ISCS1 - BACSU - GREMLIN Contacts

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ISCS1 - Putative cysteine desulfurase IscS 1

UniProt:	O34599	Sequences: MERIYLDHAATSPMDERVLEQMIPHFSGSFGNPSSIHSFGRESRKWVDEARAQIAAEIGAAEQEIIFTSGGTEADNLAIMGTALARKDLGRHIITTKIEHHAVLHTCEKLEGDGFDITYLDVDQNGRVSAKQVKEALRDDTILVTVMYGNNEVGTVQPIEEIGELLKEHKAYFHTDAVQAFGLLPIDVKNSHIDLLSVSGHKLNGPKGTGFLYASKDVKLSPLLFGGEQERKRRAGTENVPGIVGLKEAIKLSSEERDEKNEKYQSFKAIFADTLRDAGVAFEVNGDKEHSLPHVLNLYFPGVSVEALLVNLDMAGVAVSSGSACTAGSVLPSHVLTAMFGEESDRLTSSIRISFGLGNTAEQVKTAAKHVADVVKRLT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	379 (331)
Sequences:	28674 (19298)
Seq/√Len:	1060.7

ECOLI - ISCS CSDA SUFS SERC DCEB DCEA LTAE
BACSU - ISCS1 ISCS ISCS2 SUFS YCBU PUCG SERC
HALSA - CSD Q9HR11 Q9HMR6 MFNA Q9HHV3
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
270_I	365_K	3.423	1.00
92_H	118_T	3.305	1.00
163_G	173_F	3.231	1.00
270_I	361_A	3.190	1.00
148_Y	180_A	3.164	1.00
274_T	368_A	3.129	1.00
53_Q	251_K	2.935	1.00
158_P	161_E	2.906	1.00
134_K	165_L	2.767	1.00
177_A	196_L	2.695	1.00
97_K	121_D	2.619	1.00
248_E	251_K	2.484	1.00
278_A	372_A	2.460	1.00
187_D	190_N	2.392	1.00
92_H	138_R	2.362	1.00
198_V	211_F	2.349	1.00
134_K	168_E	2.299	1.00
92_H	116_D	2.298	1.00
239_N	242_G	2.291	1.00
166_L	171_A	2.282	1.00
315_A	373_D	2.251	1.00
144_V	166_L	2.168	1.00
59_G	187_D	2.166	1.00
270_I	274_T	2.136	1.00
132_Q	135_E	2.029	1.00
266_S	361_A	1.997	1.00
283_E	299_Y	1.982	1.00
353_I	367_A	1.977	1.00
160_E	190_N	1.951	1.00
274_T	277_D	1.951	1.00
274_T	365_K	1.949	1.00
92_H	141_T	1.894	1.00
19_L	23_I	1.887	1.00
285_N	299_Y	1.883	1.00
121_D	132_Q	1.866	1.00
118_T	136_A	1.861	1.00
132_Q	136_A	1.830	1.00
53_Q	247_K	1.830	1.00
283_E	301_P	1.813	1.00
56_A	254_S	1.782	1.00
315_A	370_H	1.780	1.00
123_D	127_R	1.774	1.00
160_E	164_E	1.772	1.00
146_V	162_I	1.771	1.00
69_S	73_E	1.769	1.00
164_E	168_E	1.741	1.00
366_T	370_H	1.731	1.00
129_S	132_Q	1.701	1.00
263_K	267_F	1.699	1.00
175_T	193_I	1.695	1.00
24_P	28_G	1.691	1.00
92_H	140_D	1.678	1.00
75_D	102_A	1.675	1.00
166_L	173_F	1.666	1.00
130_A	165_L	1.564	1.00
271_F	355_F	1.563	1.00
68_T	74_A	1.556	1.00
200_G	246_L	1.531	1.00
20_E	24_P	1.521	1.00
311_N	314_M	1.507	1.00
78_A	195_L	1.502	1.00
165_L	169_H	1.500	1.00
53_Q	254_S	1.496	1.00
84_L	113_D	1.496	1.00
193_I	196_L	1.491	1.00
278_A	281_A	1.483	1.00
91_R	140_D	1.477	1.00
21_Q	248_E	1.459	1.00
91_R	142_I	1.453	1.00
22_M	245_G	1.444	1.00
276_R	288_K	1.443	1.00
75_D	174_H	1.442	1.00
261_N	265_Q	1.439	1.00
269_A	273_D	1.439	1.00
