Q97YI3 - SULSO - GREMLIN Contacts

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Q97YI3 - Acetyl-CoA synthetase (Acetate-CoA ligase) carboxy-end. (AcsA-2)

UniProt:	Q97YI3	Sequences: MRFHPPTALRMIRKEVSSPRRDYDLRLRAVSSAGEAVGGDLIEWAMKELSPNVNEFYGCTEANLVTVNNSMWRKIGSVGKPTPGHEIAVIDEKGNEVINQVGEIAVRIEDPVLFLGYYKNPEATAKKFRGHWFLMGDLGLMDQNGYIWFKGRGDDVIKVSGYRLGPEEIESIILQHPAVQEVAVIGKPDRLRGNVIKAFIVLKDGYSPSDSLVEEIQQFVKSRLALYAYPREIEFVKELPRTETGKLKRFELRKREEEKS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	260 (242)
Sequences:	68090 (46658)
Seq/√Len:	2999.3

ECOLI - AAS ACSA ENTF LCFA PRPE ENTE FADK CAIC MENE PAAK
BACSU - SRFAC PPSE LCFA YTCI ACSA LCFB YNGI YDAB DHBE PPSB PPSC MENE DLTA YHFT DHBF PPSA PKSJ SRFAA
HALSA - Q9HRY8 Q9HQU8 Q9HSM3 Q9HQ43 Q9HQN8 Q9HNK0
SULSO - Q97YI3 Q97UX8 Q97WQ0 Q97WU3 Q97U22 Q97YK9 Q97UW7 Q97VT6 Q97VU7 Q97WK0 Q97UF6 Q97WQ9 Q97V27 Q97XW4 Q97WS5 Q980E4 Q97XW5 Q97VJ6 Q97X52

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
176_H	219_F	3.195	1.00
120_N	123_A	2.883	1.00
86_E	107_R	2.838	1.00
140_L	148_W	2.796	1.00
103_E	134_L	2.653	1.00
158_K	163_R	2.447	1.00
248_K	251_E	2.440	1.00
142_D	148_W	2.419	1.00
140_L	150_K	2.416	1.00
105_A	134_L	2.408	1.00
104_I	139_G	2.399	1.00
90_I	105_A	2.310	1.00
197_K	234_E	2.294	1.00
155_D	249_R	2.280	1.00
181_E	241_R	2.279	1.00
174_L	182_V	2.233	1.00
123_A	126_K	2.043	1.00
88_A	96_E	2.043	1.00
173_I	198_A	2.035	1.00
142_D	146_Y	2.019	1.00
121_P	125_A	1.990	1.00
91_D	95_N	1.978	1.00
88_A	105_A	1.975	1.00
101_V	138_L	1.960	1.00
39_G	43_E	1.935	1.00
175_Q	223_R	1.931	1.00
168_E	228_A	1.931	1.00
185_I	199_F	1.884	1.00
200_I	235_F	1.857	1.00
77_S	148_W	1.810	1.00
170_E	184_V	1.789	1.00
138_L	153_G	1.752	1.00
141_M	147_I	1.750	1.00
101_V	150_K	1.730	1.00
251_E	254_K	1.729	1.00
172_I	223_R	1.715	1.00
174_L	181_E	1.710	1.00
180_Q	203_K	1.704	1.00
217_Q	233_I	1.653	1.00
188_P	194_N	1.647	1.00
219_F	223_R	1.590	1.00
66_T	106_V	1.581	1.00
80_K	146_Y	1.552	1.00
101_V	140_L	1.542	1.00
88_A	132_W	1.537	1.00
59_C	133_F	1.528	1.00
197_K	232_E	1.525	1.00
242_T	248_K	1.520	1.00
178_A	206_Y	1.515	1.00
199_F	236_V	1.514	1.00
202_L	235_F	1.500	1.00
199_F	252_L	1.491	1.00
201_V	239_L	1.486	1.00
184_V	198_A	1.476	1.00
178_A	215_E	1.466	1.00
181_E	201_V	1.462	1.00
167_E	171_S	1.459	1.00
221_K	229_Y	1.444	1.00
103_E	153_G	1.426	1.00
89_V	139_G	1.418	1.00
67_V	87_I	1.417	1.00
74_K	146_Y	1.412	1.00
69_N	146_Y	1.405	1.00
