ATKC - HALSA - GREMLIN Contacts

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ATKC - Potassium-transporting ATPase C chain

UniProt:	P57687	Sequences: MNRQDLAVPLRLLGVSLLVFGLLYQGSLMAIGDAVFPNSSAGSPVYVDGQEQPVGSQMIGQQFRPGQPEDVQYFWSRPSANDYNAMTSASTNWGPTNPLLSERVRADLQNISQYETPDDSVPVNLVSESGSSYDAHISPAAAEYQVLRVANQTGISEQRLNEMIDEATKEPWLGIWGHERVNVLELNLMVRDALNEQNETDQNSDMNASEIANGDH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	216 (183)
Sequences:	1761 (1244)
Seq/√Len:	92.0

ECOLI - ATKC
HALSA - ATKC

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_D	41_A	4.060	1.00
103_R	107_D	3.565	1.00
74_F	186_L	3.376	1.00
125_L	141_A	3.336	1.00
146_V	164_I	3.123	1.00
143_E	161_N	2.997	1.00
7_A	11_R	2.995	1.00
73_Y	191_R	2.950	1.00
65_P	72_Q	2.765	1.00
44_P	53_P	2.659	1.00
57_Q	185_E	2.536	1.00
136_H	169_K	2.491	1.00
147_L	157_E	2.443	1.00
60_G	76_S	2.391	1.00
153_T	191_R	2.169	1.00
102_E	106_A	2.155	1.00
146_V	157_E	2.125	1.00
75_W	114_Y	2.071	1.00
46_Y	49_G	2.028	1.00
88_S	133_Y	2.003	1.00
143_E	165_D	1.978	1.00
74_F	149_V	1.972	1.00
55_G	184_L	1.950	1.00
139_P	168_T	1.880	1.00
155_I	160_L	1.878	1.00
13_L	17_L	1.878	1.00
108_L	126_V	1.839	1.00
143_E	168_T	1.817	1.00
125_L	144_Y	1.769	1.00
163_M	186_L	1.758	1.00
137_I	142_A	1.653	1.00
31_I	35_V	1.650	1.00
146_V	160_L	1.643	1.00
157_E	161_N	1.601	1.00
171_P	178_H	1.569	1.00
156_S	159_R	1.556	1.00
99_L	102_E	1.548	1.00
162_E	166_E	1.534	1.00
136_H	180_R	1.528	1.00
38_N	57_Q	1.505	1.00
74_F	163_M	1.485	1.00
36_F	39_S	1.468	1.00
71_V	114_Y	1.462	1.00
159_R	162_E	1.442	0.99
46_Y	53_P	1.421	0.99
167_A	189_M	1.414	0.99
124_N	137_I	1.397	0.99
167_A	185_E	1.385	0.99
169_K	185_E	1.381	0.99
116_T	144_Y	1.299	0.99
124_N	138_S	1.288	0.99
105_R	109_Q	1.277	0.99
169_K	180_R	1.271	0.99
143_E	147_L	1.270	0.99
172_W	180_R	1.270	0.99
149_V	152_Q	1.269	0.99
112_S	115_E	1.256	0.99
146_V	161_N	1.253	0.99
171_P	179_E	1.245	0.98
98_P	102_E	1.244	0.98
149_V	186_L	1.244	0.98
161_N	165_D	1.241	0.98
65_P	73_Y	1.234	0.98
65_P	71_V	1.219	0.98
111_I	144_Y	1.210	0.98
153_T	190_V	1.207	0.98
102_E	105_R	1.199	0.98
112_S	116_T	1.187	0.98
172_W	176_W	1.160	0.98
101_S	105_R	1.157	0.98
74_F	164_I	1.155	0.97
111_I	116_T	1.136	0.97
111_I	141_A	1.134	0.97
81_N	89_A	1.126	0.97
155_I	193_A	1.083	0.96
91_T	128_E	1.081	0.96
115_E	144_Y	1.079	0.96
63_F	184_L	1.075	0.96
107_D	128_E	1.062	0.96
103_R	128_E	1.058	0.96
18_L	23_L	1.056	0.96
