CYSM - BACSU - GREMLIN Contacts

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CYSM - Probable cysteine synthase

UniProt:	O34476	Sequences: MLKIVANTADLIGDTPLVRLNRLQPENAAQVYLKLEFFNPSGSVKDRAAYQMIIEAEQNGLLKPGSVIIEPTSGNTGIGLAMNAAARGYKAILVMPDTMTKERINLLKAYGAEVVLTPGEERMPGSIKKAKELAEQIPNSYIPMQFDNTANPDAHRKTTAPEIARAIEEIGKPLGAFVASSGTGGTITGTGEALKELFPDITVHVVEPAGSPVLSGGKPGAHKLVGTSPGFIPPILNEDVYDEIIKISDEDAYTTTRRLAAEEGILVGPSSGAACFAAIETAKRLSPDKVVVCMTADTGERYLSTDLWSFI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	311 (282)
Sequences:	21337 (11196)
Seq/√Len:	666.7

ECOLI - CYSK CYSM ILVA SDHD TDCB TRPB DPAL DCYD THRC
BACSU - CYSM CYSK MCCA ILVA THRC TRPB SDHD
HALSA - Q9HNH6 Q9HQ70 Q9HRU4 Q9HMQ7 Q9HNH0 TRPB Q9HRP3
SULSO - Q980P1 TRPB1 TRPB2 Q980F2 Q97ZL6 Q97ZT5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
84_A	91_A	3.942	1.00
129_K	132_E	3.373	1.00
30_Q	290_V	3.348	1.00
19_R	30_Q	3.054	1.00
163_I	292_V	2.576	1.00
258_R	262_E	2.570	1.00
176_A	204_H	2.565	1.00
251_D	280_E	2.562	1.00
101_K	105_N	2.558	1.00
55_E	59_N	2.521	1.00
14_D	165_R	2.421	1.00
67_V	92_I	2.413	1.00
209_A	248_S	2.390	1.00
90_K	113_E	2.329	1.00
55_E	150_A	2.299	1.00
97_D	118_P	2.284	1.00
57_E	89_Y	2.276	1.00
202_T	243_E	2.237	1.00
92_I	113_E	2.232	1.00
132_E	136_Q	2.188	1.00
94_V	133_L	2.171	1.00
14_D	166_A	2.055	1.00
191_G	240_V	2.012	1.00
210_G	249_D	2.004	1.00
54_I	87_R	2.002	1.00
274_A	293_C	1.985	1.00
32_Y	290_V	1.979	1.00
248_S	251_D	1.970	1.00
286_S	289_K	1.969	1.00
92_I	115_V	1.963	1.00
161_P	193_A	1.962	1.00
198_F	201_I	1.937	1.00
191_G	203_V	1.925	1.00
147_D	234_P	1.909	1.00
215_S	219_P	1.903	1.00
17_L	292_V	1.883	1.00
156_R	196_E	1.862	1.00
57_E	60_G	1.810	1.00
177_F	194_L	1.795	1.00
181_S	205_V	1.772	1.00
212_P	216_G	1.757	1.00
206_V	277_A	1.753	1.00
204_H	243_E	1.727	1.00
156_R	192_E	1.705	1.00
41_S	82_M	1.693	1.00
144_M	147_D	1.689	1.00
259_L	267_V	1.687	1.00
131_K	135_E	1.687	1.00
32_Y	167_I	1.630	1.00
174_L	292_V	1.617	1.00
255_T	276_F	1.614	1.00
19_R	32_Y	1.596	1.00
259_L	275_C	1.584	1.00
258_R	279_I	1.576	1.00
177_F	190_T	1.556	1.00
175_G	290_V	1.549	1.00
195_K	242_D	1.546	1.00
175_G	289_K	1.546	1.00
243_E	284_R	1.539	1.00
104_I	116_L	1.531	1.00
19_R	24_Q	1.498	1.00
72_T	77_G	1.481	1.00
57_E	87_R	1.479	1.00
164_A	197_L	1.473	1.00
33_L	295_T	1.471	1.00
160_A	190_T	1.466	1.00
227_T	273_A	1.462	1.00
50_Y	54_I	1.458	1.00
105_N	108_K	1.441	1.00
176_A	289_K	1.398	1.00
176_A	286_S	1.397	1.00
160_A	194_L	1.395	1.00
127_I	131_K	1.392	1.00
187_I	241_Y	1.378	1.00
104_I	108_K	1.377	1.00
115_V	129_K	1.369	1.00
255_T	279_I	1.368	1.00
52_M	148_N	1.358	1.00
67_V	90_K	1.314	1.00
178_V	281_T	1.310	1.00
216_G	219_P	1.304	1.00
101_K	104_I	1.290	1.00
178_V	206_V	1.290	1.00
134_A	142_I	1.287	1.00
