ISCS - BACSU - GREMLIN Contacts

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ISCS - Putative cysteine desulfurase NifS

UniProt:	P38033	Sequences: MIYLDYAATTPICEEALTVYQKLSMDMYGNASSLHDAGGKAKHILEYCREKIANIIGGEASGIYFTSGGTESNFLAIQSLLNGLPKTKRHFITTAMEHQSIHNCAAFLEQQGYDVTVIEPNEYGLITEEILLTHIRPETGLVSIQHANSETGIIQPIQHLSSYLHNKGILLHCDAVQTFGKIPINTKNLGVDALSMSSHKIHGPKGVGAVYIRPDVPWKPVYPLTTHEYGFRAGTVNVPGIGAFTAAAELIVSEMEKQISRNEALRTYFLDQIRIRSLPVTLAADTSKAECLPHIIGCFFHSFEGQYVMLECNRSNICISTGSACSAGYHGPSETMKALRKTEQEALQFIRISFGRHTTAEQLEQLLHTFTVLWEQKKGEFDIDRRIKANGRQQA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	395 (335)
Sequences:	27180 (18606)
Seq/√Len:	1016.5

ECOLI - ISCS CSDA SUFS DCEA DCEB SERC
BACSU - ISCS ISCS2 ISCS1 SUFS YCBU PUCG SERC
HALSA - CSD Q9HR11 Q9HMR6 MFNA
SULSO - Q97WK1 Q97VM5 Q97ZK0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
268_Y	364_E	3.403	1.00
90_H	116_T	3.261	1.00
146_H	178_T	3.222	1.00
268_Y	360_A	3.218	1.00
272_Q	367_L	3.207	1.00
161_S	171_L	3.131	1.00
51_K	249_E	2.941	1.00
156_P	159_H	2.816	1.00
175_A	194_L	2.772	1.00
132_L	163_Y	2.759	1.00
95_A	119_E	2.623	1.00
246_A	249_E	2.436	1.00
196_M	209_A	2.413	1.00
185_N	188_N	2.397	1.00
237_N	240_G	2.365	1.00
90_H	136_R	2.312	1.00
315_S	372_V	2.269	1.00
90_H	114_D	2.239	1.00
132_L	166_N	2.214	1.00
164_L	169_I	2.203	1.00
21_Q	25_M	2.176	1.00
142_V	164_L	2.124	1.00
268_Y	272_Q	2.099	1.00
14_E	18_T	2.069	1.00
57_G	185_N	2.069	1.00
272_Q	364_E	2.058	1.00
352_I	366_L	2.028	1.00
130_I	133_T	1.986	1.00
147_A	292_L	1.982	1.00
264_A	360_A	1.962	1.00
272_Q	276_R	1.938	1.00
281_T	299_F	1.915	1.00
158_Q	188_N	1.912	1.00
315_S	369_T	1.900	1.00
90_H	139_T	1.887	1.00
116_T	134_H	1.876	1.00
17_L	21_Q	1.866	1.00
281_T	301_H	1.864	1.00
119_E	130_I	1.855	1.00
22_K	26_D	1.838	1.00
67_S	71_E	1.832	1.00
283_A	299_F	1.822	1.00
130_I	134_H	1.812	1.00
51_K	245_T	1.811	1.00
144_I	160_L	1.799	1.00
121_N	125_L	1.778	1.00
54_N	252_V	1.763	1.00
365_Q	369_T	1.758	1.00
14_E	25_M	1.753	1.00
89_R	138_E	1.735	1.00
173_C	191_V	1.723	1.00
162_S	166_N	1.708	1.00
73_N	100_S	1.707	1.00
158_Q	162_S	1.703	1.00
127_T	130_I	1.657	1.00
261_R	265_L	1.604	1.00
269_F	354_F	1.604	1.00
90_H	138_E	1.580	1.00
164_L	171_L	1.571	1.00
198_S	244_F	1.553	1.00
82_N	111_Q	1.543	1.00
66_T	72_S	1.521	1.00
128_E	163_Y	1.507	1.00
62_G	214_P	1.500	1.00
51_K	252_V	1.489	1.00
277_S	371_T	1.484	1.00
191_V	194_L	1.481	1.00
165_H	190_G	1.473	1.00
69_G	176_V	1.461	1.00
19_V	246_A	1.457	1.00
163_Y	167_K	1.454	1.00
297_G	349_F	1.453	1.00
135_I	163_Y	1.451	1.00
20_Y	243_A	1.448	1.00
259_I	263_E	1.447	1.00