23_L	27_S	1.051	0.96
75_W	115_E	1.035	0.95
80_A	128_E	1.030	0.95
108_L	112_S	1.028	0.95
158_Q	161_N	1.024	0.95
16_S	20_F	1.015	0.95
137_I	183_V	1.013	0.95
110_N	114_Y	0.994	0.94
143_E	146_V	0.993	0.94
163_M	193_A	0.993	0.94
30_A	34_A	0.973	0.93
93_W	100_L	0.970	0.93
12_L	16_S	0.969	0.93
122_P	144_Y	0.954	0.93
142_A	149_V	0.951	0.93
73_Y	153_T	0.950	0.93
155_I	159_R	0.938	0.92
60_G	83_Y	0.935	0.92
13_L	20_F	0.923	0.91
141_A	144_Y	0.922	0.91
62_Q	76_S	0.920	0.91
153_T	160_L	0.907	0.91
60_G	82_D	0.898	0.90
75_W	148_R	0.890	0.90
99_L	103_R	0.886	0.90
32_G	37_P	0.884	0.90
21_G	29_M	0.884	0.90
151_N	154_G	0.876	0.89
88_S	131_S	0.873	0.89
78_P	128_E	0.870	0.89
140_A	143_E	0.865	0.89
107_D	110_N	0.863	0.88
63_F	153_T	0.858	0.88
161_N	164_I	0.843	0.87
18_L	22_L	0.842	0.87
25_Q	88_S	0.842	0.87
45_V	188_L	0.841	0.87
111_I	114_Y	0.841	0.87
4_Q	8_V	0.841	0.87
26_G	30_A	0.837	0.87
109_Q	113_Q	0.836	0.87
47_V	188_L	0.823	0.86
17_L	20_F	0.817	0.86
85_A	88_S	0.815	0.85
174_G	180_R	0.815	0.85
46_Y	50_Q	0.812	0.85
139_P	164_I	0.808	0.85
8_V	12_L	0.808	0.85
29_M	32_G	0.802	0.85
117_P	144_Y	0.802	0.85
43_S	56_S	0.795	0.84
11_R	14_G	0.792	0.84
159_R	166_E	0.792	0.84
106_A	109_Q	0.788	0.83
100_L	103_R	0.784	0.83
165_D	168_T	0.784	0.83
147_L	151_N	0.776	0.83
63_F	73_Y	0.775	0.82
17_L	21_G	0.773	0.82
112_S	118_D	0.764	0.82
166_E	189_M	0.764	0.82
149_V	190_V	0.758	0.81
8_V	11_R	0.754	0.81
95_P	101_S	0.752	0.80
59_I	88_S	0.742	0.80
111_I	125_L	0.741	0.80
79_S	83_Y	0.741	0.80
47_V	50_Q	0.741	0.80
13_L	16_S	0.739	0.79
29_M	36_F	0.739	0.79
108_L	118_D	0.733	0.79
22_L	28_L	0.731	0.79
112_S	117_P	0.728	0.78
147_L	160_L	0.722	0.78
184_L	188_L	0.719	0.77
121_V	126_V	0.718	0.77
174_G	177_G	0.704	0.76
158_Q	162_E	0.703	0.76
173_L	176_W	0.703	0.76
112_S	144_Y	0.701	0.76
116_T	151_N	0.701	0.76
117_P	121_V	0.695	0.75
153_T	189_M	0.695	0.75
62_Q	82_D	0.694	0.75
84_N	87_T	0.693	0.75
116_T	119_D	0.690	0.75
24_Y	125_L	0.687	0.74
76_S	125_L	0.687	0.74
45_V	184_L	0.683	0.74
28_L	95_P	0.681	0.74
115_E	148_R	0.674	0.73
120_S	144_Y	0.673	0.73
94_G	103_R	0.672	0.73
97_N	101_S	0.664	0.72
59_I	97_N	0.664	0.72
142_A	183_V	0.663	0.72
107_D	111_I	0.662	0.71
65_P	75_W	0.662	0.71
85_A	94_G	0.661	0.71
165_D	170_E	0.660	0.71
81_N	84_N	0.659	0.71
12_L	188_L	0.656	0.71
7_A	12_L	0.656	0.71
22_L	25_Q	0.650	0.70
5_D	9_P	0.648	0.70
173_L	180_R	0.647	0.70
14_G	31_I	0.643	0.69
164_I	168_T	0.643	0.69
