Q9HRP3 - HALSA - GREMLIN Contacts

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Q9HRP3 - Cysteine synthase

UniProt:	Q9HRP3	Sequences: MIEQMLASGELPEGGTIIEPTAGNTGVGFAVAASQLGIDAVFVVPERFSLEKQQLMRALGADVVNTPTDDGMGGAIQRAHDLAAEREDAIVPQQFSNPLNAEAHYETTGPEIYHALDGAVGAFVAGCGTAGTLMGTSRFLRDQISALHVTAVEPEGSMYASAAGADVSEGEYKTEGIGTHDPSTSELFDPEFVDDVTQIPDEDTHAEMQRLAAEEAQLVASSAAANSLAAIDVAERAAAGHIDLPHDCVVTVFPDSSERYLSKGLYGDYEEWEG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	274 (238)
Sequences:	20293 (10460)
Seq/√Len:	678.0

ECOLI - CYSK CYSM ILVA SDHD DPAL TDCB TRPB DCYD
BACSU - MCCA CYSM CYSK ILVA SDHD THRC TRPB
HALSA - Q9HRP3 Q9HQ70 Q9HNH6 Q9HRU4 Q9HNH0 Q9HMQ7 TRPB
SULSO - Q980P1 Q97ZL6 TRPB2 TRPB1 Q980F2 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
33_A	40_A	3.897	1.00
78_R	81_D	3.277	1.00
112_I	250_V	2.701	1.00
203_D	232_D	2.679	1.00
50_L	54_Q	2.667	1.00
43_V	82_L	2.619	1.00
122_A	150_T	2.561	1.00
155_E	200_P	2.515	1.00
210_R	214_E	2.479	1.00
16_T	41_V	2.403	1.00
46_E	67_P	2.381	1.00
39_D	62_D	2.365	1.00
148_H	195_D	2.333	1.00
41_V	62_D	2.290	1.00
156_G	201_D	2.209	1.00
102_E	106_E	2.135	1.00
137_S	192_F	2.132	1.00
137_S	149_V	2.094	1.00
200_P	203_D	2.049	1.00
96_S	186_E	2.046	1.00
226_N	251_T	2.040	1.00
144_I	147_L	2.030	1.00
161_S	165_A	2.027	1.00
110_P	139_F	2.001	1.00
41_V	64_V	1.976	1.00
105_Y	142_D	1.882	1.00
123_F	140_L	1.859	1.00
150_T	195_D	1.855	1.00
127_C	151_A	1.853	1.00
152_V	229_A	1.835	1.00
105_Y	138_R	1.785	1.00
93_Q	96_S	1.771	1.00
53_Q	65_N	1.727	1.00
80_H	84_A	1.724	1.00
158_M	162_A	1.709	1.00
211_L	219_V	1.695	1.00
120_V	250_V	1.691	1.00
207_E	228_L	1.666	1.00
210_R	231_I	1.659	1.00
123_F	136_T	1.649	1.00
195_D	236_R	1.630	1.00
177_I	225_A	1.620	1.00
113_Y	143_Q	1.593	1.00
211_L	227_S	1.573	1.00
21_T	26_G	1.573	1.00
141_R	194_D	1.557	1.00
81_D	86_R	1.549	1.00
109_G	136_T	1.525	1.00
121_G	248_C	1.515	1.00
54_Q	57_R	1.510	1.00
53_Q	57_R	1.458	1.00
50_L	53_Q	1.437	1.00
82_L	86_R	1.427	1.00
133_L	193_V	1.413	1.00
16_T	39_D	1.411	1.00
121_G	247_D	1.410	1.00
64_V	78_R	1.405	1.00
124_V	152_V	1.393	1.00
207_E	231_I	1.392	1.00
83_A	91_V	1.386	1.00
155_E	198_Q	1.373	1.00
228_L	232_D	1.355	1.00
122_A	148_H	1.348	1.00
161_S	198_Q	1.340	1.00
203_D	228_L	1.339	1.00
233_V	236_R	1.335	1.00
76_I	80_H	1.329	1.00
238_A	247_D	1.315	1.00
56_M	61_A	1.308	1.00