73_N	172_H	1.439	1.00
18_T	22_K	1.434	1.00
95_A	117_V	1.429	1.00
162_S	190_G	1.422	1.00
76_A	193_A	1.418	1.00
47_Y	245_T	1.413	1.00
107_F	223_P	1.408	1.00
267_T	271_D	1.407	1.00
159_H	162_S	1.391	1.00
304_E	307_Y	1.390	1.00
272_Q	371_T	1.384	1.00
18_T	21_Q	1.383	1.00
78_Q	223_P	1.377	1.00
27_M	40_K	1.371	1.00
204_P	243_A	1.370	1.00
157_I	173_C	1.368	1.00
165_H	192_D	1.368	1.00
266_R	270_L	1.368	1.00
89_R	140_G	1.363	1.00
59_E	187_K	1.360	1.00
161_S	190_G	1.357	1.00
256_E	260_S	1.356	1.00
93_T	105_A	1.356	1.00
263_E	267_T	1.352	1.00
19_V	22_K	1.345	1.00
311_E	373_L	1.336	1.00
128_E	159_H	1.336	1.00
311_E	314_R	1.336	1.00
141_L	172_H	1.330	1.00
48_C	245_T	1.325	1.00
163_Y	166_N	1.325	1.00
193_A	212_I	1.304	1.00
15_E	250_L	1.303	1.00
17_L	25_M	1.300	1.00
47_Y	51_K	1.287	1.00
270_L	296_I	1.281	1.00
269_F	363_L	1.268	1.00
129_E	133_T	1.268	1.00
276_R	371_T	1.264	1.00
50_E	54_N	1.262	1.00
129_E	132_L	1.251	1.00
202_H	355_G	1.251	1.00
118_I	134_H	1.250	1.00
360_A	364_E	1.246	1.00
201_I	244_F	1.245	1.00
270_L	274_R	1.241	1.00
61_S	214_P	1.237	1.00
121_N	127_T	1.236	1.00
80_L	170_L	1.233	1.00
319_I	350_I	1.228	1.00
55_I	179_F	1.228	1.00
254_E	257_K	1.224	1.00
260_S	264_A	1.218	1.00
147_A	178_T	1.214	1.00
144_I	157_I	1.212	1.00
179_F	196_M	1.209	1.00
93_T	117_V	1.202	1.00
44_I	242_G	1.194	1.00
131_L	142_V	1.191	1.00
92_I	134_H	1.185	1.00
123_Y	285_D	1.180	1.00
88_K	140_G	1.177	1.00
317_I	365_Q	1.175	1.00
369_T	372_V	1.171	1.00
132_L	167_K	1.164	1.00
279_P	301_H	1.156	1.00
142_V	169_I	1.150	1.00
270_L	291_C	1.146	1.00
365_Q	368_H	1.143	1.00
144_I	171_L	1.141	1.00
178_T	194_L	1.129	1.00
59_E	214_P	1.127	1.00
128_E	132_L	1.123	1.00
72_S	195_S	1.123	1.00
106_A	109_E	1.121	1.00
245_T	249_E	1.117	1.00
367_L	371_T	1.112	1.00
45_L	241_I	1.112	1.00
131_L	160_L	1.111	1.00
265_L	363_L	1.110	1.00
114_D	136_R	1.109	1.00
52_I	209_A	1.101	1.00
132_L	136_R	1.099	1.00
43_H	47_Y	1.097	1.00
285_D	288_K	1.097	1.00
146_H	194_L	1.092	1.00
186_T	211_Y	1.091	1.00
359_T	362_Q	1.090	1.00
57_G	187_K	1.085	1.00
50_E	53_A	1.084	1.00
277_S	280_V	1.078	1.00
154_I	182_I	1.075	1.00
96_M	155_Q	1.068	1.00
213_R	216_V	1.068	1.00
125_L	290_E	1.062	1.00
183_P	256_E	1.062	1.00
143_S	172_H	1.061	1.00
50_E	60_A	1.059	1.00
271_D	274_R	1.059	1.00
63_I	211_Y	1.058	1.00
172_H	195_S	1.044	1.00
102_H	117_V	1.043	1.00
51_K	54_N	1.042	1.00
272_Q	368_H	1.037	1.00
103_N	106_A	1.030	1.00
91_F	105_A	1.023	1.00
92_I	139_T	1.018	1.00
161_S	165_H	1.016	1.00
165_H	171_L	1.009	1.00
311_E	315_S	1.001	1.00
266_R	296_I	0.998	1.00
59_E	62_G	0.998	1.00
