Q97WU3 - SULSO - GREMLIN Contacts

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Q97WU3 - Acetyl-CoA synthetase (Acetate-CoA ligase) carboxy-end (AcsA-4)

UniProt:	Q97WU3	Sequences: METIHKYKPTIFFGVPTLYNAMLHVEDWKNYNLTSLRFCVSAGEPLPPLIYIKWKERYGVEILDGIGSTEALHIYISNIPSNSKPGCTGKPVPGYEVKIVDEDGNEVPPKTIGDLYVKGDSVAMFYWNDYESTRKNMMGSWFRTGDKFYRDDEGYYYYVGRSDDMVKTAGLWVSPIEVESALLSHPAVLEAAVVGIPDEVGLVRVVGFVTLKQGYSPSSELAEEIRNYLREKLDHYKVPKEIRFITEIPKTATGKIQRYKFRLGEIK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	267 (257)
Sequences:	68513 (47069)
Seq/√Len:	2936.1

ECOLI - ENTF ACSA AAS LCFA PRPE ENTE FADK CAIC PAAK MENE
BACSU - PPSE SRFAC LCFA ACSA LCFB YTCI YNGI DHBE YDAB PPSC PPSB DLTA MENE YHFT DHBF PKSJ SRFAA PPSA PPSD PKSN SRFAB
HALSA - Q9HRY8 Q9HQU8 Q9HSM3 Q9HQ43 Q9HQN8 Q9HNK0
SULSO - Q97WU3 Q97YK9 Q97UX8 Q97U22 Q97WQ0 Q97VT6 Q97UW7 Q97VU7 Q97WQ9 Q97UF6 Q97XW4 Q97WK0 Q97YI3 Q97V27 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
185_H	228_Y	3.177	1.00
129_D	132_S	2.864	1.00
149_Y	157_Y	2.787	1.00
96_E	118_K	2.781	1.00
114_D	143_R	2.649	1.00
167_K	172_W	2.456	1.00
151_D	157_Y	2.436	1.00
149_Y	159_V	2.431	1.00
257_Q	260_K	2.416	1.00
115_L	148_F	2.414	1.00
116_Y	143_R	2.393	1.00
100_V	116_Y	2.332	1.00
164_D	258_R	2.276	1.00
206_V	243_R	2.272	1.00
98_K	106_E	2.244	1.00
190_E	250_K	2.242	1.00
183_L	191_A	2.106	1.00
98_K	116_Y	2.000	1.00
130_Y	134_R	1.999	1.00
132_S	135_K	1.976	1.00
177_E	237_K	1.966	1.00
182_L	207_G	1.956	1.00
112_I	147_K	1.946	1.00
184_S	232_K	1.941	1.00
48_P	52_I	1.923	1.00
151_D	155_Y	1.904	1.00
194_V	208_F	1.893	1.00
87_C	157_Y	1.845	1.00
209_V	244_F	1.830	1.00
101_D	105_N	1.783	1.00
8_K	35_S	1.752	1.00
179_E	193_V	1.751	1.00
112_I	159_V	1.725	1.00
197_P	203_V	1.707	1.00
181_A	232_K	1.692	1.00
189_L	212_K	1.691	1.00
150_R	156_Y	1.680	1.00
147_K	162_S	1.654	1.00
228_Y	232_K	1.644	1.00
183_L	190_E	1.637	1.00
138_M	143_R	1.632	1.00
14_G	19_Y	1.577	1.00
260_K	263_L	1.574	1.00
75_Y	117_V	1.573	1.00
206_V	241_E	1.569	1.00
226_R	242_I	1.567	1.00
109_P	150_R	1.544	1.00
112_I	149_Y	1.527	1.00
208_F	245_I	1.527	1.00
90_K	155_Y	1.513	1.00
68_S	142_F	1.509	1.00
98_K	141_W	1.506	1.00
251_T	257_Q	1.499	1.00
5_H	31_Y	1.483	1.00
211_L	244_F	1.479	1.00
187_A	215_Y	1.473	1.00
230_R	238_V	1.473	1.00
193_V	207_G	1.469	1.00
210_T	248_I	1.466	1.00
187_A	224_E	1.465	1.00
78_N	155_Y	1.447	1.00
208_F	261_F	1.444	1.00
190_E	210_T	1.442	1.00
176_I	180_S	1.438	1.00
195_G	203_V	1.423	1.00
20_N	50_I	1.421	1.00
101_D	107_V	1.416	1.00
99_I	148_F	1.405	1.00
108_P	111_T	1.401	1.00
