KTHY - ECOLI - GREMLIN Contacts

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KTHY - Thymidylate kinase

UniProt:	P0A720	Sequences: MRSKYIVIEGLEGAGKTTARNVVVETLEQLGIRDMVFTREPGGTQLAEKLRSLVLDIKSVGDEVITDKAEVLMFYAARVQLVETVIKPALANGTWVIGDRHDLSTQAYQGGGRGIDQHMLATLRDAVLGDFRPDLTLYLDVTPEVGLKRARARGELDRIEQESFDFFNRTRARYLELAAQDKSIHTIDATQPLEAVMDAIRTTVTHWVKELDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12302
Length:	213 (199)
Sequences:	4653 (3517)
Seq/√Len:	249.3

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
191_Q	199_A	3.509	1.00
34_D	94_T	3.260	1.00
26_T	201_R	3.249	1.00
139_L	189_A	3.027	1.00
22_V	197_M	2.849	1.00
111_G	173_R	2.667	1.00
140_D	171_R	2.549	1.00
24_V	28_E	2.482	1.00
191_Q	195_A	2.350	1.00
192_P	195_A	2.190	1.00
145_V	148_K	2.165	1.00
171_R	175_L	2.151	1.00
187_I	196_V	2.108	1.00
80_Q	84_T	2.037	1.00
38_T	81_L	1.998	1.00
36_V	94_T	1.987	1.00
20_R	97_I	1.961	1.00
20_R	37_F	1.917	1.00
140_D	175_L	1.895	1.00
4_K	95_W	1.871	1.00
157_D	160_E	1.837	1.00
24_V	37_F	1.813	1.00
19_A	200_I	1.799	1.00
19_A	197_M	1.757	1.00
175_L	186_T	1.753	1.00
87_K	91_A	1.748	1.00
30_L	205_T	1.746	1.00
185_H	203_T	1.716	1.00
142_T	190_T	1.661	1.00
197_M	201_R	1.646	1.00
26_T	30_L	1.645	1.00
14_A	141_V	1.638	1.00
24_V	97_I	1.609	1.00
103_L	183_S	1.583	1.00
137_L	203_T	1.582	1.00
83_E	87_K	1.525	1.00
138_Y	184_I	1.521	1.00
185_H	207_W	1.493	1.00
19_A	22_V	1.484	1.00
122_T	125_D	1.482	1.00
141_V	145_V	1.469	1.00
113_R	162_E	1.463	1.00
5_Y	98_G	1.462	1.00
138_Y	186_T	1.390	1.00
87_K	131_F	1.389	1.00
48_E	77_A	1.373	1.00
66_T	83_E	1.369	1.00
23_V	204_V	1.365	1.00
172_A	176_E	1.351	1.00
168_N	172_A	1.349	1.00
7_V	98_G	1.341	1.00
46_L	65_I	1.336	1.00
26_T	205_T	1.325	1.00
139_L	200_I	1.318	1.00
49_K	52_S	1.314	1.00
178_A	186_T	1.311	1.00
50_L	73_M	1.307	1.00
26_T	197_M	1.297	1.00
25_E	29_Q	1.278	1.00
176_E	180_Q	1.273	1.00
137_L	200_I	1.270	1.00
12_E	146_G	1.269	1.00
145_V	190_T	1.261	1.00
164_F	168_N	1.249	1.00
11_L	167_F	1.244	1.00
89_A	94_T	1.229	1.00
176_E	179_A	1.219	1.00
201_R	205_T	1.218	1.00
22_V	193_L	1.211	1.00
7_V	103_L	1.205	1.00
8_I	23_V	1.204	1.00
22_V	194_E	1.203	1.00
187_I	203_T	1.200	1.00
107_A	111_G	1.199	1.00
36_V	89_A	1.192	1.00
144_E	168_N	1.183	1.00
103_L	136_T	1.181	1.00
146_G	150_A	1.177	1.00
197_M	200_I	1.166	1.00
143_P	164_F	1.160	1.00
52_S	56_D	1.150	1.00
121_A	125_D	1.145	1.00
71_V	75_Y	1.142	1.00
203_T	207_W	1.141	1.00
21_N	25_E	1.129	1.00
44_T	47_A	1.128	1.00
177_L	184_I	1.115	1.00
82_V	131_F	1.114	1.00
38_T	98_G	1.107	1.00
18_T	193_L	1.104	1.00
165_D	168_N	1.101	1.00