136_R	139_T	0.997	1.00
246_A	250_L	0.992	1.00
146_H	189_L	0.991	1.00
81_L	113_Y	0.988	1.00
55_I	248_A	0.988	1.00
170_L	193_A	0.985	1.00
193_A	216_V	0.976	1.00
132_L	159_H	0.963	1.00
101_I	143_S	0.963	1.00
317_I	366_L	0.963	1.00
136_R	167_K	0.961	1.00
52_I	248_A	0.959	1.00
78_Q	107_F	0.954	1.00
254_E	258_Q	0.953	1.00
368_H	372_V	0.948	1.00
258_Q	356_R	0.939	1.00
56_I	196_M	0.937	1.00
270_L	282_L	0.929	1.00
261_R	264_A	0.928	1.00
17_L	24_S	0.925	1.00
269_F	366_L	0.924	1.00
135_I	139_T	0.922	1.00
192_D	213_R	0.922	1.00
36_D	40_K	0.920	1.00
201_I	248_A	0.918	1.00
309_M	321_T	0.915	1.00
285_D	290_E	0.913	1.00
257_K	260_S	0.912	1.00
298_C	352_I	0.907	1.00
207_V	241_I	0.904	1.00
198_S	207_V	0.900	1.00
56_I	211_Y	0.898	1.00
257_K	261_R	0.898	1.00
364_E	368_H	0.897	1.00
265_L	360_A	0.893	1.00
164_L	167_K	0.893	1.00
249_E	253_S	0.893	1.00
312_C	319_I	0.892	1.00
269_F	296_I	0.892	1.00
146_H	184_I	0.887	1.00
310_L	313_N	0.887	1.00
109_E	117_V	0.886	1.00
354_F	363_L	0.883	1.00
107_F	110_Q	0.882	1.00
317_I	369_T	0.880	1.00
361_E	364_E	0.877	1.00
77_I	105_A	0.874	1.00
258_Q	262_N	0.872	1.00
258_Q	261_R	0.870	1.00
78_Q	82_N	0.865	1.00
358_T	363_L	0.864	1.00
128_E	131_L	0.858	1.00
361_E	365_Q	0.854	1.00
283_A	297_G	0.854	1.00
274_R	285_D	0.854	1.00
16_A	247_A	0.853	1.00
283_A	349_F	0.853	1.00
53_A	58_G	0.852	1.00
219_K	223_P	0.849	1.00
198_S	203_G	0.848	1.00
158_Q	189_L	0.842	1.00
273_I	298_C	0.840	1.00
172_H	193_A	0.833	1.00
37_A	318_C	0.833	1.00
58_G	62_G	0.833	1.00
319_I	352_I	0.830	1.00
307_Y	311_E	0.829	1.00
142_V	160_L	0.827	1.00
145_Q	149_S	0.826	1.00
80_L	193_A	0.826	1.00
47_Y	249_E	0.817	1.00
40_K	43_H	0.817	1.00
146_H	157_I	0.815	1.00
48_C	51_K	0.813	1.00
179_F	248_A	0.808	1.00
170_L	216_V	0.807	1.00
20_Y	24_S	0.807	1.00
119_E	134_H	0.804	1.00
309_M	319_I	0.801	1.00
223_P	226_T	0.801	1.00
306_Q	310_L	0.799	1.00
95_A	120_P	0.796	1.00
190_G	213_R	0.791	1.00
221_V	226_T	0.783	1.00
164_L	168_G	0.783	1.00
178_T	182_I	0.781	1.00
125_L	155_Q	0.780	1.00
64_Y	75_L	0.779	1.00
179_F	201_I	0.778	1.00
185_N	189_L	0.776	1.00
207_V	240_G	0.766	1.00
116_T	136_R	0.765	1.00
89_R	114_D	0.762	1.00
269_F	352_I	0.761	1.00
179_F	184_I	0.756	1.00
269_F	367_L	0.751	1.00
76_A	210_V	0.746	1.00
73_N	195_S	0.745	1.00
36_D	313_N	0.745	1.00
106_A	117_V	0.743	1.00
161_S	189_L	0.743	1.00
131_L	135_I	0.742	1.00
108_L	111_Q	0.740	1.00
116_T	139_T	0.739	1.00
366_L	370_F	0.736	1.00
94_T	144_I	0.735	1.00
358_T	362_Q	0.733	1.00
15_E	253_S	0.732	1.00
102_H	106_A	0.732	1.00
202_H	356_R	0.731	1.00
44_I	47_Y	0.729	1.00
175_A	179_F	0.728	1.00
