ATP6 - ECOLI - GREMLIN Contacts

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ATP6 - ATP synthase subunit a

UniProt:	P0AB98	Sequences: MASENMTPQDYIGHHLNNLQLDLRTFSLVDPQNPPATFWTINIDSMFFSVVLGLLFLVLFRSVAKKATSGVPGKFQTAIELVIGFVNGSVKDMYHGKSKLIAPLALTIFVWVFLMNLMDLLPIDLLPYIAEHVLGLPALRVVPSADVNVTLSMALGVFILILFYSIKMKGIGGFTKELTLQPFNHWAFIPVNLILEGVSLLSKPVSLGLRLFGNMYAGELIFILIAGLLPWWSQWILNVPWAIFHILIITLQAFIFMVLTIVYLSMASEEH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10099
Length:	271 (215)
Sequences:	5417 (2823)
Seq/√Len:	192.5

ECOLI - ATP6
BACSU - ATP6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
144_S	149_V	3.651	1.00
104_L	157_V	3.633	1.00
113_F	250_T	3.336	1.00
179_T	193_L	3.031	1.00
105_A	257_M	2.732	1.00
162_L	200_L	2.628	1.00
74_K	77_T	2.546	1.00
108_I	112_V	2.498	1.00
196_E	199_S	2.431	1.00
51_V	54_L	2.400	1.00
151_L	208_G	2.289	1.00
115_M	143_P	2.140	1.00
187_A	190_P	2.080	1.00
58_V	62_S	2.059	1.00
142_V	215_M	2.047	1.00
173_G	176_K	1.984	1.00
109_F	253_A	1.900	1.00
193_L	197_G	1.855	1.00
119_D	142_V	1.853	1.00
190_P	194_I	1.834	1.00
53_G	115_M	1.800	1.00
157_V	260_T	1.784	1.00
37_T	40_T	1.780	1.00
51_V	55_L	1.776	1.00
163_F	167_K	1.776	1.00
67_A	70_G	1.734	1.00
198_V	202_S	1.728	1.00
113_F	117_L	1.720	1.00
105_A	261_I	1.712	1.00
186_W	189_I	1.705	1.00
88_G	92_D	1.675	1.00
162_L	174_F	1.672	1.00
191_V	194_I	1.659	1.00
253_A	257_M	1.611	1.00
209_L	213_G	1.603	1.00
151_L	155_L	1.595	1.00
84_G	88_G	1.583	1.00
101_I	164_Y	1.583	1.00
76_Q	80_E	1.562	1.00
45_S	149_V	1.554	1.00
151_L	154_A	1.539	1.00
36_A	40_T	1.536	1.00
60_F	64_A	1.535	1.00
147_V	208_G	1.531	1.00
77_T	81_L	1.523	1.00
82_V	110_V	1.502	1.00
150_T	212_F	1.496	1.00
205_V	208_G	1.488	1.00
87_N	102_A	1.475	1.00
72_P	76_Q	1.454	1.00
39_W	42_N	1.449	1.00
169_K	177_E	1.445	1.00
65_K	68_T	1.440	1.00
50_V	53_G	1.436	1.00
161_I	264_L	1.432	1.00
218_G	245_H	1.430	1.00
61_R	65_K	1.429	1.00
184_N	192_N	1.412	1.00
50_V	54_L	1.407	1.00
56_F	114_L	1.396	1.00
219_E	245_H	1.375	1.00
43_I	47_F	1.370	1.00
161_I	263_Y	1.367	1.00
179_T	189_I	1.361	1.00
53_G	118_M	1.359	1.00
190_P	193_L	1.355	1.00
147_V	151_L	1.343	1.00
125_L	146_D	1.342	1.00
75_F	79_I	1.342	1.00
91_K	99_K	1.335	1.00
117_L	246_I	1.315	1.00
184_N	189_I	1.314	1.00
117_L	249_I	1.308	1.00
77_T	84_G	1.287	1.00
175_T	179_T	1.283	1.00
225_I	241_W	1.278	1.00
159_I	163_F	1.271	1.00
176_K	181_Q	1.262	1.00
206_S	263_Y	1.236	1.00
171_I	175_T	1.217	1.00
150_T	208_G	1.211	1.00
112_V	256_F	1.205	1.00
251_L	255_I	1.198	1.00
42_N	45_S	1.190	1.00
221_I	241_W	1.183	1.00
91_K	98_S	1.175	1.00
72_P	80_E	1.170	1.00
120_L	246_I	1.166	1.00
166_I	175_T	1.152	1.00
188_F	192_N	1.152	1.00
189_I	193_L	1.151	1.00
54_L	58_V	1.151	1.00
104_L	260_T	1.147	1.00
59_L	63_V	1.146	1.00
91_K	96_G	1.140	1.00
196_E	200_L	1.120	1.00
84_G	87_N	1.118	1.00