9_E	104_S	1.094	1.00
141_V	146_G	1.093	1.00
203_T	206_H	1.080	1.00
199_A	202_T	1.079	1.00
138_Y	178_A	1.070	1.00
75_Y	124_R	1.068	1.00
138_Y	175_L	1.067	1.00
135_L	185_H	1.062	1.00
142_T	145_V	1.058	1.00
165_D	169_R	1.054	1.00
79_V	83_E	1.054	1.00
30_L	201_R	1.053	1.00
28_E	35_M	1.043	1.00
37_F	97_I	1.042	1.00
188_D	191_Q	1.042	1.00
24_V	35_M	1.041	1.00
150_A	153_R	1.034	1.00
75_Y	102_D	1.027	1.00
193_L	197_M	1.025	1.00
128_L	131_F	1.023	1.00
132_R	181_D	1.022	1.00
25_E	28_E	1.021	1.00
137_L	185_H	1.018	1.00
121_A	180_Q	1.016	1.00
44_T	85_V	1.008	1.00
199_A	203_T	1.007	1.00
57_I	161_Q	1.006	1.00
66_T	79_V	1.004	1.00
195_A	199_A	1.002	1.00
68_K	119_M	0.995	1.00
26_T	198_D	0.981	1.00
118_H	122_T	0.976	1.00
198_D	202_T	0.975	1.00
147_L	164_F	0.972	1.00
138_Y	171_R	0.969	1.00
75_Y	105_T	0.966	1.00
112_G	169_R	0.966	1.00
19_A	193_L	0.954	1.00
135_L	207_W	0.952	1.00
143_P	171_R	0.947	1.00
119_M	126_A	0.942	1.00
68_K	126_A	0.934	1.00
47_A	77_A	0.928	1.00
137_L	187_I	0.910	1.00
74_F	159_I	0.909	1.00
102_D	132_R	0.905	1.00
141_V	189_A	0.889	1.00
77_A	81_L	0.886	1.00
175_L	178_A	0.881	1.00
34_D	92_N	0.878	1.00
135_L	203_T	0.875	1.00
26_T	29_Q	0.875	1.00
147_L	150_A	0.874	1.00
202_T	205_T	0.870	0.99
35_M	95_W	0.869	0.99
124_R	127_V	0.866	0.99
86_I	96_V	0.861	0.99
103_L	184_I	0.859	0.99
17_T	21_N	0.858	0.99
181_D	184_I	0.849	0.99
148_K	152_A	0.846	0.99
7_V	183_S	0.833	0.99
41_P	78_R	0.831	0.99
40_E	81_L	0.830	0.99
106_Q	177_L	0.824	0.99
119_M	122_T	0.814	0.99
140_D	186_T	0.813	0.99
22_V	25_E	0.813	0.99
49_K	56_D	0.811	0.99
202_T	206_H	0.808	0.99
82_V	87_K	0.805	0.99
11_L	146_G	0.802	0.99
5_Y	101_H	0.797	0.99
36_V	85_V	0.795	0.99
82_V	86_I	0.792	0.99
54_V	74_F	0.790	0.99
187_I	200_I	0.788	0.99
51_R	55_L	0.786	0.99
137_L	204_V	0.776	0.99
12_E	167_F	0.775	0.99
144_E	164_F	0.772	0.99
8_I	200_I	0.771	0.99
102_D	124_R	0.767	0.99
113_R	166_F	0.765	0.99
107_A	173_R	0.755	0.99
116_D	119_M	0.749	0.98
21_N	24_V	0.746	0.98
31_G	34_D	0.744	0.98
81_L	98_G	0.743	0.98
136_T	183_S	0.743	0.98
68_K	83_E	0.743	0.98
75_Y	120_L	0.741	0.98
35_M	94_T	0.740	0.98
21_N	37_F	0.740	0.98
116_D	120_L	0.734	0.98
8_I	20_R	0.730	0.98
169_R	172_A	0.726	0.98
66_T	69_A	0.723	0.98
147_L	151_R	0.722	0.98
121_A	181_D	0.717	0.98
195_A	198_D	0.714	0.98
56_D	62_D	0.706	0.98
19_A	23_V	0.705	0.98
107_A	112_G	0.704	0.98
78_R	105_T	0.703	0.98
173_R	176_E	0.703	0.98
28_E	34_D	0.702	0.98
106_Q	117_Q	0.700	0.98
121_A	132_R	0.696	0.98
71_V	123_L	0.696	0.98
117_Q	176_E	0.695	0.98
35_M	97_I	0.690	0.97
47_A	80_Q	0.688	0.97
31_G	35_M	0.686	0.97