51_K	248_A	0.723	1.00
220_P	223_P	0.722	1.00
368_H	371_T	0.718	1.00
51_K	55_I	0.717	1.00
220_P	224_L	0.714	1.00
280_V	300_F	0.714	1.00
92_I	116_T	0.712	1.00
303_F	308_V	0.711	1.00
22_K	27_M	0.711	1.00
71_E	222_Y	0.711	1.00
218_W	222_Y	0.710	1.00
299_F	348_Q	0.709	1.00
55_I	252_V	0.709	1.00
56_I	186_T	0.708	1.00
267_T	288_K	0.708	1.00
45_L	238_V	0.702	1.00
91_F	141_L	0.702	1.00
48_C	241_I	0.701	1.00
221_V	224_L	0.699	1.00
93_T	143_S	0.696	1.00
284_A	291_C	0.695	1.00
15_E	18_T	0.694	1.00
62_G	187_K	0.694	1.00
15_E	246_A	0.693	1.00
175_A	178_T	0.693	1.00
135_I	167_K	0.691	1.00
145_Q	155_Q	0.690	1.00
23_L	44_I	0.687	1.00
170_L	192_D	0.687	1.00
24_S	239_P	0.685	1.00
264_A	268_Y	0.682	1.00
135_I	169_I	0.681	1.00
222_Y	226_T	0.680	1.00
183_P	259_I	0.680	1.00
42_K	46_E	0.678	1.00
266_R	291_C	0.678	1.00
290_E	293_P	0.672	1.00
58_G	211_Y	0.672	1.00
291_C	295_I	0.672	1.00
292_L	295_I	0.669	1.00
52_I	65_F	0.667	1.00
114_D	138_E	0.662	1.00
78_Q	221_V	0.661	1.00
310_L	314_R	0.658	1.00
35_H	38_G	0.658	1.00
161_S	173_C	0.658	1.00
22_K	25_M	0.657	1.00
308_V	370_F	0.657	1.00
146_H	154_I	0.655	1.00
75_L	79_S	0.654	1.00
105_A	143_S	0.649	1.00
29_G	32_S	0.649	1.00
184_I	188_N	0.648	1.00
47_Y	50_E	0.646	1.00
93_T	97_E	0.646	1.00
107_F	111_Q	0.646	1.00
94_T	97_E	0.645	1.00
109_E	113_Y	0.645	1.00
121_N	130_I	0.642	1.00
93_T	115_V	0.639	1.00
308_V	373_L	0.636	1.00
76_A	172_H	0.636	1.00
15_E	254_E	0.636	1.00
14_E	21_Q	0.632	1.00
176_V	197_S	0.631	1.00
157_I	171_L	0.631	1.00
161_S	191_V	0.631	1.00
128_E	160_L	0.627	1.00
99_Q	103_N	0.626	1.00
272_Q	277_S	0.625	1.00
268_Y	363_L	0.624	1.00
90_H	137_P	0.624	1.00
222_Y	225_T	0.623	1.00
268_Y	271_D	0.623	1.00
366_L	369_T	0.621	1.00
307_Y	310_L	0.620	1.00
146_H	173_C	0.620	1.00
209_A	244_F	0.617	1.00
14_E	17_L	0.609	1.00
137_P	167_K	0.609	1.00
227_H	230_G	0.608	1.00
183_P	255_M	0.607	1.00
235_T	238_V	0.606	1.00
355_G	358_T	0.604	1.00
295_I	353_S	0.603	1.00
19_V	242_G	0.602	1.00
221_V	225_T	0.601	1.00
105_A	115_V	0.599	1.00
233_A	236_V	0.599	1.00
305_G	309_M	0.599	1.00
234_G	239_P	0.598	1.00
300_F	308_V	0.596	1.00
68_G	208_G	0.594	1.00
364_E	367_L	0.593	1.00
210_V	213_R	0.593	1.00
296_I	299_F	0.593	1.00
269_F	273_I	0.590	1.00
255_M	259_I	0.588	1.00
69_G	195_S	0.587	1.00
147_A	154_I	0.587	1.00
233_A	238_V	0.585	1.00
49_R	228_E	0.583	1.00
194_L	211_Y	0.583	1.00
69_G	73_N	0.583	1.00
131_L	163_Y	0.583	1.00
96_M	120_P	0.583	1.00
158_Q	190_G	0.582	1.00
132_L	135_I	0.581	1.00
56_I	179_F	0.581	1.00
118_I	130_I	0.580	1.00
16_A	246_A	0.580	1.00
209_A	212_I	0.579	1.00
285_D	289_A	0.579	1.00
