KADA - SULSO - GREMLIN Contacts

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KADA - Adenylate kinase

UniProt:	Q9UX83	Sequences: MKIGIVTGIPGVGKTTVLSFADKILTEKGISHKIVNYGDYMLNTALKEGYVKSRDEIRKLQIEKQRELQALAARRIVEDLSLLGDEGIGLIDTHAVIRTPAGYLPGLPRHVIEVLSPKVIFLLEADPKIILERQKRDSSRARTDYSDTAVINEVIQFARYSAMASAVLVGASVKVVVNQEGDPSIAASEIINSLM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	195 (180)
Sequences:	128 (96)
Seq/√Len:	7.1

SULSO - KADA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
109_R	113_E	4.889	0.99
124_E	159_R	3.387	0.91
21_A	190_I	2.774	0.79
8_G	178_N	2.444	0.69
34_I	185_I	2.425	0.68
37_Y	68_L	2.284	0.63
182_D	185_I	2.267	0.63
183_P	190_I	2.230	0.62
134_Q	158_A	2.174	0.59
93_T	106_G	2.083	0.56
103_Y	153_E	2.063	0.55
52_K	56_E	2.050	0.55
42_L	70_A	2.049	0.55
37_Y	147_D	1.986	0.52
17_V	126_D	1.959	0.51
18_L	123_L	1.957	0.51
183_P	187_A	1.891	0.49
111_V	144_D	1.864	0.48
54_R	106_G	1.843	0.47
54_R	93_T	1.843	0.47
92_D	137_D	1.817	0.46
100_P	170_G	1.808	0.45
158_A	165_S	1.797	0.45
55_D	58_R	1.749	0.43
146_S	154_V	1.707	0.42
154_V	158_A	1.689	0.41
155_I	165_S	1.687	0.41
134_Q	165_S	1.669	0.40
155_I	158_A	1.652	0.39
176_V	180_E	1.634	0.39
134_Q	154_V	1.626	0.39
121_F	145_Y	1.625	0.39
69_Q	93_T	1.624	0.38
69_Q	106_G	1.624	0.38
111_V	124_E	1.613	0.38
8_G	12_V	1.575	0.37
7_T	99_T	1.543	0.36
115_L	166_A	1.534	0.35
39_D	42_L	1.528	0.35
16_T	104_L	1.523	0.35
124_E	158_A	1.495	0.34
97_I	105_P	1.493	0.34
96_V	161_S	1.454	0.32
48_E	71_L	1.450	0.32
12_V	146_S	1.446	0.32
95_A	120_I	1.439	0.32
49_G	152_N	1.397	0.31
96_V	158_A	1.394	0.30
128_K	148_T	1.390	0.30
63_E	151_I	1.355	0.29
54_R	69_Q	1.355	0.29
141_A	184_S	1.339	0.29
51_V	171_A	1.334	0.29
65_Q	144_D	1.329	0.28
36_N	39_D	1.307	0.28
15_T	147_D	1.300	0.27
152_N	156_Q	1.281	0.27
89_G	101_A	1.267	0.26
65_Q	170_G	1.265	0.26
14_K	92_D	1.262	0.26
12_V	181_G	1.223	0.25
75_R	141_A	1.212	0.25
45_A	99_T	1.210	0.25
56_E	62_I	1.205	0.25
75_R	148_T	1.205	0.25
47_K	192_N	1.185	0.24
56_E	116_S	1.184	0.24
38_G	94_H	1.177	0.24
132_E	135_K	1.172	0.24
12_V	68_L	1.170	0.24
6_V	17_V	1.163	0.23
10_P	117_P	1.162	0.23
125_A	182_D	1.158	0.23
65_Q	99_T	1.152	0.23
45_A	65_Q	1.133	0.23
74_R	176_V	1.119	0.22
7_T	120_I	1.117	0.22
102_G	117_P	1.114	0.22
103_Y	150_V	1.091	0.21
21_A	191_I	1.091	0.21
126_D	131_L	1.079	0.21
14_K	137_D	1.078	0.21