139_F	143_Q	1.306	1.00
207_E	227_S	1.296	1.00
71_G	74_G	1.280	1.00
223_A	253_F	1.279	1.00
124_V	233_V	1.278	1.00
133_L	149_V	1.276	1.00
219_V	253_F	1.265	1.00
44_V	56_M	1.263	1.00
43_V	78_R	1.257	1.00
109_G	140_L	1.257	1.00
116_L	120_V	1.250	1.00
140_L	147_L	1.249	1.00
113_Y	139_F	1.248	1.00
53_Q	63_V	1.248	1.00
162_A	165_A	1.234	1.00
197_T	229_A	1.234	1.00
116_L	250_V	1.209	1.00
173_K	205_H	1.208	1.00
109_G	139_F	1.207	1.00
110_P	114_H	1.196	1.00
162_A	166_D	1.188	1.00
199_I	228_L	1.187	1.00
158_M	198_Q	1.181	1.00
86_R	89_A	1.180	1.00
73_G	77_Q	1.171	1.00
150_T	197_T	1.170	1.00
206_A	210_R	1.159	1.00
151_A	196_V	1.153	1.00
138_R	189_D	1.153	1.00
122_A	239_A	1.145	1.00
174_T	204_T	1.144	1.00
46_E	68_T	1.143	1.00
26_G	56_M	1.128	1.00
157_S	163_A	1.124	1.00
232_D	235_E	1.117	1.00
116_L	248_C	1.111	1.00
12_P	15_G	1.107	1.00
133_L	151_A	1.102	1.00
203_D	206_A	1.101	1.00
119_A	248_C	1.101	1.00
80_H	83_A	1.094	1.00
78_R	82_L	1.091	1.00
219_V	223_A	1.090	1.00
212_A	218_L	1.082	1.00
122_A	249_V	1.082	1.00
112_I	120_V	1.079	1.00
136_T	252_V	1.065	1.00
122_A	247_D	1.054	1.00
106_E	110_P	1.049	1.00
31_V	59_L	1.042	1.00
79_A	83_A	1.041	1.00
233_V	237_A	1.041	1.00
44_V	65_N	1.034	1.00
29_F	40_A	1.033	1.00
208_M	224_A	1.033	1.00
230_A	251_T	1.029	1.00
113_Y	144_I	1.028	1.00
104_H	108_T	1.026	1.00
158_M	163_A	1.022	1.00
184_T	187_L	1.019	1.00
74_G	77_Q	1.019	1.00
148_H	194_D	1.015	1.00
17_I	33_A	1.009	1.00
197_T	232_D	0.999	1.00
77_Q	80_H	0.998	1.00
16_T	89_A	0.997	1.00
172_Y	178_G	0.995	1.00
18_I	79_A	0.990	1.00
237_A	247_D	0.990	1.00
47_R	68_T	0.988	1.00
223_A	254_P	0.987	1.00
28_G	32_A	0.980	1.00
202_E	206_A	0.979	1.00
158_M	161_S	0.965	1.00
124_V	230_A	0.958	1.00
30_A	61_A	0.957	1.00
19_E	42_F	0.955	1.00
57_R	62_D	0.953	1.00
82_L	87_E	0.952	1.00
177_I	222_S	0.951	1.00
139_F	142_D	0.949	1.00
77_Q	81_D	0.946	1.00
209_Q	213_A	0.939	1.00
31_V	35_Q	0.935	1.00
18_I	89_A	0.934	1.00
173_K	201_D	0.934	1.00
218_L	257_S	0.930	1.00
105_Y	139_F	0.926	1.00
54_Q	58_A	0.920	1.00
72_M	75_A	0.917	1.00
34_S	40_A	0.909	1.00
187_L	191_E	0.908	1.00
125_A	136_T	0.901	1.00
113_Y	140_L	0.894	1.00
41_V	82_L	0.894	1.00
207_E	210_R	0.885	1.00
227_S	253_F	0.882	1.00
57_R	65_N	0.881	1.00
197_T	236_R	0.873	1.00
122_A	233_V	0.870	1.00
108_T	136_T	0.869	1.00
110_P	143_Q	0.866	1.00
18_I	82_L	0.864	1.00