76_I	97_V	1.393	1.00
17_T	44_E	1.389	1.00
11_I	38_F	1.388	1.00
148_F	158_Y	1.376	1.00
204_R	240_K	1.376	1.00
131_E	135_K	1.374	1.00
84_K	155_Y	1.373	1.00
164_D	176_I	1.372	1.00
222_A	226_R	1.365	1.00
196_I	206_V	1.362	1.00
84_K	153_E	1.359	1.00
114_D	162_S	1.354	1.00
91_P	97_V	1.354	1.00
21_A	200_V	1.348	1.00
61_E	79_I	1.335	1.00
181_A	184_S	1.332	1.00
136_N	142_F	1.331	1.00
41_S	46_L	1.324	1.00
171_L	236_Y	1.320	1.00
166_V	175_P	1.317	1.00
123_A	137_M	1.315	1.00
189_L	210_T	1.293	1.00
19_Y	39_C	1.288	1.00
204_R	241_E	1.287	1.00
165_M	174_S	1.286	1.00
168_T	173_V	1.281	1.00
13_F	74_I	1.261	1.00
226_R	230_R	1.261	1.00
169_A	201_G	1.254	1.00
118_K	141_W	1.252	1.00
198_D	204_R	1.251	1.00
222_A	244_F	1.251	1.00
209_V	242_I	1.242	1.00
132_S	136_N	1.233	1.00
12_F	36_L	1.228	1.00
228_Y	231_E	1.226	1.00
230_R	235_H	1.220	1.00
23_L	53_K	1.210	1.00
78_N	87_C	1.209	1.00
116_Y	141_W	1.203	1.00
47_P	50_I	1.194	1.00
166_V	205_V	1.180	1.00
234_D	237_K	1.175	1.00
87_C	155_Y	1.165	1.00
49_L	53_K	1.163	1.00
116_Y	138_M	1.152	1.00
95_Y	121_S	1.148	1.00
168_T	240_K	1.141	1.00
38_F	63_L	1.138	1.00
229_L	238_V	1.134	1.00
227_N	231_E	1.130	1.00
88_T	158_Y	1.119	1.00
223_E	227_N	1.115	1.00
196_I	241_E	1.113	1.00
54_W	58_Y	1.106	1.00
179_E	258_R	1.104	1.00
119_G	122_V	1.103	1.00
118_K	139_G	1.102	1.00
97_V	117_V	1.101	1.00
102_E	162_S	1.095	1.00
208_F	262_R	1.093	1.00
65_G	74_I	1.092	1.00
227_N	230_R	1.076	1.00
20_N	47_P	1.071	1.00
52_I	56_E	1.059	1.00
19_Y	54_W	1.054	1.00
24_H	53_K	1.050	1.00
107_V	111_T	1.049	1.00
164_D	179_E	1.036	1.00
185_H	225_I	1.032	1.00
133_T	137_M	1.019	1.00
46_L	51_Y	1.015	1.00
235_H	238_V	1.010	1.00
110_K	152_D	1.002	1.00
4_I	35_S	0.996	1.00
117_V	144_T	0.995	1.00
245_I	248_I	0.992	1.00
20_N	24_H	0.985	1.00
192_A	248_I	0.984	1.00
15_V	18_L	0.982	1.00
102_E	114_D	0.982	1.00
10_T	37_R	0.981	1.00
13_F	65_G	0.980	1.00
40_V	65_G	0.970	1.00
210_T	247_E	0.963	1.00
53_K	57_R	0.963	1.00
224_E	227_N	0.956	1.00
222_A	242_I	0.956	1.00
207_G	242_I	0.953	1.00
71_A	122_V	0.951	1.00
185_H	224_E	0.951	1.00
248_I	256_I	0.948	1.00
38_F	61_E	0.946	1.00
63_L	79_I	0.937	1.00
122_V	142_F	0.934	1.00
71_A	75_Y	0.930	1.00
19_Y	41_S	0.927	1.00
192_A	256_I	0.916	1.00
224_E	228_Y	0.916	1.00
98_K	118_K	0.915	1.00
76_I	156_Y	0.910	1.00
214_G	217_P	0.908	1.00
104_G	116_Y	0.908	1.00
115_L	158_Y	0.901	1.00
97_V	156_Y	0.900	1.00
226_R	238_V	0.894	1.00
129_D	133_T	0.891	1.00
71_A	117_V	0.884	1.00
181_A	229_L	0.883	1.00
84_K	151_D	0.883	1.00
192_A	261_F	0.877	1.00
53_K	56_E	0.874	1.00