188_L	192_D	0.642	0.69
139_P	143_E	0.639	0.69
171_P	177_G	0.638	0.69
81_N	87_T	0.630	0.68
90_S	133_Y	0.625	0.67
71_V	152_Q	0.625	0.67
76_S	152_Q	0.625	0.67
76_S	141_A	0.624	0.67
168_T	177_G	0.619	0.66
111_I	121_V	0.618	0.66
150_A	153_T	0.616	0.66
11_R	15_V	0.612	0.65
125_L	137_I	0.612	0.65
62_Q	75_W	0.608	0.65
117_P	120_S	0.608	0.65
76_S	184_L	0.607	0.65
29_M	33_D	0.607	0.65
93_W	128_E	0.602	0.64
21_G	25_Q	0.600	0.64
32_G	39_S	0.599	0.64
59_I	133_Y	0.597	0.64
42_G	56_S	0.594	0.63
108_L	121_V	0.593	0.63
139_P	180_R	0.592	0.63
26_G	101_S	0.591	0.63
79_S	97_N	0.591	0.63
50_Q	54_V	0.590	0.63
139_P	171_P	0.586	0.62
25_Q	131_S	0.586	0.62
121_V	124_N	0.580	0.61
75_W	144_Y	0.580	0.61
40_S	43_S	0.579	0.61
163_M	189_M	0.578	0.61
20_F	90_S	0.577	0.61
111_I	115_E	0.575	0.61
106_A	110_N	0.573	0.60
63_F	95_P	0.571	0.60
164_I	186_L	0.571	0.60
73_Y	190_V	0.569	0.60
4_Q	11_R	0.568	0.60
79_S	88_S	0.568	0.60
90_S	128_E	0.567	0.60
82_D	87_T	0.566	0.59
60_G	84_N	0.565	0.59
185_E	188_L	0.564	0.59
90_S	132_S	0.562	0.59
12_L	19_V	0.562	0.59
20_F	25_Q	0.560	0.59
19_V	25_Q	0.560	0.59
108_L	116_T	0.559	0.59
26_G	29_M	0.559	0.59
80_A	84_N	0.558	0.58
157_E	160_L	0.558	0.58
43_S	58_M	0.558	0.58
16_S	19_V	0.551	0.57
25_Q	42_G	0.550	0.57
65_P	152_Q	0.543	0.56
150_A	160_L	0.538	0.56
123_V	140_A	0.533	0.55
93_W	99_L	0.531	0.55
40_S	56_S	0.529	0.54
104_V	107_D	0.529	0.54
108_L	114_Y	0.527	0.54
20_F	23_L	0.527	0.54
11_R	186_L	0.524	0.54
31_I	96_T	0.523	0.54
80_A	132_S	0.523	0.54
128_E	132_S	0.521	0.53
63_F	76_S	0.521	0.53
27_S	30_A	0.520	0.53
104_V	126_V	0.520	0.53
32_G	62_Q	0.519	0.53
74_F	79_S	0.517	0.53
113_Q	159_R	0.516	0.53
119_D	158_Q	0.513	0.52
124_N	178_H	0.510	0.52
143_E	162_E	0.506	0.51
148_R	190_V	0.506	0.51
122_P	127_S	0.505	0.51
16_S	25_Q	0.504	0.51
14_G	156_S	0.502	0.51
143_E	160_L	0.502	0.51
123_V	144_Y	0.502	0.51
48_D	165_D	0.500	0.50
46_Y	166_E	0.500	0.50

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
1q90R	1	0.1528	41.8	0.959	Contact Map
3pzpA	1	0.3333	38.1	0.96	Contact Map
4xrvA	1	0.713	34	0.961	Contact Map
4utoA	1	0.7315	28.9	0.962	Contact Map
4mt1A	3	0.9259	20.4	0.965	Contact Map
3ne5A	3	0.9259	14.8	0.967	Contact Map
1xrsA	2	0.3657	13.9	0.968	Contact Map
4k0jA	3	0.8981	11.1	0.969	Contact Map
4dx5A	3	0.9491	8.9	0.97	Contact Map
3hd7A	1	0.1481	8.3	0.971	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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