147_V	209_L	1.113	1.00
78_A	82_V	1.111	1.00
241_W	244_F	1.106	1.00
62_S	65_K	1.102	1.00
45_S	49_S	1.089	1.00
216_Y	220_L	1.088	1.00
155_L	159_I	1.086	1.00
102_A	106_L	1.082	1.00
112_V	153_M	1.070	1.00
117_L	250_T	1.059	1.00
158_F	204_P	1.042	1.00
85_F	88_G	1.038	1.00
87_N	91_K	1.034	1.00
36_A	39_W	1.023	1.00
57_L	61_R	1.018	1.00
55_L	59_L	1.018	1.00
104_L	156_G	1.017	1.00
91_K	102_A	1.016	1.00
186_W	190_P	1.014	1.00
48_F	52_L	1.013	1.00
205_V	209_L	1.012	1.00
62_S	66_K	1.006	1.00
149_V	152_S	1.006	1.00
182_P	194_I	0.992	0.99
93_M	258_V	0.989	0.99
63_V	75_F	0.988	0.99
145_A	219_E	0.968	0.99
154_A	208_G	0.966	0.99
203_K	266_M	0.956	0.99
43_I	48_F	0.944	0.99
183_F	190_P	0.933	0.99
142_V	219_E	0.933	0.99
66_K	69_S	0.930	0.99
61_R	64_A	0.926	0.99
169_K	173_G	0.921	0.99
90_V	93_M	0.919	0.99
111_W	115_M	0.916	0.99
74_K	78_A	0.915	0.99
41_I	46_M	0.912	0.99
46_M	50_V	0.911	0.99
153_M	211_L	0.910	0.99
87_N	99_K	0.909	0.99
145_A	215_M	0.909	0.99
105_A	260_T	0.909	0.99
186_W	194_I	0.901	0.99
46_M	146_D	0.897	0.99
112_V	211_L	0.892	0.99
81_L	84_G	0.888	0.99
201_L	204_P	0.888	0.99
64_A	79_I	0.886	0.99
199_S	203_K	0.881	0.99
120_L	242_A	0.879	0.99
69_S	73_G	0.876	0.99
94_Y	261_I	0.874	0.99
223_I	228_L	0.874	0.99
194_I	197_G	0.874	0.99
166_I	174_F	0.873	0.99
63_V	66_K	0.872	0.99
240_P	243_I	0.871	0.99
57_L	114_L	0.866	0.99
38_F	43_I	0.861	0.99
218_G	248_I	0.860	0.99
52_L	56_F	0.858	0.99
158_F	200_L	0.857	0.99
86_V	109_F	0.854	0.98
197_G	201_L	0.853	0.98
89_S	258_V	0.851	0.98
162_L	166_I	0.834	0.98
108_I	157_V	0.830	0.98
240_P	244_F	0.822	0.98
67_A	71_V	0.816	0.98
214_N	248_I	0.814	0.98
189_I	194_I	0.813	0.98
165_S	174_F	0.807	0.98
94_Y	98_S	0.805	0.98
113_F	253_A	0.803	0.98
168_M	268_S	0.799	0.98
148_N	152_S	0.799	0.98
49_S	53_G	0.799	0.98
209_L	254_F	0.791	0.97
38_F	42_N	0.786	0.97
207_L	214_N	0.778	0.97
179_T	190_P	0.769	0.97
117_L	121_L	0.766	0.97
202_S	206_S	0.763	0.97
245_H	248_I	0.762	0.97
64_A	75_F	0.758	0.97
97_K	100_L	0.753	0.97
181_Q	193_L	0.745	0.96
164_Y	168_M	0.745	0.96
142_V	245_H	0.745	0.96
110_V	114_L	0.743	0.96
230_P	235_W	0.743	0.96
78_A	81_L	0.743	0.96
104_L	108_I	0.742	0.96
202_S	205_V	0.740	0.96
225_I	237_L	0.731	0.96
121_L	124_D	0.730	0.96
183_F	191_V	0.729	0.96
43_I	51_V	0.727	0.96
96_G	99_K	0.720	0.96
206_S	242_A	0.719	0.96
100_L	168_M	0.719	0.96
115_M	144_S	0.719	0.96
207_L	260_T	0.716	0.96
212_F	216_Y	0.715	0.95
86_V	106_L	0.715	0.95
181_Q	196_E	0.712	0.95
206_S	222_F	0.707	0.95
142_V	249_I	0.704	0.95
228_L	232_W	0.702	0.95
161_I	207_L	0.701	0.95
241_W	245_H	0.700	0.95
158_F	199_S	0.697	0.95
40_T	43_I	0.694	0.95
52_L	55_L	0.694	0.95
65_K	69_S	0.690	0.95
109_F	113_F	0.690	0.95
160_L	264_L	0.675	0.94
40_T	44_D	0.675	0.94
203_K	207_L	0.671	0.94
211_L	214_N	0.670	0.94
56_F	59_L	0.670	0.94
178_L	181_Q	0.668	0.94
117_L	120_L	0.665	0.93