259_Y	263_L	0.869	1.00
99_I	107_V	0.862	1.00
68_S	71_A	0.850	1.00
30_N	33_L	0.850	1.00
131_E	134_R	0.844	1.00
241_E	244_F	0.843	1.00
118_K	140_S	0.840	1.00
101_D	111_T	0.840	1.00
20_N	53_K	0.836	1.00
196_I	204_R	0.835	1.00
229_L	233_L	0.834	1.00
194_V	262_R	0.826	1.00
104_G	138_M	0.826	1.00
5_H	32_N	0.826	1.00
176_I	179_E	0.823	1.00
66_I	75_Y	0.820	1.00
27_D	30_N	0.818	1.00
180_S	184_S	0.811	1.00
99_I	156_Y	0.808	1.00
192_A	258_R	0.807	1.00
218_S	224_E	0.807	1.00
211_L	215_Y	0.799	1.00
182_L	229_L	0.793	1.00
36_L	39_C	0.790	1.00
31_Y	34_T	0.788	1.00
68_S	144_T	0.779	1.00
147_K	160_G	0.775	1.00
197_P	202_L	0.772	1.00
168_T	201_G	0.772	1.00
168_T	205_V	0.771	1.00
20_N	49_L	0.769	1.00
181_A	233_L	0.768	1.00
112_I	162_S	0.765	1.00
184_S	228_Y	0.760	1.00
13_F	42_A	0.757	1.00
41_S	62_I	0.756	1.00
50_I	53_K	0.756	1.00
148_F	156_Y	0.754	1.00
143_R	162_S	0.754	1.00
109_P	152_D	0.753	1.00
14_G	18_L	0.751	1.00
222_A	241_E	0.749	1.00
100_V	106_E	0.749	1.00
51_Y	64_D	0.742	1.00
21_A	24_H	0.739	1.00
211_L	217_P	0.734	1.00
197_P	200_V	0.733	1.00
249_P	261_F	0.731	1.00
123_A	136_N	0.730	1.00
92_V	95_Y	0.727	1.00
166_V	195_G	0.726	1.00
55_K	61_E	0.725	1.00
180_S	183_L	0.724	1.00
26_E	30_N	0.724	1.00
110_K	149_Y	0.723	1.00
5_H	34_T	0.722	1.00
74_I	77_S	0.722	1.00
51_Y	55_K	0.720	1.00
168_T	195_G	0.718	1.00
223_E	226_R	0.717	1.00
198_D	201_G	0.716	1.00
49_L	52_I	0.713	1.00
97_V	115_L	0.713	1.00
106_E	116_Y	0.709	1.00
29_K	57_R	0.700	1.00
181_A	228_Y	0.695	1.00
42_A	74_I	0.693	1.00
189_L	211_L	0.692	1.00
65_G	77_S	0.691	1.00
130_Y	133_T	0.687	1.00
182_L	191_A	0.685	1.00
46_L	62_I	0.679	1.00
41_S	64_D	0.679	1.00
12_F	39_C	0.679	1.00
136_N	163_D	0.678	1.00
5_H	35_S	0.678	1.00
97_V	148_F	0.676	1.00
13_F	40_V	0.676	1.00
96_E	141_W	0.675	1.00
168_T	204_R	0.674	1.00
225_I	242_I	0.674	1.00
129_D	135_K	0.673	1.00
259_Y	262_R	0.673	1.00
138_M	141_W	0.670	1.00
42_A	65_G	0.668	1.00
23_L	50_I	0.665	1.00
11_I	37_R	0.665	1.00
75_Y	95_Y	0.659	1.00
190_E	248_I	0.659	1.00
39_C	54_W	0.658	1.00
175_P	258_R	0.657	1.00
198_D	202_L	0.657	1.00
208_F	243_R	0.655	1.00
99_I	113_G	0.654	1.00
78_N	81_S	0.654	1.00
197_P	201_G	0.652	1.00
28_W	31_Y	0.643	1.00
4_I	9_P	0.642	1.00
203_V	262_R	0.641	1.00
196_I	208_F	0.638	1.00
133_T	136_N	0.638	1.00
26_E	29_K	0.634	1.00
71_A	142_F	0.633	1.00
137_M	143_R	0.632	1.00
52_I	55_K	0.630	1.00
247_E	250_K	0.629	1.00
46_L	64_D	0.627	1.00
189_L	213_Q	0.622	1.00
160_G	175_P	0.620	1.00
226_R	229_L	0.620	1.00
187_A	211_L	0.619	1.00
88_T	148_F	0.618	1.00
179_E	183_L	0.618	1.00