176_A	202_T	1.284	1.00
26_E	258_R	1.279	1.00
276_F	280_E	1.274	1.00
251_D	276_F	1.268	1.00
172_K	290_V	1.263	1.00
54_I	58_Q	1.257	1.00
124_P	128_K	1.256	1.00
95_M	107_L	1.255	1.00
55_E	58_Q	1.244	1.00
209_A	246_K	1.232	1.00
192_E	237_N	1.215	1.00
215_S	246_K	1.214	1.00
107_L	112_A	1.214	1.00
51_Q	157_K	1.212	1.00
160_A	193_A	1.212	1.00
26_E	262_E	1.212	1.00
281_T	284_R	1.209	1.00
104_I	114_V	1.203	1.00
255_T	275_C	1.198	1.00
20_L	33_L	1.190	1.00
193_A	197_L	1.187	1.00
22_R	263_E	1.183	1.00
167_I	174_L	1.177	1.00
267_V	295_T	1.170	1.00
131_K	134_A	1.169	1.00
187_I	203_V	1.164	1.00
194_L	201_I	1.154	1.00
254_T	258_R	1.151	1.00
271_S	295_T	1.146	1.00
161_P	165_R	1.144	1.00
77_G	107_L	1.143	1.00
94_V	129_K	1.138	1.00
18_V	35_L	1.133	1.00
53_I	68_I	1.128	1.00
212_P	246_K	1.125	1.00
164_A	193_A	1.123	1.00
17_L	167_I	1.108	1.00
16_P	38_F	1.106	1.00
17_L	163_I	1.102	1.00
247_I	276_F	1.097	1.00
51_Q	154_A	1.090	1.00
125_G	128_K	1.090	1.00
128_K	131_K	1.088	1.00
251_D	254_T	1.085	1.00
98_T	119_G	1.084	1.00
97_D	119_G	1.082	1.00
173_P	290_V	1.081	1.00
212_P	217_G	1.078	1.00
216_G	220_G	1.072	1.00
260_A	266_L	1.068	1.00
224_L	252_A	1.067	1.00
245_I	277_A	1.066	1.00
205_V	244_I	1.062	1.00
223_K	253_Y	1.050	1.00
95_M	116_L	1.047	1.00
128_K	132_E	1.046	1.00
187_I	205_V	1.045	1.00
281_T	285_L	1.034	1.00
51_Q	55_E	1.027	1.00
59_N	150_A	1.025	1.00
250_E	254_T	1.024	1.00
280_E	283_K	1.024	1.00
204_H	245_I	1.022	1.00
51_Q	54_I	1.020	1.00
68_I	84_A	1.007	1.00
53_I	87_R	0.998	1.00
167_I	292_V	0.997	1.00
49_A	79_G	0.993	1.00
21_N	25_P	0.988	1.00
163_I	174_L	0.987	1.00
80_L	91_A	0.985	1.00
267_V	271_S	0.982	1.00
218_K	244_I	0.980	1.00
176_A	291_V	0.975	1.00
66_S	139_N	0.972	1.00
155_H	159_T	0.969	1.00
257_R	261_A	0.967	1.00
133_L	138_P	0.962	1.00
28_A	287_P	0.959	1.00
164_A	198_F	0.959	1.00
168_E	173_P	0.955	1.00
85_A	91_A	0.954	1.00
53_I	83_N	0.953	1.00
79_G	83_N	0.953	1.00
129_K	133_L	0.950	1.00
31_V	278_A	0.946	1.00
52_M	143_P	0.946	1.00
29_A	289_K	0.946	1.00
22_R	262_E	0.942	1.00
108_K	113_E	0.942	1.00
245_I	280_E	0.940	1.00
29_A	288_D	0.940	1.00
212_P	215_S	0.936	1.00
82_M	110_Y	0.936	1.00
256_T	272_G	0.922	1.00
81_A	112_A	0.921	1.00
190_T	294_M	0.911	1.00
202_T	242_D	0.911	1.00
120_E	125_G	0.906	1.00
278_A	293_C	0.905	1.00
132_E	135_E	0.900	1.00
232_I	235_I	0.895	1.00
24_Q	27_N	0.892	1.00
134_A	140_S	0.891	1.00
282_A	285_L	0.891	1.00
181_S	187_I	0.883	1.00
222_H	228_S	0.882	1.00
69_I	130_A	0.877	1.00
69_I	140_S	0.874	1.00
188_T	235_I	0.873	1.00
69_I	133_L	0.873	1.00
178_V	278_A	0.872	1.00
156_R	193_A	0.871	1.00
22_R	25_P	0.865	1.00
70_E	93_L	0.862	1.00
56_A	141_Y	0.856	1.00
35_L	295_T	0.854	1.00
157_K	161_P	0.850	1.00
11_L	50_Y	0.850	1.00
193_A	196_E	0.849	1.00
