ATPZ - BACSU - GREMLIN Contacts

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ATPZ - ATP synthase protein I

UniProt:	P37816	Sequences: MDDPKLTFSRQRKYLLFILAVYVLGYGLTAYKTVFLGLILGTVFSLFNFLLLVRRMNAFDRAVEKGKSIRSLGSAARWCNAILAVAVAYKNPEYFHMASTVIGLMTIYPVIMIDSFIQLKRSSMEER	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	127 (121)
Sequences:	182 (153)
Seq/√Len:	13.9

BACSU - ATPZ

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
40_L	95_F	4.934	1.00
45_S	107_I	3.945	1.00
37_G	99_S	3.327	0.99
36_L	100_T	3.066	0.98
106_T	110_V	2.880	0.96
82_I	86_A	2.600	0.94
34_V	87_V	2.555	0.93
29_T	69_I	2.507	0.92
23_V	27_G	2.168	0.85
84_A	100_T	2.104	0.84
45_S	49_F	2.078	0.83
23_V	28_L	1.996	0.80
44_F	60_D	1.907	0.77
40_L	43_V	1.863	0.75
22_Y	88_A	1.798	0.72
22_Y	42_T	1.760	0.71
24_L	28_L	1.678	0.67
96_H	99_S	1.667	0.66
29_T	108_Y	1.664	0.66
34_V	99_S	1.599	0.63
83_L	115_S	1.588	0.63
22_Y	46_L	1.576	0.62
31_Y	35_F	1.562	0.61
64_E	85_V	1.448	0.55
22_Y	92_P	1.419	0.54
25_G	50_L	1.367	0.51
38_L	103_G	1.362	0.51
25_G	35_F	1.314	0.48
60_D	83_L	1.310	0.48
89_Y	102_I	1.307	0.48
66_G	71_S	1.306	0.48
9_S	102_I	1.236	0.44
56_M	96_H	1.236	0.44
71_S	85_V	1.233	0.44
59_F	72_L	1.220	0.43
43_V	56_M	1.212	0.43
33_T	95_F	1.170	0.40
44_F	84_A	1.161	0.40
18_I	22_Y	1.134	0.38
116_F	120_K	1.134	0.38
106_T	113_I	1.117	0.38
4_P	53_V	1.108	0.37
42_T	106_T	1.103	0.37
33_T	68_S	1.095	0.36
56_M	66_G	1.085	0.36
105_M	111_I	1.084	0.36
34_V	66_G	1.084	0.36
10_R	74_S	1.082	0.36
75_A	96_H	1.074	0.35
30_A	96_H	1.063	0.35
84_A	104_L	1.059	0.35
80_N	88_A	1.059	0.35
113_I	116_F	1.042	0.34
32_K	117_I	1.034	0.33
48_N	80_N	1.016	0.33
8_F	56_M	1.016	0.33
17_F	95_F	1.004	0.32
14_Y	110_V	0.994	0.32
59_F	63_V	0.975	0.31
76_A	80_N	0.972	0.31
61_R	102_I	0.957	0.30
7_T	66_G	0.953	0.30
85_V	97_M	0.946	0.29
48_N	88_A	0.943	0.29
32_K	48_N	0.940	0.29
116_F	119_L	0.937	0.29
49_F	55_R	0.937	0.29
5_K	39_I	0.925	0.28
84_A	118_Q	0.923	0.28
29_T	32_K	0.922	0.28
61_R	101_V	0.921	0.28
48_N	95_F	0.907	0.28
9_S	109_P	0.901	0.27
24_L	27_G	0.892	0.27
12_R	39_I	0.888	0.27
9_S	85_V	0.888	0.27
20_A	109_P	0.883	0.27
9_S	98_A	0.878	0.26
30_A	87_V	0.866	0.26
60_D	101_V	0.866	0.26
12_R	53_V	0.855	0.25
74_S	116_F	0.851	0.25
35_F	103_G	0.850	0.25
38_L	42_T	0.850	0.25
50_L	67_K	0.847	0.25
23_V	104_L	0.843	0.25
88_A	100_T	0.840	0.25
47_F	91_N	0.838	0.25
55_R	85_V	0.837	0.25
110_V	113_I	0.835	0.25
83_L	120_K	0.834	0.25
86_A	90_K	0.834	0.25
11_Q	111_I	0.831	0.24