87_G	188_S	1.078	0.21
5_I	87_G	1.075	0.21
47_K	86_E	1.072	0.21
67_E	77_V	1.053	0.21
112_I	120_I	1.049	0.20
37_Y	97_I	1.047	0.20
77_V	123_L	1.046	0.20
91_I	112_I	1.041	0.20
159_R	162_A	1.038	0.20
123_L	152_N	1.033	0.20
176_V	190_I	1.026	0.20
110_H	172_S	1.026	0.20
12_V	37_Y	1.019	0.20
69_Q	97_I	1.015	0.20
75_R	174_K	0.986	0.19
57_I	162_A	0.982	0.19
42_L	135_K	0.977	0.19
14_K	62_I	0.969	0.18
55_D	105_P	0.966	0.18
134_Q	155_I	0.959	0.18
41_M	102_G	0.949	0.18
122_L	159_R	0.933	0.18
51_V	180_E	0.923	0.17
47_K	121_F	0.923	0.17
60_L	130_I	0.919	0.17
91_I	164_A	0.918	0.17
125_A	178_N	0.916	0.17
40_Y	134_Q	0.915	0.17
7_T	165_S	0.915	0.17
146_S	158_A	0.905	0.17
47_K	78_E	0.901	0.17
39_D	177_V	0.900	0.17
63_E	97_I	0.900	0.17
37_Y	123_L	0.899	0.17
122_L	126_D	0.886	0.17
93_T	105_P	0.885	0.17
170_G	178_N	0.884	0.17
9_I	37_Y	0.881	0.17
118_K	121_F	0.878	0.16
54_R	105_P	0.872	0.16
134_Q	184_S	0.871	0.16
10_P	15_T	0.869	0.16
58_R	144_D	0.865	0.16
65_Q	178_N	0.865	0.16
8_G	125_A	0.847	0.16
97_I	106_G	0.847	0.16
93_T	97_I	0.847	0.16
136_R	188_S	0.843	0.16
8_G	65_Q	0.838	0.16
55_D	93_T	0.837	0.16
55_D	106_G	0.837	0.16
32_H	110_H	0.832	0.15
74_R	114_V	0.829	0.15
188_S	192_N	0.826	0.15
6_V	173_V	0.824	0.15
58_R	93_T	0.823	0.15
58_R	106_G	0.823	0.15
58_R	137_D	0.818	0.15
134_Q	146_S	0.818	0.15
16_T	176_V	0.816	0.15
91_I	157_F	0.815	0.15
77_V	134_Q	0.815	0.15
103_Y	160_Y	0.813	0.15
36_N	177_V	0.811	0.15
5_I	62_I	0.808	0.15
32_H	48_E	0.794	0.15
17_V	162_A	0.791	0.15
156_Q	176_V	0.783	0.15
10_P	58_R	0.782	0.15
36_N	146_S	0.780	0.14
120_I	162_A	0.779	0.14
40_Y	44_T	0.772	0.14
57_I	115_L	0.772	0.14
110_H	180_E	0.767	0.14
14_K	120_I	0.766	0.14
16_T	105_P	0.764	0.14
53_S	126_D	0.763	0.14
125_A	129_I	0.760	0.14
41_M	45_A	0.758	0.14
53_S	113_E	0.757	0.14
21_A	171_A	0.754	0.14
14_K	95_A	0.753	0.14
69_Q	105_P	0.744	0.14
5_I	95_A	0.735	0.14
4_G	146_S	0.734	0.14
21_A	160_Y	0.732	0.14
162_A	186_A	0.731	0.14
30_I	157_F	0.731	0.14
89_G	134_Q	0.729	0.14
49_G	125_A	0.728	0.13
70_A	184_S	0.728	0.13
173_V	190_I	0.727	0.13
48_E	150_V	0.726	0.13
76_I	169_V	0.722	0.13
73_A	117_P	0.717	0.13
33_K	180_E	0.716	0.13
5_I	93_T	0.709	0.13
5_I	106_G	0.709	0.13
154_V	165_S	0.709	0.13
119_V	162_A	0.706	0.13
169_V	180_E	0.704	0.13
67_E	123_L	0.703	0.13
139_S	144_D	0.692	0.13
64_K	91_I	0.691	0.13
76_I	97_I	0.688	0.13
32_H	171_A	0.687	0.13