134_M	187_L	0.857	1.00
226_N	254_P	0.855	1.00
108_T	132_T	0.855	1.00
133_L	189_D	0.845	1.00
124_V	229_A	0.843	1.00
161_S	196_V	0.841	1.00
15_G	88_D	0.838	1.00
234_A	237_A	0.835	1.00
27_V	56_M	0.831	1.00
15_G	39_D	0.831	1.00
83_A	89_A	0.828	1.00
66_T	78_R	0.826	1.00
122_A	237_A	0.825	1.00
18_I	83_A	0.822	1.00
240_G	247_D	0.820	1.00
103_A	106_E	0.816	1.00
124_V	150_T	0.815	1.00
237_A	240_G	0.814	1.00
219_V	224_A	0.814	1.00
127_C	133_L	0.812	1.00
41_V	89_A	0.806	1.00
126_G	254_P	0.805	1.00
102_E	105_Y	0.792	1.00
27_V	55_L	0.789	1.00
227_S	251_T	0.785	1.00
98_P	184_T	0.785	1.00
204_T	225_A	0.782	1.00
167_V	190_P	0.776	1.00
102_E	138_R	0.770	1.00
138_R	142_D	0.769	1.00
79_A	91_V	0.769	1.00
17_I	38_I	0.759	1.00
43_V	64_V	0.748	1.00
123_F	252_V	0.746	1.00
34_S	59_L	0.745	1.00
39_D	89_A	0.741	1.00
136_T	140_L	0.739	1.00
93_Q	97_N	0.738	1.00
50_L	57_R	0.735	1.00
205_H	221_S	0.734	1.00
190_P	193_V	0.733	1.00
48_F	53_Q	0.733	1.00
165_A	195_D	0.731	1.00
68_T	74_G	0.731	1.00
159_Y	180_H	0.729	1.00
13_E	38_I	0.726	1.00
20_P	91_V	0.723	1.00
40_A	61_A	0.722	1.00
42_F	56_M	0.720	1.00
150_T	233_V	0.719	1.00
231_I	235_E	0.717	1.00
201_D	205_H	0.715	1.00
160_A	196_V	0.714	1.00
20_P	72_M	0.710	1.00
229_A	233_V	0.707	1.00
126_G	226_N	0.706	1.00
81_D	84_A	0.704	1.00
120_V	147_L	0.702	1.00
185_S	188_F	0.700	1.00
160_A	189_D	0.696	1.00
154_P	177_I	0.691	1.00
187_L	190_P	0.689	1.00
119_A	144_I	0.688	1.00
62_D	87_E	0.686	1.00
17_I	92_P	0.683	1.00
239_A	247_D	0.682	1.00
211_L	215_E	0.682	1.00
51_E	262_S	0.681	1.00
43_V	66_T	0.679	1.00
99_L	103_A	0.675	1.00
52_K	175_E	0.674	1.00
211_L	253_F	0.672	1.00
176_G	222_S	0.671	1.00
113_Y	117_D	0.664	1.00
44_V	48_F	0.664	1.00
127_C	196_V	0.663	1.00
114_H	143_Q	0.663	1.00
120_V	248_C	0.661	1.00
189_D	192_F	0.661	1.00
48_F	175_E	0.660	1.00
46_E	65_N	0.656	1.00
127_C	160_A	0.655	1.00
72_M	76_I	0.653	1.00
141_R	192_F	0.651	1.00
91_V	134_M	0.650	1.00
151_A	193_V	0.649	1.00
195_D	233_V	0.649	1.00
141_R	191_E	0.646	1.00
125_A	133_L	0.645	1.00
152_V	197_T	0.642	1.00
44_V	53_Q	0.639	1.00
113_Y	116_L	0.638	1.00
123_F	147_L	0.637	1.00
208_M	221_S	0.637	1.00
113_Y	118_G	0.633	1.00
123_F	149_V	0.633	1.00
18_I	43_V	0.632	1.00
74_G	78_R	0.628	1.00
108_T	112_I	0.625	1.00
112_I	136_T	0.623	1.00
103_A	138_R	0.618	1.00
163_A	167_V	0.615	1.00
152_V	225_A	0.611	1.00
124_V	249_V	0.608	1.00