196_I	263_L	0.618	1.00
68_S	73_H	0.617	1.00
145_G	163_D	0.617	1.00
41_S	54_W	0.616	1.00
100_V	143_R	0.616	1.00
185_H	188_V	0.615	1.00
160_G	176_I	0.614	1.00
54_W	62_I	0.614	1.00
188_V	191_A	0.614	1.00
32_N	35_S	0.612	1.00
187_A	212_K	0.612	1.00
39_C	60_V	0.609	1.00
165_M	172_W	0.609	1.00
45_P	158_Y	0.605	1.00
101_D	104_G	0.604	1.00
209_V	222_A	0.604	1.00
99_I	115_L	0.601	1.00
17_T	21_A	0.600	1.00
163_D	203_V	0.599	1.00
179_E	207_G	0.598	1.00
29_K	32_N	0.597	1.00
212_K	215_Y	0.596	1.00
52_I	85_P	0.595	1.00
64_D	86_G	0.595	1.00
213_Q	216_S	0.592	1.00
87_C	151_D	0.591	1.00
125_F	130_Y	0.590	1.00
106_E	150_R	0.588	1.00
96_E	139_G	0.587	1.00
115_L	156_Y	0.586	1.00
79_I	90_K	0.586	1.00
28_W	57_R	0.585	1.00
164_D	175_P	0.585	1.00
76_I	88_T	0.584	1.00
5_H	33_L	0.579	1.00
4_I	12_F	0.575	1.00
68_S	72_L	0.575	1.00
215_Y	218_S	0.574	1.00
72_L	75_Y	0.573	1.00
253_T	257_Q	0.573	1.00
11_I	40_V	0.571	1.00
10_T	35_S	0.571	1.00
13_F	41_S	0.570	1.00
188_V	209_V	0.569	1.00
42_A	73_H	0.569	1.00
91_P	95_Y	0.568	1.00
99_I	150_R	0.564	1.00
13_F	18_L	0.562	1.00
8_K	34_T	0.557	1.00
161_R	255_K	0.555	1.00
14_G	39_C	0.555	1.00
64_D	88_T	0.554	1.00
233_L	237_K	0.553	1.00
48_P	86_G	0.552	1.00
191_A	229_L	0.551	1.00
114_D	147_K	0.544	1.00
217_P	222_A	0.544	1.00
178_V	205_V	0.542	1.00
190_E	247_E	0.541	1.00
111_T	149_Y	0.540	1.00
16_P	44_E	0.537	1.00
86_G	157_Y	0.536	1.00
26_E	57_R	0.534	1.00
100_V	104_G	0.532	1.00
104_G	143_R	0.532	1.00
17_T	20_N	0.531	1.00
168_T	203_V	0.530	1.00
51_Y	86_G	0.530	1.00
148_F	159_V	0.530	1.00
47_P	183_L	0.528	1.00
98_K	150_R	0.526	1.00
74_I	92_V	0.526	1.00
27_D	31_Y	0.524	1.00
199_E	202_L	0.521	1.00
85_P	157_Y	0.521	1.00
91_P	150_R	0.520	1.00
75_Y	121_S	0.518	1.00
100_V	141_W	0.518	1.00
194_V	258_R	0.518	1.00
175_P	193_V	0.514	1.00
68_S	75_Y	0.510	1.00
166_V	203_V	0.509	1.00
65_G	73_H	0.509	1.00
217_P	244_F	0.508	1.00
4_I	33_L	0.507	1.00
187_A	228_Y	0.505	1.00
209_V	225_I	0.503	1.00
179_E	192_A	0.502	1.00
4_I	8_K	0.502	1.00
107_V	110_K	0.501	1.00
71_A	74_I	0.500	1.00
163_D	172_W	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	0.9326	100	0.053	Contact Map
3tsyA	2	0.6142	100	0.09	Contact Map
3c5eA	1	0.9963	100	0.091	Contact Map
2v7bA	1	0.9663	100	0.095	Contact Map
3ni2A	1	0.9775	100	0.102	Contact Map
1pg4A	1	1	100	0.104	Contact Map
2d1sA	1	0.9888	100	0.107	Contact Map
1mdbA	1	0.985	100	0.108	Contact Map
3rixA	1	0.5955	100	0.112	Contact Map
3g7sA	2	0.8502	100	0.113	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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