43_N	116_S	0.686	0.13
99_T	104_L	0.685	0.13
43_N	46_L	0.681	0.13
120_I	136_R	0.681	0.13
9_I	174_K	0.680	0.13
6_V	96_V	0.678	0.13
63_E	66_R	0.672	0.13
12_V	178_N	0.670	0.12
110_H	155_I	0.657	0.12
20_F	168_L	0.655	0.12
78_E	86_E	0.655	0.12
55_D	92_D	0.651	0.12
77_V	162_A	0.651	0.12
127_P	186_A	0.648	0.12
8_G	129_I	0.642	0.12
130_I	151_I	0.641	0.12
53_S	177_V	0.641	0.12
58_R	69_Q	0.634	0.12
51_V	104_L	0.632	0.12
53_S	90_L	0.631	0.12
110_H	170_G	0.630	0.12
10_P	175_V	0.629	0.12
111_V	165_S	0.628	0.12
55_D	144_D	0.628	0.12
38_G	108_P	0.626	0.12
94_H	108_P	0.626	0.12
55_D	142_R	0.625	0.12
121_F	160_Y	0.623	0.12
136_R	180_E	0.616	0.12
70_A	91_I	0.614	0.12
71_L	166_A	0.609	0.11
66_R	176_V	0.608	0.11
28_K	101_A	0.599	0.11
14_K	163_M	0.595	0.11
52_K	156_Q	0.594	0.11
105_P	140_R	0.590	0.11
42_L	46_L	0.587	0.11
63_E	89_G	0.586	0.11
15_T	135_K	0.586	0.11
103_Y	115_L	0.584	0.11
8_G	49_G	0.584	0.11
37_Y	135_K	0.584	0.11
36_N	159_R	0.577	0.11
32_H	169_V	0.575	0.11
98_R	153_E	0.573	0.11
55_D	137_D	0.571	0.11
8_G	170_G	0.571	0.11
3_I	177_V	0.562	0.11
45_A	60_L	0.561	0.11
163_M	171_A	0.561	0.11
43_N	72_A	0.561	0.11
103_Y	122_L	0.557	0.11
45_A	68_L	0.554	0.11
12_V	103_Y	0.553	0.11
121_F	190_I	0.552	0.11
122_L	162_A	0.551	0.11
90_L	145_Y	0.546	0.11
70_A	130_I	0.545	0.11
66_R	78_E	0.544	0.11
5_I	58_R	0.541	0.10
22_D	190_I	0.539	0.10
58_R	97_I	0.536	0.10
74_R	136_R	0.536	0.10
32_H	114_V	0.535	0.10
97_I	164_A	0.533	0.10
117_P	166_A	0.532	0.10
6_V	68_L	0.531	0.10
96_V	187_A	0.530	0.10
51_V	162_A	0.529	0.10
157_F	163_M	0.526	0.10
33_K	177_V	0.524	0.10
43_N	169_V	0.521	0.10
30_I	185_I	0.520	0.10
18_L	105_P	0.520	0.10
66_R	118_K	0.519	0.10
116_S	149_A	0.519	0.10
160_Y	192_N	0.516	0.10
124_E	144_D	0.508	0.10
58_R	92_D	0.506	0.10
176_V	183_P	0.503	0.10
77_V	89_G	0.501	0.10
3_I	6_V	0.500	0.10

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
1nksA	5	0.9949	100	0.638	Contact Map
1khtA	5	0.9692	100	0.671	Contact Map
3ld9A	3	0.8205	99.5	0.812	Contact Map
3v9pA	2	0.9179	99.4	0.821	Contact Map
2pbrA	2	0.8718	99.4	0.822	Contact Map
3tmkA	2	0.9282	99.4	0.824	Contact Map
2iyvA	1	0.8513	99.4	0.824	Contact Map
4eaqA	2	0.9026	99.4	0.825	Contact Map
4hlcA	2	0.9026	99.4	0.825	Contact Map
3hjnA	2	0.8718	99.3	0.827	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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