271_S	296_A	0.848	1.00
161_P	197_L	0.846	1.00
227_T	270_S	0.839	1.00
275_C	295_T	0.837	1.00
179_A	190_T	0.836	1.00
266_L	299_G	0.830	1.00
274_A	296_A	0.825	1.00
152_P	235_I	0.820	1.00
255_T	258_R	0.817	1.00
105_N	109_A	0.816	1.00
15_T	39_N	0.811	1.00
67_V	140_S	0.806	1.00
223_K	249_D	0.802	1.00
92_I	140_S	0.799	1.00
92_I	133_L	0.797	1.00
178_V	204_H	0.788	1.00
108_K	116_L	0.784	1.00
187_I	237_N	0.783	1.00
167_I	172_K	0.783	1.00
20_L	275_C	0.783	1.00
154_A	157_K	0.781	1.00
215_S	244_I	0.776	1.00
159_T	190_T	0.774	1.00
176_A	285_L	0.773	1.00
214_L	244_I	0.772	1.00
218_K	221_A	0.772	1.00
65_G	139_N	0.771	1.00
213_V	230_G	0.769	1.00
176_A	281_T	0.767	1.00
275_C	293_C	0.767	1.00
178_V	277_A	0.767	1.00
130_A	134_A	0.759	1.00
78_I	107_L	0.757	1.00
202_T	289_K	0.756	1.00
159_T	186_T	0.754	1.00
66_S	90_K	0.754	1.00
164_A	194_L	0.754	1.00
82_M	86_A	0.751	1.00
85_A	110_Y	0.749	1.00
51_Q	150_A	0.749	1.00
211_S	217_G	0.746	1.00
69_I	134_A	0.743	1.00
217_G	221_A	0.742	1.00
35_L	38_F	0.741	1.00
57_E	61_L	0.738	1.00
192_E	196_E	0.737	1.00
130_A	142_I	0.732	1.00
280_E	284_R	0.726	1.00
23_L	279_I	0.723	1.00
267_V	272_G	0.722	1.00
253_Y	269_P	0.721	1.00
174_L	201_I	0.720	1.00
167_I	290_V	0.720	1.00
20_L	263_E	0.713	1.00
29_A	291_V	0.712	1.00
27_N	258_R	0.712	1.00
78_I	106_L	0.711	1.00
237_N	240_V	0.710	1.00
279_I	283_K	0.709	1.00
123_M	126_S	0.708	1.00
180_S	296_A	0.705	1.00
238_E	241_Y	0.705	1.00
159_T	163_I	0.705	1.00
190_T	194_L	0.703	1.00
61_L	89_Y	0.701	1.00
21_N	24_Q	0.701	1.00
56_A	60_G	0.700	1.00
33_L	293_C	0.694	1.00
181_S	244_I	0.692	1.00
164_A	168_E	0.692	1.00
285_L	289_K	0.691	1.00
216_G	221_A	0.689	1.00
159_T	294_M	0.689	1.00
44_V	186_T	0.687	1.00
33_L	275_C	0.684	1.00
68_I	89_Y	0.682	1.00
93_L	107_L	0.682	1.00
133_L	136_Q	0.680	1.00
25_P	28_A	0.678	1.00
117_T	129_K	0.678	1.00
245_I	284_R	0.677	1.00
177_F	294_M	0.675	1.00
243_E	281_T	0.671	1.00
173_P	198_F	0.670	1.00
152_P	192_E	0.669	1.00
252_A	273_A	0.668	1.00
214_L	237_N	0.668	1.00
119_G	125_G	0.667	1.00
91_A	112_A	0.667	1.00
30_Q	288_D	0.667	1.00
144_M	148_N	0.666	1.00
71_P	142_I	0.663	1.00
12_I	46_D	0.661	1.00
94_V	115_V	0.661	1.00
49_A	83_N	0.659	1.00
97_D	116_L	0.659	1.00
213_V	216_G	0.658	1.00
90_K	140_S	0.655	1.00
24_Q	30_Q	0.652	1.00
168_E	172_K	0.646	1.00
55_E	61_L	0.641	1.00
52_M	150_A	0.640	1.00
165_R	197_L	0.639	1.00
103_R	225_V	0.637	1.00
42_G	298_T	0.637	1.00
237_N	241_Y	0.636	1.00
178_V	291_V	0.633	1.00
101_K	108_K	0.631	1.00
68_I	143_P	0.630	1.00
94_V	117_T	0.630	1.00
65_G	90_K	0.630	1.00
27_N	279_I	0.628	1.00
125_G	129_K	0.626	1.00
177_F	201_I	0.626	1.00
48_A	52_M	0.626	1.00
174_L	290_V	0.625	1.00
141_Y	148_N	0.623	1.00
208_P	227_T	0.622	1.00
99_M	104_I	0.622	1.00
20_L	23_L	0.621	1.00
61_L	141_Y	0.619	1.00
