	0.523	0.74
244_D	249_Q	0.523	0.74
14_I	154_Y	0.521	0.74
125_F	171_V	0.519	0.74
72_H	118_V	0.517	0.73
53_P	57_E	0.515	0.73
175_W	181_E	0.514	0.73
140_S	151_L	0.512	0.73
383_I	386_N	0.509	0.72
296_E	304_W	0.506	0.72
194_E	333_I	0.506	0.72
373_A	378_N	0.506	0.72
52_I	58_L	0.505	0.72
202_G	380_A	0.505	0.72
316_A	319_R	0.504	0.71
232_D	239_L	0.502	0.71
42_C	45_V	0.502	0.71
44_R	47_S	0.502	0.71
357_N	367_D	0.500	0.71
376_D	379_G	0.500	0.71

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
1nu0A	1	0.3052	96.2	0.926	Contact Map
1vhxA	2	0.3216	96.1	0.927	Contact Map
1iv0A	1	0.2277	94.9	0.932	Contact Map
4aybP	1	0.1009	88.4	0.944	Contact Map
1qypA	1	0.108	83.2	0.948	Contact Map
1vd4A	1	0.1315	83.2	0.948	Contact Map
1ffkW	1	0.169	82.3	0.949	Contact Map
1vq8Z	1	0.1714	81.2	0.949	Contact Map
3j20Y	1	0.1174	79.4	0.95	Contact Map
2k4xA	1	0.1244	74.8	0.952	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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