139_G	149_F	1.405	1.00
186_G	194_N	1.404	1.00
122_E	126_K	1.393	1.00
81_P	87_I	1.387	1.00
195_V	231_R	1.384	1.00
155_D	167_E	1.375	1.00
74_K	144_N	1.361	1.00
187_K	197_K	1.360	1.00
172_I	175_Q	1.359	1.00
157_I	166_P	1.354	1.00
162_Y	227_Y	1.343	1.00
127_K	133_F	1.339	1.00
213_V	217_Q	1.336	1.00
195_V	232_E	1.333	1.00
114_F	128_F	1.323	1.00
91_D	97_V	1.306	1.00
129_R	134_L	1.300	1.00
180_Q	201_V	1.292	1.00
32_S	37_V	1.289	1.00
160_S	192_R	1.289	1.00
107_R	132_W	1.288	1.00
156_V	165_G	1.280	1.00
11_M	191_L	1.272	1.00
221_K	226_L	1.269	1.00
159_V	164_L	1.265	1.00
213_V	235_F	1.263	1.00
56_F	65_V	1.263	1.00
38_G	41_L	1.259	1.00
200_I	233_I	1.259	1.00
123_A	127_K	1.253	1.00
9_L	30_V	1.240	1.00
29_A	54_N	1.229	1.00
189_D	195_V	1.226	1.00
69_N	77_S	1.206	1.00
105_A	132_W	1.195	1.00
225_A	228_A	1.192	1.00
157_I	196_I	1.190	1.00
219_F	222_S	1.188	1.00
236_V	255_R	1.178	1.00
251_E	255_R	1.165	1.00
78_V	149_F	1.164	1.00
85_H	112_V	1.162	1.00
220_V	229_Y	1.160	1.00
159_V	231_R	1.156	1.00
214_E	218_Q	1.155	1.00
45_A	49_L	1.150	1.00
87_I	106_V	1.149	1.00
218_Q	222_S	1.148	1.00
10_R	41_L	1.144	1.00
31_S	56_F	1.138	1.00
77_S	146_Y	1.137	1.00
170_E	249_R	1.127	1.00
187_K	232_E	1.113	1.00
40_D	44_W	1.112	1.00
92_E	153_G	1.105	1.00
43_E	47_K	1.102	1.00
107_R	130_G	1.095	1.00
124_T	128_F	1.094	1.00
110_D	113_L	1.082	1.00
217_Q	221_K	1.073	1.00
9_L	45_A	1.071	1.00
37_V	42_I	1.063	1.00
155_D	170_E	1.054	1.00
226_L	229_Y	1.052	1.00
176_H	216_I	1.039	1.00
14_K	44_W	1.022	1.00
7_T	35_E	1.014	1.00
183_A	239_L	0.999	1.00
13_R	44_W	0.998	1.00
27_L	30_V	0.997	1.00
250_F	254_K	0.995	1.00
236_V	239_L	0.989	1.00
218_Q	221_K	0.989	1.00
99_N	143_Q	0.987	1.00
215_E	218_Q	0.984	1.00
106_V	135_M	0.983	1.00
29_A	52_N	0.979	1.00
213_V	233_I	0.975	1.00
183_A	252_L	0.972	1.00
62_A	113_L	0.970	1.00
198_A	233_I	0.969	1.00
176_H	215_E	0.967	1.00
44_W	48_E	0.965	1.00
215_E	219_F	0.961	1.00
62_A	66_T	0.956	1.00
239_L	247_L	0.947	1.00
88_A	107_R	0.944	1.00
92_E	103_E	0.937	1.00
87_I	147_I	0.932	1.00
183_A	247_L	0.931	1.00
10_R	14_K	0.928	1.00
104_I	149_F	0.924	1.00
201_V	238_E	0.922	1.00
67_V	147_I	0.921	1.00
94_G	105_A	0.918	1.00
44_W	47_K	0.916	1.00
10_R	38_G	0.916	1.00
113_L	133_F	0.908	1.00
62_A	106_V	0.903	1.00
217_Q	229_Y	0.897	1.00
232_E	235_F	0.893	1.00
172_I	220_V	0.892	1.00
97_V	100_Q	0.889	1.00
220_V	224_L	0.872	1.00
32_S	53_V	0.864	1.00
120_N	124_T	0.864	1.00
59_C	62_A	0.862	1.00