297_N	350_S	1.437	1.00
130_A	161_E	1.435	1.00
274_T	278_A	1.427	1.00
161_E	164_E	1.413	1.00
97_K	119_Y	1.412	1.00
71_G	178_V	1.411	1.00
167_K	194_D	1.406	1.00
64_E	216_K	1.401	1.00
49_E	247_K	1.390	1.00
80_M	225_F	1.378	1.00
206_P	245_G	1.371	1.00
29_S	42_E	1.369	1.00
268_K	272_A	1.369	1.00
265_Q	269_A	1.361	1.00
20_E	23_I	1.358	1.00
274_T	372_A	1.357	1.00
143_L	174_H	1.356	1.00
159_I	175_T	1.354	1.00
149_G	292_L	1.353	1.00
165_L	168_E	1.353	1.00
21_Q	24_P	1.351	1.00
137_L	165_L	1.340	1.00
109_K	225_F	1.330	1.00
167_K	192_H	1.326	1.00
304_S	307_A	1.325	1.00
61_A	189_K	1.321	1.00
134_K	169_H	1.311	1.00
123_D	129_S	1.303	1.00
163_G	167_K	1.296	1.00
272_A	296_L	1.296	1.00
49_E	53_Q	1.295	1.00
50_A	247_K	1.286	1.00
258_D	262_E	1.283	1.00
52_A	56_A	1.283	1.00
370_H	373_D	1.278	1.00
272_A	276_R	1.271	1.00
203_L	246_L	1.264	1.00
262_E	266_S	1.261	1.00
224_L	229_Q	1.261	1.00
131_K	134_K	1.257	1.00
95_T	107_C	1.257	1.00
146_V	173_F	1.249	1.00
204_N	356_G	1.249	1.00
361_A	365_K	1.248	1.00
82_T	172_Y	1.247	1.00
94_I	136_A	1.247	1.00
131_K	135_E	1.238	1.00
54_I	211_F	1.231	1.00
163_G	192_H	1.224	1.00
95_T	119_Y	1.224	1.00
125_N	287_D	1.219	1.00
195_L	214_A	1.218	1.00
164_E	192_H	1.216	1.00
311_N	374_V	1.213	1.00
146_V	159_I	1.213	1.00
181_F	198_V	1.209	1.00
319_V	351_I	1.204	1.00
120_L	136_A	1.202	1.00
149_G	180_A	1.196	1.00
57_E	181_F	1.174	1.00
256_E	259_E	1.171	1.00
52_A	55_A	1.167	1.00
271_F	364_V	1.163	1.00
46_W	244_V	1.162	1.00
74_A	197_S	1.156	1.00
366_T	369_K	1.155	1.00
281_A	301_P	1.154	1.00
104_L	119_Y	1.152	1.00
134_K	138_R	1.148	1.00
156_V	184_L	1.141	1.00
133_V	144_V	1.138	1.00
144_V	171_A	1.134	1.00
273_D	277_D	1.122	1.00
63_Q	216_K	1.109	1.00
174_H	197_S	1.108	1.00
247_K	251_K	1.106	1.00
45_K	49_E	1.105	1.00
94_I	141_T	1.100	1.00
273_D	276_R	1.096	1.00
180_A	196_L	1.092	1.00
267_F	364_V	1.089	1.00
188_V	213_Y	1.087	1.00
116_D	138_R	1.086	1.00
148_Y	196_L	1.085	1.00
311_N	315_A	1.077	1.00
98_I	157_Q	1.076	1.00
53_Q	56_A	1.076	1.00
59_G	189_K	1.072	1.00
130_A	134_K	1.070	1.00
105_H	108_E	1.067	1.00
133_V	162_I	1.062	1.00
138_R	169_H	1.061	1.00
61_A	216_K	1.056	1.00
47_V	243_I	1.046	1.00
272_A	284_V	1.046	1.00
65_I	213_Y	1.041	1.00
360_T	363_Q	1.036	1.00
167_K	173_F	1.034	1.00
145_T	174_H	1.034	1.00
185_P	258_D	1.031	1.00
368_A	372_A	1.028	1.00
138_R	141_T	1.021	1.00
317_V	366_T	1.013	1.00
172_Y	195_L	0.999	1.00
268_K	296_L	0.998	1.00
251_K	255_E	0.994	1.00
148_Y	191_S	0.988	1.00
83_A	115_F	0.986	1.00
149_G	293_P	0.986	1.00
248_E	252_L	0.979	1.00
274_T	369_K	0.978	1.00