217_P	220_P	0.579	1.00
109_E	115_V	0.577	1.00
92_I	118_I	0.577	1.00
23_L	242_G	0.576	1.00
299_F	345_E	0.573	1.00
46_E	49_R	0.573	1.00
104_C	223_P	0.573	1.00
228_E	232_R	0.571	1.00
300_F	374_W	0.570	1.00
234_G	237_N	0.570	1.00
251_I	258_Q	0.569	1.00
62_G	213_R	0.568	1.00
162_S	165_H	0.567	1.00
159_H	163_Y	0.567	1.00
30_N	33_S	0.566	1.00
161_S	164_L	0.566	1.00
18_T	25_M	0.566	1.00
184_I	187_K	0.566	1.00
251_I	255_M	0.565	1.00
198_S	201_I	0.565	1.00
53_A	60_A	0.564	1.00
19_V	23_L	0.564	1.00
145_Q	148_N	0.562	1.00
28_Y	31_A	0.562	1.00
32_S	236_V	0.559	1.00
170_L	215_D	0.559	1.00
249_E	252_V	0.558	1.00
295_I	299_F	0.558	1.00
271_D	276_R	0.558	1.00
200_K	351_R	0.554	1.00
58_G	194_L	0.553	1.00
273_I	367_L	0.552	1.00
232_R	236_V	0.551	1.00
74_F	78_Q	0.550	1.00
125_L	285_D	0.549	1.00
118_I	131_L	0.549	1.00
78_Q	81_L	0.549	1.00
184_I	194_L	0.548	1.00
269_F	272_Q	0.547	1.00
75_L	221_V	0.546	1.00
369_T	373_L	0.545	1.00
54_N	57_G	0.545	1.00
201_I	251_I	0.545	1.00
20_Y	239_P	0.543	1.00
260_S	263_E	0.541	1.00
160_L	171_L	0.539	1.00
303_F	307_Y	0.539	1.00
23_L	27_M	0.539	1.00
272_Q	363_L	0.537	1.00
45_L	236_V	0.537	1.00
125_L	153_I	0.530	1.00
300_F	370_F	0.530	1.00
268_Y	367_L	0.530	1.00
186_T	189_L	0.528	1.00
157_I	161_S	0.527	1.00
261_R	360_A	0.527	1.00
219_K	222_Y	0.527	1.00
23_L	239_P	0.527	1.00
250_L	356_R	0.524	1.00
186_T	191_V	0.523	1.00
273_I	280_V	0.522	1.00
265_L	358_T	0.521	1.00
245_T	248_A	0.521	1.00
186_T	190_G	0.520	1.00
263_E	266_R	0.519	1.00
305_G	321_T	0.516	1.00
277_S	367_L	0.513	1.00
193_A	210_V	0.513	1.00
165_H	169_I	0.513	1.00
218_W	221_V	0.512	1.00
187_K	190_G	0.511	1.00
22_K	44_I	0.511	1.00
248_A	252_V	0.510	1.00
265_L	354_F	0.509	1.00
236_V	239_P	0.509	1.00
101_I	105_A	0.509	1.00
202_H	251_I	0.508	1.00
58_G	186_T	0.508	1.00
70_T	74_F	0.507	1.00
259_I	262_N	0.507	1.00
44_I	245_T	0.506	1.00
232_R	238_V	0.506	1.00
264_A	267_T	0.504	1.00
121_N	124_G	0.504	1.00
234_G	238_V	0.503	1.00
171_L	191_V	0.503	1.00
313_N	318_C	0.503	1.00
220_P	225_T	0.501	1.00
217_P	221_V	0.501	1.00
109_E	114_D	0.500	1.00

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
4isyA	2	0.9544	100	0.39	Contact Map
1eg5A	2	0.9139	100	0.393	Contact Map
4hvkA	2	0.9342	100	0.397	Contact Map
3e9kA	2	0.8785	100	0.4	Contact Map
3vaxA	2	0.8835	100	0.401	Contact Map
3a9zA	2	0.9519	100	0.402	Contact Map
3lvmA	2	0.9747	100	0.412	Contact Map
4ixoA	2	0.8987	100	0.422	Contact Map
1kmjA	2	0.9165	100	0.427	Contact Map
3caiA	2	0.8987	100	0.431	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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