74_K	142_D	0.858	1.00
92_E	95_N	0.854	1.00
9_L	32_S	0.837	1.00
199_F	253_R	0.833	1.00
209_S	215_E	0.832	1.00
122_E	125_A	0.831	1.00
183_A	249_R	0.829	1.00
57_Y	66_T	0.829	1.00
187_K	195_V	0.824	1.00
91_D	100_Q	0.820	1.00
171_S	175_Q	0.818	1.00
89_V	147_I	0.816	1.00
167_E	170_E	0.816	1.00
202_L	208_P	0.813	1.00
159_V	192_R	0.812	1.00
89_V	97_V	0.793	1.00
175_Q	219_F	0.791	1.00
107_R	131_H	0.788	1.00
105_A	129_R	0.786	1.00
185_I	253_R	0.786	1.00
202_L	206_Y	0.785	1.00
101_V	153_G	0.782	1.00
33_A	65_V	0.781	1.00
59_C	135_M	0.780	1.00
159_V	196_I	0.772	1.00
91_D	94_G	0.771	1.00
82_T	85_H	0.769	1.00
205_G	208_P	0.767	1.00
41_L	44_W	0.766	1.00
240_P	252_L	0.763	1.00
87_I	104_I	0.761	1.00
138_L	151_G	0.761	1.00
173_I	220_V	0.758	1.00
213_V	232_E	0.758	1.00
114_F	127_K	0.757	1.00
10_R	44_W	0.753	1.00
172_I	224_L	0.749	1.00
134_L	153_G	0.749	1.00
42_I	55_E	0.748	1.00
188_P	193_G	0.748	1.00
30_V	45_A	0.746	1.00
139_G	147_I	0.745	1.00
70_S	73_R	0.742	1.00
157_I	186_G	0.738	1.00
159_V	186_G	0.737	1.00
216_I	233_I	0.735	1.00
37_V	53_V	0.732	1.00
189_D	192_R	0.730	1.00
99_N	140_L	0.729	1.00
42_I	46_M	0.727	1.00
11_M	14_K	0.726	1.00
171_S	174_L	0.721	1.00
86_E	132_W	0.715	1.00
33_A	56_F	0.714	1.00
17_S	44_W	0.710	1.00
121_P	124_T	0.710	1.00
65_V	68_N	0.708	1.00
90_I	96_E	0.703	1.00
180_Q	202_L	0.702	1.00
56_F	68_N	0.700	1.00
46_M	52_N	0.700	1.00
214_E	217_Q	0.699	1.00
173_I	182_V	0.698	1.00
40_D	43_E	0.696	1.00
176_H	179_V	0.691	1.00
172_I	219_F	0.686	1.00
21_R	24_D	0.685	1.00
87_I	139_G	0.684	1.00
234_E	255_R	0.684	1.00
89_V	102_G	0.679	1.00
181_E	239_L	0.678	1.00
78_V	139_G	0.671	1.00
194_N	253_R	0.668	1.00
45_A	53_V	0.668	1.00
21_R	48_E	0.667	1.00
32_S	55_E	0.667	1.00
96_E	105_A	0.666	1.00
66_T	85_H	0.666	1.00
128_F	134_L	0.666	1.00
120_N	126_K	0.666	1.00
188_P	192_R	0.664	1.00
166_P	249_R	0.662	1.00
250_F	253_R	0.659	1.00
55_E	76_G	0.658	1.00
224_L	228_A	0.655	1.00
217_Q	220_V	0.652	1.00
32_S	45_A	0.651	1.00
30_V	51_P	0.651	1.00
159_V	195_V	0.650	1.00
199_F	234_E	0.647	1.00
127_K	154_D	0.647	1.00
17_S	22_D	0.641	1.00
124_T	127_K	0.639	1.00
59_C	64_L	0.637	1.00
200_I	213_V	0.636	1.00
62_A	133_F	0.635	1.00
37_V	55_E	0.634	1.00
179_V	182_V	0.634	1.00
180_Q	204_D	0.633	1.00
151_G	167_E	0.632	1.00
206_Y	209_S	0.629	1.00
63_N	66_T	0.627	1.00
188_P	191_L	0.626	1.00
43_E	46_M	0.625	1.00
89_V	104_I	0.621	1.00
178_A	202_L	0.621	1.00
151_G	166_P	0.619	1.00
170_E	198_A	0.618	1.00