134_K	161_E	0.976	1.00
309_L	321_S	0.975	1.00
194_D	215_S	0.972	1.00
80_M	109_K	0.971	1.00
90_G	142_I	0.965	1.00
57_E	250_I	0.959	1.00
79_I	107_C	0.951	1.00
160_E	191_S	0.943	1.00
259_E	262_E	0.940	1.00
355_F	364_V	0.939	1.00
54_I	250_I	0.938	1.00
310_V	313_D	0.938	1.00
195_L	218_V	0.935	1.00
277_D	372_A	0.934	1.00
312_L	319_V	0.933	1.00
263_K	266_S	0.931	1.00
259_E	263_K	0.931	1.00
58_I	198_V	0.930	1.00
103_V	145_T	0.928	1.00
298_L	353_I	0.927	1.00
317_V	370_H	0.927	1.00
260_K	357_L	0.925	1.00
19_L	26_F	0.924	1.00
317_V	367_A	0.914	1.00
108_E	111_E	0.913	1.00
93_I	107_C	0.912	1.00
200_G	209_T	0.910	1.00
319_V	353_I	0.906	1.00
365_K	369_K	0.903	1.00
275_L	298_L	0.903	1.00
38_S	42_E	0.900	1.00
369_K	373_D	0.900	1.00
359_N	364_V	0.900	1.00
260_K	264_Y	0.894	1.00
137_L	141_T	0.893	1.00
209_T	243_I	0.886	1.00
174_H	195_L	0.879	1.00
148_Y	186_I	0.872	1.00
61_A	64_E	0.871	1.00
260_K	263_K	0.870	1.00
147_M	151_N	0.869	1.00
130_A	133_V	0.869	1.00
362_E	365_K	0.867	1.00
200_G	205_G	0.866	1.00
109_K	112_G	0.864	1.00
285_N	297_N	0.864	1.00
58_I	213_Y	0.859	1.00
307_A	311_N	0.858	1.00
50_A	53_Q	0.857	1.00
80_M	84_L	0.856	1.00
203_L	250_I	0.855	1.00
163_G	191_S	0.854	1.00
362_E	366_T	0.852	1.00
271_F	296_L	0.847	1.00
172_Y	218_V	0.840	1.00
55_A	60_A	0.838	1.00
87_K	91_R	0.835	1.00
285_N	350_S	0.832	1.00
42_E	45_K	0.826	1.00
271_F	367_A	0.822	1.00
82_T	195_L	0.822	1.00
306_E	310_V	0.821	1.00
148_Y	159_I	0.818	1.00
22_M	26_F	0.817	1.00
144_V	162_I	0.816	1.00
137_L	169_H	0.815	1.00
18_V	249_A	0.815	1.00
84_L	112_G	0.813	1.00
215_S	218_V	0.813	1.00
267_F	361_A	0.812	1.00
49_E	251_K	0.810	1.00
209_T	242_G	0.808	1.00
278_A	368_A	0.804	1.00
166_L	170_K	0.803	1.00
39_F	318_A	0.802	1.00
123_D	132_Q	0.799	1.00
256_E	260_K	0.798	1.00
118_T	138_R	0.795	1.00
97_K	122_V	0.789	1.00
276_R	287_D	0.789	1.00
282_F	300_F	0.784	1.00
91_R	116_D	0.778	1.00
223_L	227_G	0.778	1.00
24_P	29_S	0.776	1.00
309_L	319_V	0.775	1.00
53_Q	57_E	0.774	1.00
271_F	353_I	0.771	1.00
118_T	141_T	0.771	1.00
78_A	212_L	0.771	1.00
181_F	250_I	0.770	1.00
367_A	371_V	0.769	1.00
121_D	136_A	0.768	1.00
75_D	197_S	0.765	1.00
66_I	77_L	0.765	1.00
187_D	191_S	0.764	1.00
93_I	143_L	0.763	1.00
222_P	225_F	0.762	1.00
177_A	181_F	0.761	1.00
127_R	157_Q	0.760	1.00
181_F	203_L	0.758	1.00
192_H	215_S	0.757	1.00
94_I	118_T	0.753	1.00
177_A	180_A	0.751	1.00
356_G	359_N	0.751	1.00
226_G	229_Q	0.750	1.00
310_V	314_M	0.748	1.00
359_N	363_Q	0.746	1.00
80_M	223_L	0.745	1.00
185_P	261_N	0.744	1.00
292_L	295_V	0.744	1.00
221_S	225_F	0.743	1.00