19_E	29_F	0.608	1.00
29_F	42_F	0.602	1.00
98_P	101_A	0.600	1.00
16_T	62_D	0.600	1.00
204_T	224_A	0.599	1.00
156_G	170_G	0.598	1.00
30_A	56_M	0.597	1.00
82_L	89_A	0.595	1.00
12_P	88_D	0.595	1.00
72_M	179_T	0.595	1.00
189_D	193_V	0.593	1.00
186_E	190_P	0.592	1.00
41_V	87_E	0.590	1.00
55_L	58_A	0.589	1.00
108_T	252_V	0.587	1.00
101_A	187_L	0.580	1.00
102_E	184_T	0.580	1.00
200_P	232_D	0.579	1.00
163_A	186_E	0.578	1.00
15_G	90_I	0.578	1.00
232_D	236_R	0.576	1.00
80_H	91_V	0.572	1.00
65_N	68_T	0.567	1.00
162_A	168_S	0.566	1.00
101_A	105_Y	0.563	1.00
240_G	248_C	0.562	1.00
208_M	259_R	0.561	1.00
127_C	130_A	0.558	1.00
26_G	42_F	0.557	1.00
21_T	42_F	0.556	1.00
103_A	107_T	0.553	1.00
20_P	79_A	0.552	1.00
223_A	226_N	0.552	1.00
248_C	251_T	0.552	1.00
20_P	92_P	0.552	1.00
110_P	142_D	0.551	1.00
55_L	218_L	0.551	1.00
67_P	74_G	0.549	1.00
17_I	40_A	0.549	1.00
168_S	171_E	0.549	1.00
184_T	188_F	0.547	1.00
136_T	149_V	0.544	1.00
64_V	82_L	0.544	1.00
134_M	138_R	0.542	1.00
20_P	76_I	0.542	1.00
153_E	159_Y	0.541	1.00
199_I	229_A	0.541	1.00
174_T	177_I	0.540	1.00
76_I	79_A	0.539	1.00
116_L	119_A	0.539	1.00
72_M	94_Q	0.536	1.00
199_I	225_A	0.535	1.00
76_I	91_V	0.530	1.00
174_T	222_S	0.529	1.00
134_M	185_S	0.528	1.00
148_H	247_D	0.527	1.00
211_L	217_Q	0.526	1.00
14_G	39_D	0.526	1.00
63_V	67_P	0.525	1.00
71_G	180_H	0.524	1.00
157_S	170_G	0.523	1.00
80_H	93_Q	0.522	0.99
15_G	38_I	0.521	0.99
155_E	158_M	0.518	0.99
83_A	87_E	0.518	0.99
141_R	149_V	0.518	0.99
75_A	79_A	0.517	0.99
136_T	139_F	0.517	0.99
102_E	188_F	0.516	0.99
188_F	193_V	0.516	0.99
16_T	86_R	0.516	0.99
229_A	232_D	0.515	0.99
153_E	161_S	0.514	0.99
120_V	144_I	0.514	0.99
156_G	171_E	0.512	0.99
210_R	227_S	0.512	0.99
206_A	209_Q	0.507	0.99
32_A	36_L	0.505	0.99
15_G	82_L	0.503	0.99
43_V	75_A	0.502	0.99
43_V	79_A	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
2pqmA	2	0.9562	100	0.219	Contact Map
1y7lA	2	0.9416	100	0.222	Contact Map
4ofxA	2	0.8577	100	0.222	Contact Map
3pc3A	2	0.9672	100	0.227	Contact Map
4aecA	2	0.9599	100	0.232	Contact Map
2v03A	2	0.8942	100	0.232	Contact Map
3tbhA	2	0.9526	100	0.235	Contact Map
3x44A	3	0.9489	100	0.237	Contact Map
4cooA	2	0.9672	100	0.24	Contact Map
4ql4A	2	0.8139	100	0.24	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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