108_Y	166_F	0.686	0.97
156_L	161_Q	0.677	0.97
8_I	139_L	0.672	0.97
118_H	121_A	0.670	0.97
11_L	138_Y	0.667	0.97
89_A	92_N	0.667	0.97
196_V	199_A	0.663	0.97
178_A	184_I	0.662	0.97
7_V	184_I	0.660	0.97
88_P	92_N	0.656	0.97
4_K	134_D	0.651	0.96
68_K	129_G	0.648	0.96
49_K	62_D	0.645	0.96
69_A	79_V	0.644	0.96
19_A	196_V	0.638	0.96
114_G	169_R	0.635	0.96
72_L	123_L	0.629	0.96
143_P	168_N	0.629	0.96
74_F	77_A	0.628	0.96
17_T	39_R	0.628	0.96
5_Y	90_L	0.615	0.95
71_V	120_L	0.611	0.95
28_E	37_F	0.609	0.95
13_G	150_A	0.607	0.95
151_R	156_L	0.607	0.95
102_D	128_L	0.607	0.95
122_T	126_A	0.606	0.95
150_A	154_G	0.603	0.94
75_Y	127_V	0.599	0.94
112_G	116_D	0.598	0.94
19_A	189_A	0.598	0.94
8_I	137_L	0.596	0.94
7_V	136_T	0.596	0.94
69_A	76_A	0.595	0.94
62_D	65_I	0.595	0.94
125_D	132_R	0.592	0.94
4_K	207_W	0.592	0.94
107_A	170_T	0.590	0.94
9_E	108_Y	0.585	0.94
8_I	19_A	0.583	0.93
191_Q	196_V	0.582	0.93
101_H	131_F	0.581	0.93
143_P	146_G	0.581	0.93
102_D	127_V	0.581	0.93
144_E	148_K	0.581	0.93
112_G	170_T	0.579	0.93
166_F	170_T	0.577	0.93
6_I	134_D	0.576	0.93
39_R	48_E	0.571	0.93
105_T	109_Q	0.571	0.93
71_V	105_T	0.567	0.92
157_D	161_Q	0.562	0.92
56_D	63_E	0.560	0.92
14_A	146_G	0.560	0.92
117_Q	121_A	0.557	0.92
193_L	196_V	0.556	0.92
162_E	166_F	0.555	0.92
106_Q	121_A	0.555	0.92
42_G	55_L	0.554	0.92
40_E	78_R	0.554	0.92
136_T	184_I	0.553	0.92
19_A	139_L	0.547	0.91
104_S	174_Y	0.542	0.91
3_S	93_G	0.542	0.91
41_P	74_F	0.542	0.91
89_A	96_V	0.540	0.91
57_I	74_F	0.539	0.90
39_R	43_G	0.537	0.90
105_T	120_L	0.535	0.90
102_D	105_T	0.534	0.90
47_A	50_L	0.532	0.90
27_L	97_I	0.531	0.90
23_V	197_M	0.530	0.90
9_E	138_Y	0.528	0.90
46_L	49_K	0.524	0.89
46_L	62_D	0.523	0.89
66_T	80_Q	0.522	0.89
71_V	102_D	0.521	0.89
22_V	200_I	0.520	0.89
57_I	63_E	0.519	0.89
6_I	204_V	0.518	0.89
127_V	130_D	0.516	0.89
112_G	166_F	0.513	0.88
38_T	96_V	0.512	0.88
12_E	150_A	0.512	0.88
103_L	177_L	0.511	0.88
172_A	175_L	0.510	0.88
74_F	167_F	0.510	0.88
77_A	101_H	0.508	0.88
159_I	162_E	0.504	0.87
42_G	51_R	0.501	0.87
198_D	201_R	0.501	0.87
200_I	204_V	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	0.8075	100	0.366	Contact Map
4edhA	2	0.9812	100	0.407	Contact Map
2plrA	2	0.9296	100	0.411	Contact Map
4tmkA	3	0.9812	100	0.414	Contact Map
2yogA	1	0.8779	100	0.42	Contact Map
1nn5A	2	0.9108	100	0.431	Contact Map
1p6xA	3	0.9624	100	0.434	Contact Map
1gtvA	2	0.9061	100	0.435	Contact Map
4eaqA	2	0.9343	100	0.438	Contact Map
4hlcA	2	0.9249	100	0.445	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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