71_P	123_M	0.619	1.00
17_L	32_Y	0.619	1.00
13_G	40_P	0.618	1.00
69_I	94_V	0.615	1.00
226_G	270_S	0.614	1.00
126_S	130_A	0.613	1.00
34_K	162_E	0.611	1.00
221_A	238_E	0.611	1.00
127_I	130_A	0.609	1.00
95_M	104_I	0.609	1.00
249_D	253_Y	0.608	1.00
23_L	275_C	0.607	1.00
149_T	152_P	0.606	1.00
259_L	295_T	0.606	1.00
259_L	263_E	0.605	1.00
152_P	236_L	0.604	1.00
74_G	77_G	0.604	1.00
204_H	281_T	0.602	1.00
154_A	192_E	0.597	1.00
271_S	274_A	0.596	1.00
46_D	82_M	0.595	1.00
256_T	269_P	0.594	1.00
180_S	274_A	0.593	1.00
52_M	151_N	0.592	1.00
99_M	225_V	0.592	1.00
179_A	187_I	0.591	1.00
164_A	167_I	0.590	1.00
81_A	107_L	0.588	1.00
259_L	265_I	0.586	1.00
163_I	190_T	0.586	1.00
206_V	273_A	0.584	1.00
12_I	50_Y	0.581	1.00
134_A	138_P	0.580	1.00
133_L	140_S	0.579	1.00
213_V	217_G	0.577	1.00
29_A	282_A	0.576	1.00
224_L	227_T	0.574	1.00
95_M	99_M	0.573	1.00
206_V	245_I	0.572	1.00
35_L	265_I	0.570	1.00
195_K	240_V	0.568	1.00
277_A	281_T	0.566	1.00
68_I	91_A	0.565	1.00
37_F	298_T	0.565	1.00
77_G	93_L	0.564	1.00
24_Q	31_V	0.563	1.00
195_K	239_D	0.562	1.00
41_S	110_Y	0.560	1.00
13_G	39_N	0.559	1.00
131_K	142_I	0.559	1.00
23_L	258_R	0.558	1.00
188_T	192_E	0.558	1.00
92_I	138_P	0.557	1.00
124_P	127_I	0.555	1.00
205_V	241_Y	0.554	1.00
106_L	109_A	0.553	1.00
81_A	91_A	0.549	1.00
123_M	145_Q	0.549	1.00
52_M	141_Y	0.549	1.00
181_S	214_L	0.547	1.00
23_L	27_N	0.546	1.00
24_Q	28_A	0.546	1.00
48_A	76_T	0.546	1.00
177_F	203_V	0.544	1.00
23_L	255_T	0.543	1.00
40_P	46_D	0.543	1.00
17_L	166_A	0.542	1.00
72_T	93_L	0.542	1.00
150_A	154_A	0.540	1.00
11_L	38_F	0.538	1.00
275_C	279_I	0.538	1.00
152_P	188_T	0.529	1.00
24_Q	29_A	0.528	1.00
40_P	82_M	0.525	0.99
23_L	262_E	0.525	0.99
26_E	279_I	0.525	0.99
129_K	136_Q	0.523	0.99
254_T	257_R	0.521	0.99
11_L	54_I	0.520	0.99
67_V	113_E	0.519	0.99
71_P	143_P	0.517	0.99
167_I	173_P	0.515	0.99
113_E	138_P	0.514	0.99
80_L	93_L	0.514	0.99
20_L	24_Q	0.513	0.99
70_E	80_L	0.513	0.99
209_A	212_P	0.513	0.99
207_E	213_V	0.512	0.99
270_S	273_A	0.508	0.99
231_F	234_P	0.507	0.99
123_M	229_P	0.507	0.99
71_P	127_I	0.507	0.99
204_H	242_D	0.506	0.99
154_A	158_T	0.504	0.99
29_A	287_P	0.501	0.99
58_Q	65_G	0.500	0.99
37_F	265_I	0.500	0.99
76_T	156_R	0.500	0.99

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
2q3bA	2	0.9614	100	0.137	Contact Map
2eguA	2	0.8682	100	0.137	Contact Map
2pqmA	2	0.9871	100	0.14	Contact Map
4r2vA	2	0.9775	100	0.141	Contact Map
1y7lA	2	0.9678	100	0.143	Contact Map
4ql4A	2	0.8778	100	0.143	Contact Map
3tbhA	2	0.9871	100	0.145	Contact Map
3vc3A	2	0.9904	100	0.151	Contact Map
4aecA	2	0.9904	100	0.151	Contact Map
1ve1A	2	0.9614	100	0.153	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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