23_V	37_G	0.825	0.24
22_Y	116_F	0.815	0.24
53_V	101_V	0.814	0.24
54_R	91_N	0.795	0.23
37_G	85_V	0.791	0.23
61_R	83_L	0.788	0.23
76_A	121_R	0.785	0.23
34_V	117_I	0.785	0.23
13_K	74_S	0.780	0.22
22_Y	87_V	0.780	0.22
3_D	66_G	0.773	0.22
2_D	54_R	0.763	0.22
37_G	48_N	0.763	0.22
118_Q	121_R	0.762	0.22
61_R	65_K	0.761	0.22
49_F	100_T	0.760	0.22
2_D	56_M	0.759	0.22
57_N	61_R	0.752	0.21
11_Q	53_V	0.739	0.21
49_F	114_D	0.736	0.21
29_T	47_F	0.730	0.21
43_V	118_Q	0.728	0.21
18_I	24_L	0.727	0.21
79_C	109_P	0.725	0.20
26_Y	107_I	0.724	0.20
25_G	45_S	0.720	0.20
5_K	54_R	0.712	0.20
100_T	121_R	0.704	0.20
74_S	119_L	0.699	0.20
17_F	21_V	0.695	0.19
13_K	27_G	0.695	0.19
2_D	78_W	0.694	0.19
55_R	76_A	0.692	0.19
58_A	68_S	0.685	0.19
24_L	116_F	0.680	0.19
54_R	109_P	0.679	0.19
12_R	16_L	0.674	0.19
101_V	104_L	0.672	0.19
7_T	13_K	0.671	0.19
81_A	103_G	0.671	0.19
33_T	61_R	0.669	0.19
49_F	110_V	0.667	0.19
30_A	71_S	0.646	0.18
34_V	48_N	0.632	0.17
4_P	56_M	0.625	0.17
25_G	71_S	0.625	0.17
20_A	79_C	0.621	0.17
59_F	105_M	0.611	0.17
29_T	82_I	0.606	0.17
92_P	95_F	0.605	0.17
14_Y	42_T	0.602	0.16
25_G	108_Y	0.602	0.16
38_L	113_I	0.601	0.16
15_L	46_L	0.596	0.16
42_T	66_G	0.593	0.16
29_T	50_L	0.592	0.16
16_L	84_A	0.588	0.16
88_A	95_F	0.585	0.16
58_A	75_A	0.578	0.16
37_G	119_L	0.569	0.16
31_Y	115_S	0.566	0.15
11_Q	51_L	0.563	0.15
64_E	121_R	0.563	0.15
17_F	24_L	0.561	0.15
49_F	91_N	0.559	0.15
18_I	78_W	0.557	0.15
112_M	115_S	0.557	0.15
80_N	112_M	0.557	0.15
75_A	117_I	0.553	0.15
58_A	112_M	0.553	0.15
51_L	55_R	0.551	0.15
16_L	98_A	0.550	0.15
3_D	71_S	0.544	0.15
45_S	83_L	0.541	0.15
36_L	119_L	0.539	0.15
69_I	82_I	0.539	0.15
23_V	39_I	0.534	0.15
14_Y	34_V	0.530	0.14
57_N	68_S	0.527	0.14
36_L	81_A	0.525	0.14
39_I	100_T	0.524	0.14
29_T	35_F	0.524	0.14
65_K	109_P	0.523	0.14
52_L	73_G	0.519	0.14
82_I	117_I	0.517	0.14
9_S	84_A	0.516	0.14
62_A	72_L	0.514	0.14
97_M	117_I	0.504	0.14
45_S	116_F	0.500	0.14

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
4lz6A	1	0.9134	29.9	0.93	Contact Map
3w4tA	1	0.9055	18.2	0.937	Contact Map
3mktA	1	0.9764	18	0.937	Contact Map
4humA	1	0.9606	15.3	0.939	Contact Map
1pw4A	1	0.9685	12.3	0.941	Contact Map
3j08A	2	0.874	12	0.942	Contact Map
4xnjA	1	0.8898	11.3	0.942	Contact Map
2m20A	2	0.2835	11.1	0.942	Contact Map
2m8rA	1	0.2992	10.4	0.943	Contact Map
2cfqA	1	0.9685	10	0.944	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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