KTHY - BACSU - GREMLIN Contacts

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KTHY - Thymidylate kinase

UniProt:	P37537	Sequences: MSGLFITFEGPEGAGKTTVLQEIKNILTAEGLQVMATREPGGIDIAEQIREVILNENNILMDPKTEALLYAAARRQHLVEKVKPALEQGFIVLCDRFIDSSLAYQGYARGLGIDEVLSINEFAIGDMMPHVTVYFSIDPEEGLKRIYANGSREKNRLDLEKLDFHTKVQEGYQELMKRFPERFHSVDAGQSKDLVVQDVLKVIDEALKKIQL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	212 (201)
Sequences:	4668 (3484)
Seq/√Len:	245.7

ECOLI - KTHY
BACSU - KTHY
HALSA - KTHY
SULSO - Q97YW0 KTHY2 KTHY1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
190_Q	198_D	3.790	1.00
26_I	200_L	3.239	1.00
33_Q	90_F	3.166	1.00
135_F	188_A	3.000	1.00
22_E	196_V	2.858	1.00
107_Y	171_G	2.698	1.00
136_S	169_Q	2.614	1.00
24_K	28_T	2.466	1.00
190_Q	194_L	2.390	1.00
141_E	144_K	2.174	1.00
191_S	194_L	2.147	1.00
76_Q	80_E	2.133	1.00
169_Q	173_Q	2.119	1.00
186_V	195_V	2.074	1.00
35_M	90_F	2.058	1.00
37_T	77_H	2.001	1.00
20_L	36_A	1.975	1.00
20_L	93_L	1.925	1.00
30_E	204_D	1.922	1.00
19_V	199_V	1.867	1.00
79_V	83_K	1.862	1.00
136_S	173_Q	1.847	1.00
32_L	91_I	1.814	1.00
19_V	196_V	1.795	1.00
4_L	91_I	1.792	1.00
155_N	158_D	1.787	1.00
24_K	36_A	1.786	1.00
26_I	30_E	1.729	1.00
83_K	87_E	1.707	1.00
184_H	202_V	1.684	1.00
196_V	200_L	1.680	1.00
173_Q	185_S	1.679	1.00
138_D	189_G	1.667	1.00
14_A	137_I	1.653	1.00
24_K	93_L	1.578	1.00
133_V	202_V	1.576	1.00
134_Y	183_F	1.570	1.00
99_D	182_R	1.528	1.00
19_V	22_E	1.515	1.00
5_F	94_C	1.505	1.00
137_I	141_E	1.480	1.00
109_R	160_E	1.456	1.00
184_H	206_A	1.438	1.00
118_S	121_E	1.434	1.00
170_E	174_E	1.393	1.00
47_E	73_A	1.366	1.00
83_K	127_M	1.352	1.00
176_M	185_S	1.351	1.00
48_Q	51_E	1.349	1.00
134_Y	185_S	1.348	1.00
166_T	170_E	1.343	1.00
45_I	61_M	1.339	1.00
26_I	204_D	1.336	1.00
23_I	203_I	1.332	1.00
25_N	29_A	1.327	1.00
7_T	94_C	1.318	1.00
12_E	142_G	1.317	1.00
135_F	199_V	1.312	1.00
133_V	199_V	1.292	1.00
62_D	79_V	1.288	1.00
26_I	196_V	1.284	1.00
49_I	69_L	1.271	1.00
174_E	178_R	1.255	1.00
35_M	85_A	1.246	1.00
162_L	166_T	1.242	1.00
141_E	189_G	1.237	1.00
99_D	132_T	1.216	1.00
8_F	23_I	1.215	1.00
11_P	165_H	1.214	1.00
139_P	162_L	1.208	1.00
22_E	192_K	1.207	1.00
85_A	90_F	1.205	1.00
22_E	193_D	1.203	1.00
174_E	177_K	1.203	1.00
200_L	204_D	1.199	1.00
103_A	107_Y	1.184	1.00
202_V	206_A	1.174	1.00
142_G	146_I	1.164	1.00
186_V	202_V	1.159	1.00
43_I	46_A	1.157	1.00
196_V	199_V	1.154	1.00
30_E	200_L	1.152	1.00
7_T	99_D	1.147	1.00
71_A	120_N	1.145	1.00
21_Q	25_N	1.137	1.00
117_L	178_R	1.137	1.00
140_E	166_T	1.130	1.00
117_L	121_E	1.116	1.00
175_L	183_F	1.114	1.00
75_R	79_V	1.112	1.00
51_E	55_N	1.107	1.00