16_V	22_D	0.618	1.00
136_G	154_D	0.615	1.00
187_K	199_F	0.613	1.00
36_A	149_F	0.613	1.00
203_K	206_Y	0.612	1.00
178_A	203_K	0.611	1.00
189_D	193_G	0.609	1.00
7_T	11_M	0.609	1.00
90_I	134_L	0.607	1.00
170_E	174_L	0.606	1.00
43_E	75_I	0.606	1.00
155_D	166_P	0.605	1.00
156_V	163_R	0.604	1.00
17_S	48_E	0.604	1.00
104_I	147_I	0.602	1.00
42_I	76_G	0.601	1.00
7_T	10_R	0.600	1.00
89_V	141_M	0.597	1.00
10_R	40_D	0.595	1.00
33_A	64_L	0.595	1.00
59_C	63_N	0.592	1.00
86_E	130_G	0.592	1.00
240_P	255_R	0.590	1.00
179_V	200_I	0.588	1.00
16_V	48_E	0.587	1.00
67_V	78_V	0.584	1.00
152_R	246_K	0.584	1.00
55_E	78_V	0.584	1.00
187_K	254_K	0.580	1.00
85_H	110_D	0.579	1.00
208_P	213_V	0.570	1.00
62_A	65_V	0.569	1.00
244_T	248_K	0.567	1.00
56_F	64_L	0.566	1.00
116_G	121_P	0.564	1.00
8_A	11_M	0.563	1.00
100_Q	140_L	0.556	1.00
38_G	174_L	0.553	1.00
32_S	56_F	0.553	1.00
199_F	255_R	0.551	1.00
166_P	184_V	0.550	1.00
200_I	216_I	0.550	1.00
65_V	82_T	0.546	1.00
8_A	65_V	0.546	1.00
107_R	110_D	0.544	1.00
81_P	85_H	0.544	1.00
100_Q	141_M	0.543	1.00
96_E	141_M	0.542	1.00
33_A	63_N	0.540	1.00
103_E	138_L	0.540	1.00
39_G	76_G	0.537	1.00
90_I	132_W	0.536	1.00
77_S	142_D	0.535	1.00
182_V	220_V	0.534	1.00
54_N	68_N	0.534	1.00
169_I	196_I	0.533	1.00
143_Q	148_W	0.532	1.00
154_D	194_N	0.530	1.00
173_I	216_I	0.523	1.00
139_G	150_K	0.522	1.00
47_K	50_S	0.522	1.00
46_M	50_S	0.520	1.00
158_K	164_L	0.519	1.00
178_A	219_F	0.518	1.00
66_T	87_I	0.518	1.00
66_T	112_V	0.517	1.00
81_P	141_M	0.516	1.00
88_A	141_M	0.516	1.00
205_G	209_S	0.516	1.00
75_I	148_W	0.516	1.00
11_M	15_E	0.515	1.00
76_G	148_W	0.515	1.00
159_V	194_N	0.515	1.00
185_I	249_R	0.515	1.00
59_C	66_T	0.512	1.00
221_K	230_P	0.510	1.00
64_L	68_N	0.510	1.00
42_I	53_V	0.509	1.00
158_K	165_G	0.508	1.00
46_M	73_R	0.508	1.00
204_D	207_S	0.506	1.00
37_V	41_L	0.504	1.00
128_F	131_H	0.502	1.00
129_R	132_W	0.502	1.00
90_I	94_G	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
3etcA	2	0.9154	100	0.086	Contact Map
3tsyA	2	0.5808	100	0.122	Contact Map
1pg4A	1	0.9962	100	0.123	Contact Map
3c5eA	1	0.9769	100	0.128	Contact Map
4wd1A	1	0.9731	100	0.133	Contact Map
1mdbA	1	0.9692	100	0.138	Contact Map
3ni2A	1	0.9538	100	0.138	Contact Map
1v25A	2	0.8654	100	0.141	Contact Map
1ry2A	1	0.9692	100	0.141	Contact Map
3g7sA	2	0.8308	100	0.142	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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