181_F	186_I	0.743	1.00
224_L	227_G	0.740	1.00
247_K	250_I	0.739	1.00
25_H	46_W	0.739	1.00
46_W	49_E	0.739	1.00
133_V	137_L	0.738	1.00
204_N	357_L	0.733	1.00
266_S	270_I	0.733	1.00
225_F	229_Q	0.730	1.00
96_T	146_V	0.727	1.00
108_E	119_Y	0.725	1.00
95_T	117_I	0.724	1.00
26_F	241_P	0.724	1.00
139_D	169_H	0.724	1.00
137_L	171_A	0.715	1.00
291_S	295_V	0.714	1.00
299_Y	349_S	0.712	1.00
57_E	254_S	0.710	1.00
87_K	90_G	0.708	1.00
172_Y	194_D	0.708	1.00
186_I	190_N	0.706	1.00
308_L	374_V	0.706	1.00
58_I	188_V	0.704	1.00
166_L	169_H	0.703	1.00
95_T	145_T	0.700	1.00
180_A	184_L	0.699	1.00
60_A	213_Y	0.699	1.00
50_A	243_I	0.697	1.00
38_S	313_D	0.696	1.00
88_D	91_R	0.694	1.00
223_L	226_G	0.691	1.00
272_A	292_L	0.690	1.00
64_E	189_K	0.689	1.00
92_H	139_D	0.688	1.00
272_A	288_K	0.687	1.00
188_V	192_H	0.686	1.00
308_L	371_V	0.686	1.00
53_Q	250_I	0.686	1.00
369_K	372_A	0.682	1.00
147_M	157_Q	0.681	1.00
49_E	52_A	0.678	1.00
54_I	67_F	0.678	1.00
104_L	108_E	0.676	1.00
60_A	64_E	0.675	1.00
47_V	240_V	0.674	1.00
107_C	117_I	0.673	1.00
275_L	282_F	0.672	1.00
264_Y	294_H	0.669	1.00
178_V	199_S	0.668	1.00
148_Y	156_V	0.666	1.00
188_V	191_S	0.665	1.00
44_R	48_D	0.665	1.00
163_G	193_I	0.664	1.00
116_D	140_D	0.663	1.00
78_A	174_H	0.661	1.00
365_K	368_A	0.659	1.00
73_E	224_L	0.656	1.00
31_G	34_S	0.654	1.00
120_L	133_V	0.654	1.00
161_E	165_L	0.650	1.00
278_A	369_K	0.650	1.00
159_I	173_F	0.649	1.00
303_V	308_L	0.649	1.00
52_A	62_E	0.648	1.00
271_F	275_L	0.645	1.00
71_G	75_D	0.643	1.00
56_A	59_G	0.642	1.00
120_L	132_Q	0.641	1.00
95_T	99_E	0.640	1.00
163_G	175_T	0.640	1.00
164_E	167_K	0.636	1.00
272_A	291_S	0.634	1.00
58_I	181_F	0.633	1.00
94_I	120_L	0.633	1.00
294_H	297_N	0.631	1.00
211_F	246_L	0.628	1.00
367_A	370_H	0.628	1.00
21_Q	25_H	0.626	1.00
307_A	310_V	0.626	1.00
71_G	197_S	0.624	1.00
222_P	227_G	0.622	1.00
270_I	273_D	0.622	1.00
322_G	325_C	0.621	1.00
295_V	354_S	0.619	1.00
257_R	261_N	0.618	1.00
51_R	230_E	0.616	1.00
258_D	261_N	0.612	1.00
100_H	151_N	0.611	1.00
222_P	226_G	0.611	1.00
163_G	166_L	0.611	1.00
271_F	368_A	0.610	1.00
96_T	99_E	0.610	1.00
220_L	224_L	0.609	1.00
223_L	229_Q	0.609	1.00
189_K	192_H	0.606	1.00
109_K	113_D	0.605	1.00
130_A	162_I	0.604	1.00
149_G	156_V	0.603	1.00
148_Y	175_T	0.603	1.00
101_H	105_H	0.602	1.00
200_G	203_L	0.601	1.00
107_C	145_T	0.598	1.00
37_H	40_G	0.598	1.00
271_F	274_T	0.598	1.00
262_E	265_Q	0.598	1.00
25_H	244_V	0.597	1.00
185_P	257_R	0.596	1.00
47_V	238_E	0.594	1.00
120_L	128_V	0.591	1.00
60_A	196_L	0.591	1.00
110_L	113_D	0.589	1.00