37_T	94_C	1.103	1.00
78_L	127_M	1.091	1.00
67_A	71_A	1.089	1.00
163_D	166_T	1.085	1.00
134_Y	173_Q	1.085	1.00
163_D	167_K	1.083	1.00
9_E	100_S	1.077	1.00
18_T	192_K	1.076	1.00
138_D	141_E	1.075	1.00
24_K	34_V	1.074	1.00
133_V	184_H	1.073	1.00
134_Y	176_M	1.070	1.00
124_I	127_M	1.067	1.00
131_V	184_H	1.061	1.00
36_A	93_L	1.057	1.00
202_V	205_E	1.049	1.00
137_I	142_G	1.047	1.00
198_D	201_K	1.046	1.00
192_K	196_V	1.040	1.00
62_D	75_R	1.037	1.00
197_Q	201_K	1.028	1.00
35_M	81_K	1.024	1.00
25_N	28_T	1.024	1.00
71_A	98_I	1.013	1.00
64_K	115_E	1.010	1.00
198_D	202_V	1.007	1.00
131_V	206_A	1.007	1.00
56_E	159_L	0.991	1.00
19_V	192_K	0.984	1.00
128_M	179_F	0.977	1.00
26_I	197_Q	0.976	1.00
28_T	34_V	0.975	1.00
194_L	198_D	0.970	1.00
139_P	169_Q	0.968	1.00
134_Y	169_Q	0.964	1.00
71_A	101_S	0.963	1.00
108_A	167_K	0.961	1.00
114_D	118_S	0.960	1.00
146_I	149_N	0.955	1.00
187_D	190_Q	0.940	1.00
143_L	162_L	0.936	1.00
46_A	73_A	0.933	1.00
143_L	146_I	0.929	1.00
64_K	79_V	0.924	1.00
73_A	77_H	0.922	1.00
70_Y	157_L	0.915	1.00
64_K	122_F	0.911	1.00
33_Q	88_Q	0.906	1.00
131_V	202_V	0.905	1.00
98_I	128_M	0.901	1.00
115_E	122_F	0.890	1.00
99_D	183_F	0.882	1.00
173_Q	176_M	0.881	1.00
133_V	186_V	0.877	0.99
82_V	92_V	0.876	0.99
201_K	204_D	0.876	0.99
26_I	29_A	0.865	0.99
201_K	205_E	0.860	0.99
17_T	21_Q	0.859	0.99
11_P	142_G	0.856	0.99
48_Q	55_N	0.848	0.99
43_I	81_K	0.842	0.99
136_S	185_S	0.842	0.99
144_K	148_A	0.838	0.99
102_L	175_L	0.832	0.99
5_F	97_F	0.831	0.99
22_E	25_N	0.825	0.99
39_E	77_H	0.812	0.99
137_I	188_A	0.807	0.99
117_L	179_F	0.807	0.99
120_N	123_A	0.797	0.99
40_P	74_R	0.794	0.99
7_T	182_R	0.790	0.99
53_I	70_Y	0.773	0.99
98_I	120_N	0.770	0.99
167_K	170_E	0.768	0.99
8_F	199_V	0.763	0.99
194_L	197_Q	0.761	0.99
28_T	33_Q	0.759	0.99
186_V	199_V	0.759	0.99
115_E	118_S	0.758	0.99
34_V	91_I	0.758	0.99
103_A	108_A	0.755	0.98
12_E	165_H	0.754	0.98
67_A	119_I	0.753	0.98
81_K	85_A	0.748	0.98
8_F	20_L	0.747	0.98
71_A	116_V	0.744	0.98
62_D	65_T	0.744	0.98
143_L	147_Y	0.740	0.98
102_L	113_I	0.740	0.98
171_G	174_E	0.737	0.98
21_Q	36_A	0.734	0.98
140_E	162_L	0.732	0.98
19_V	23_I	0.732	0.98
133_V	203_I	0.732	0.98
21_Q	24_K	0.730	0.98
113_I	174_E	0.729	0.98
77_H	94_C	0.728	0.98
50_R	54_L	0.728	0.98
150_G	154_K	0.727	0.98
176_M	183_F	0.727	0.98
104_Y	164_F	0.723	0.98
84_P	88_Q	0.714	0.98
103_A	171_G	0.711	0.98
179_F	182_R	0.709	0.98
132_T	182_R	0.708	0.98
154_K	159_L	0.701	0.98
74_R	101_S	0.701	0.98
34_V	90_F	0.699	0.98
112_G	115_E	0.696	0.97
48_Q	58_N	0.691	0.97
85_A	88_Q	0.687	0.97
67_A	116_V	0.685	0.97
117_L	128_M	0.682	0.97
7_T	183_F	0.674	0.97