101_I	160_L	0.664	0.93
95_H	258_V	0.663	0.93
122_P	245_H	0.662	0.93
224_L	228_L	0.660	0.93
160_L	164_Y	0.660	0.93
101_I	264_L	0.656	0.93
225_I	238_N	0.656	0.93
207_L	263_Y	0.655	0.93
51_V	65_K	0.655	0.93
64_A	67_A	0.654	0.93
232_W	239_V	0.653	0.93
222_F	226_A	0.648	0.92
95_H	98_S	0.646	0.92
99_K	121_L	0.640	0.92
83_I	106_L	0.637	0.92
181_Q	188_F	0.637	0.92
178_L	200_L	0.635	0.92
262_V	266_M	0.634	0.92
54_L	61_R	0.632	0.92
157_V	161_I	0.628	0.91
234_Q	237_L	0.621	0.91
148_N	217_A	0.617	0.91
215_M	245_H	0.616	0.90
154_A	207_L	0.614	0.90
185_H	189_I	0.612	0.90
120_L	249_I	0.612	0.90
60_F	79_I	0.610	0.90
235_W	238_N	0.603	0.90
37_T	41_I	0.599	0.89
73_G	76_Q	0.599	0.89
116_N	119_D	0.597	0.89
76_Q	263_Y	0.595	0.89
221_I	238_N	0.594	0.89
195_L	198_V	0.592	0.89
41_I	45_S	0.592	0.89
177_E	196_E	0.591	0.89
65_K	70_G	0.591	0.89
58_V	65_K	0.587	0.88
44_D	47_F	0.585	0.88
109_F	218_G	0.580	0.88
192_N	195_L	0.580	0.88
154_A	204_P	0.580	0.88
258_V	261_I	0.578	0.88
48_F	51_V	0.576	0.87
111_W	149_V	0.575	0.87
237_L	240_P	0.574	0.87
229_L	235_W	0.574	0.87
187_A	194_I	0.569	0.87
169_K	267_A	0.569	0.87
185_H	190_P	0.565	0.86
148_N	206_S	0.565	0.86
228_L	233_S	0.564	0.86
158_F	162_L	0.562	0.86
89_S	92_D	0.560	0.86
250_T	253_A	0.556	0.85
198_V	258_V	0.555	0.85
217_A	248_I	0.550	0.85
244_F	251_L	0.546	0.84
142_V	145_A	0.544	0.84
46_M	53_G	0.544	0.84
234_Q	238_N	0.543	0.84
63_V	195_L	0.542	0.84
54_L	68_T	0.540	0.84
101_I	254_F	0.540	0.84
215_M	218_G	0.540	0.84
83_I	102_A	0.540	0.84
66_K	80_E	0.536	0.83
158_F	207_L	0.535	0.83
231_W	235_W	0.533	0.83
120_L	215_M	0.533	0.83
223_I	227_G	0.532	0.83
185_H	188_F	0.531	0.83
112_V	116_N	0.530	0.83
47_F	51_V	0.529	0.83
109_F	112_V	0.529	0.83
86_V	90_V	0.527	0.82
170_G	173_G	0.526	0.82
119_D	219_E	0.525	0.82
219_E	248_I	0.524	0.82
201_L	205_V	0.524	0.82
213_G	217_A	0.523	0.82
88_G	91_K	0.522	0.82
244_F	255_I	0.522	0.82
53_G	143_P	0.522	0.82
162_L	165_S	0.521	0.82
248_I	255_I	0.520	0.81
49_S	52_L	0.516	0.81
158_F	161_I	0.516	0.81
60_F	65_K	0.514	0.81
244_F	247_L	0.514	0.81
255_I	266_M	0.511	0.80
224_L	244_F	0.511	0.80
214_N	249_I	0.508	0.80
108_I	260_T	0.507	0.80
120_L	150_T	0.505	0.80
229_L	234_Q	0.503	0.79
214_N	251_L	0.503	0.79
247_L	251_L	0.502	0.79
125_L	195_L	0.502	0.79
165_S	267_A	0.500	0.79

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
1c17M	1	0.524	100	0.391	Contact Map
1oedC	1	0.1292	6.6	0.967	Contact Map
3vsqA	3	0.214	5.8	0.968	Contact Map
1oedE	1	0.1292	4.9	0.969	Contact Map
1oedB	1	0.1292	4.9	0.969	Contact Map
2bg9C	1	0.2472	4.6	0.97	Contact Map
2bg9E	1	0.2435	2.7	0.973	Contact Map
4ev6A	3	0.5166	2.6	0.973	Contact Map
2rddB	1	0.1365	2.4	0.974	Contact Map
4ioxA	1	0.1882	2.2	0.974	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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