270_I	364_V	0.588	1.00
186_I	196_L	0.585	1.00
123_D	126_G	0.583	1.00
313_D	318_A	0.582	1.00
134_K	137_L	0.581	1.00
62_E	216_K	0.580	1.00
21_Q	244_V	0.580	1.00
162_I	173_F	0.579	1.00
256_E	357_L	0.579	1.00
22_M	241_P	0.578	1.00
110_L	115_F	0.576	1.00
35_S	40_G	0.575	1.00
275_L	368_A	0.575	1.00
84_L	221_S	0.574	1.00
70_G	210_G	0.573	1.00
245_G	249_A	0.573	1.00
98_I	122_V	0.571	1.00
266_S	269_A	0.571	1.00
270_I	368_A	0.571	1.00
76_N	80_M	0.571	1.00
48_D	51_R	0.568	1.00
147_M	150_N	0.567	1.00
202_K	352_R	0.567	1.00
253_S	257_R	0.564	1.00
18_V	248_E	0.563	1.00
246_L	250_I	0.562	1.00
75_D	145_T	0.561	1.00
188_V	193_I	0.560	1.00
267_F	359_N	0.558	1.00
292_L	296_L	0.557	1.00
219_K	222_P	0.557	1.00
278_A	282_F	0.557	1.00
160_E	192_H	0.555	1.00
133_V	165_L	0.555	1.00
185_P	190_N	0.555	1.00
265_Q	268_K	0.554	1.00
24_P	46_W	0.552	1.00
195_L	212_L	0.552	1.00
224_L	228_E	0.550	1.00
125_N	288_K	0.550	1.00
34_S	238_E	0.550	1.00
196_L	213_Y	0.549	1.00
173_F	193_I	0.549	1.00
30_F	33_P	0.546	1.00
127_R	155_T	0.546	1.00
48_D	52_A	0.546	1.00
253_S	260_K	0.546	1.00
77_L	223_L	0.544	1.00
267_F	355_F	0.544	1.00
370_H	374_V	0.544	1.00
252_L	357_L	0.543	1.00
264_Y	355_F	0.541	1.00
207_K	240_V	0.534	1.00
29_S	46_W	0.531	1.00
250_I	254_S	0.531	1.00
46_W	247_K	0.530	1.00
304_S	348_T	0.529	1.00
244_V	247_K	0.529	1.00
274_T	364_V	0.529	1.00
111_E	119_Y	0.527	1.00
25_H	29_S	0.526	1.00
268_K	291_S	0.526	1.00
87_K	115_F	0.525	1.00
251_K	254_S	0.523	1.00
261_N	264_Y	0.523	1.00
70_G	73_E	0.521	1.00
235_A	238_E	0.519	1.00
305_V	309_L	0.516	1.00
267_F	270_I	0.514	1.00
60_A	188_V	0.514	1.00
236_G	239_N	0.513	1.00
300_F	308_L	0.512	1.00
30_F	34_S	0.510	1.00
235_A	240_V	0.508	1.00
203_L	253_S	0.508	1.00
159_I	193_I	0.507	1.00
103_V	107_C	0.507	1.00
308_L	312_L	0.506	1.00
246_L	249_A	0.506	1.00
73_E	77_L	0.506	1.00
25_H	241_P	0.506	1.00
275_L	371_V	0.505	1.00
263_K	361_A	0.504	1.00
52_A	63_Q	0.503	1.00
230_E	234_R	0.502	1.00
305_V	321_S	0.502	1.00
41_R	44_R	0.501	1.00
22_M	25_H	0.500	1.00
148_Y	177_A	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	0.971	100	0.352	Contact Map
1eg5A	2	0.9551	100	0.359	Contact Map
3vaxA	2	0.9208	100	0.364	Contact Map
4hvkA	2	0.9631	100	0.367	Contact Map
3a9zA	2	0.9789	100	0.376	Contact Map
3lvmA	2	0.9763	100	0.378	Contact Map
3e9kA	2	0.9208	100	0.383	Contact Map
4ixoA	2	0.9367	100	0.392	Contact Map
1kmjA	2	0.9604	100	0.392	Contact Map
3caiA	2	0.942	100	0.399	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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