46_A	49_I	0.668	0.97
11_P	134_Y	0.666	0.97
78_L	82_V	0.664	0.97
55_N	58_N	0.663	0.97
28_T	36_A	0.660	0.96
195_V	198_D	0.658	0.96
70_Y	73_A	0.655	0.96
46_A	76_Q	0.655	0.96
68_L	119_I	0.650	0.96
19_V	195_V	0.649	0.96
17_T	38_R	0.648	0.96
121_E	128_M	0.646	0.96
13_G	146_I	0.645	0.96
19_V	188_A	0.639	0.96
39_E	74_R	0.635	0.96
58_N	61_M	0.631	0.95
147_Y	154_K	0.627	0.95
65_T	75_R	0.627	0.95
179_F	183_F	0.626	0.95
71_A	123_A	0.625	0.95
101_S	116_V	0.623	0.95
45_I	58_N	0.622	0.95
64_K	125_G	0.621	0.95
108_A	112_G	0.620	0.95
8_F	19_V	0.616	0.95
8_F	135_F	0.615	0.95
139_P	166_T	0.615	0.95
55_N	59_I	0.615	0.95
109_R	164_F	0.615	0.95
114_D	117_L	0.613	0.95
98_I	124_I	0.613	0.95
5_F	86_L	0.610	0.95
4_L	206_A	0.607	0.94
65_T	72_A	0.606	0.94
85_A	92_V	0.600	0.94
4_L	130_H	0.596	0.94
31_G	34_V	0.591	0.94
14_A	142_G	0.589	0.94
108_A	168_V	0.587	0.93
8_F	133_V	0.584	0.93
112_G	116_V	0.581	0.93
34_V	93_L	0.580	0.93
38_R	47_E	0.579	0.93
155_N	159_L	0.577	0.93
101_S	105_Q	0.575	0.93
103_A	168_V	0.572	0.93
6_I	130_H	0.565	0.92
102_L	117_L	0.562	0.92
164_F	168_V	0.562	0.92
97_F	127_M	0.562	0.92
110_G	167_K	0.561	0.92
139_P	142_G	0.561	0.92
19_V	135_F	0.560	0.92
132_T	183_F	0.559	0.92
44_D	60_L	0.559	0.92
192_K	195_V	0.558	0.92
62_D	76_Q	0.558	0.92
98_I	123_A	0.558	0.92
140_E	144_K	0.553	0.91
38_R	42_G	0.553	0.91
67_A	101_S	0.552	0.91
118_S	122_F	0.549	0.91
41_G	54_L	0.549	0.91
100_S	172_Y	0.548	0.91
40_P	70_Y	0.546	0.91
9_E	104_Y	0.543	0.90
9_E	134_Y	0.543	0.90
7_T	132_T	0.542	0.90
78_L	83_K	0.542	0.90
160_E	164_F	0.541	0.90
123_A	126_D	0.537	0.90
66_E	157_L	0.534	0.90
37_T	92_V	0.533	0.90
119_I	122_F	0.533	0.90
99_D	179_F	0.527	0.89
106_G	112_G	0.526	0.89
23_I	196_V	0.524	0.89
157_L	160_E	0.518	0.88
70_Y	102_L	0.517	0.88
41_G	77_H	0.517	0.88
56_E	70_Y	0.516	0.88
22_E	199_V	0.514	0.88
41_G	50_R	0.513	0.88
108_A	164_F	0.513	0.88
68_L	122_F	0.510	0.88
38_R	95_D	0.507	0.87
48_Q	56_E	0.505	0.87
5_F	82_V	0.504	0.87
170_E	173_Q	0.503	0.87
56_E	59_I	0.502	0.87
98_I	101_S	0.502	0.87
3_G	89_G	0.501	0.87
45_I	48_Q	0.501	0.87
19_V	26_I	0.500	0.87
65_T	76_Q	0.500	0.87

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
3czpA	2	0.816	100	0.356	Contact Map
4edhA	2	0.9906	100	0.401	Contact Map
2plrA	2	0.9387	100	0.404	Contact Map
2yogA	1	0.8821	100	0.419	Contact Map
1p6xA	3	0.967	100	0.42	Contact Map
4eaqA	2	0.9434	100	0.423	Contact Map
1nn5A	2	0.9198	100	0.423	Contact Map
4tmkA	3	0.9717	100	0.425	Contact Map
1gtvA	2	0.9198	100	0.428	Contact Map
4hlcA	2	0.934	100	0.429	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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