KTHY1 - SULSO - GREMLIN Contacts

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KTHY1 - Probable thymidylate kinase 1

UniProt:	Q9UXG7	Sequences: MQKLIAIEGIDGSGKTTLANLLKEHLESKMKLNVIVTREPFSEDIIKLIEKIGWNDPILLVLLFAADREIHVNWLSKIKDADLIILDRYYFSSIAYQGALGVDEQWIKMVNSYFPKPDMVILLDLPIEVAISRIKNDKFNFEEKIKSLAKVREKYLKLAKEYNFYVVDASKDKNEVLEQAIKIIQKNLF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	189 (183)
Sequences:	4653 (3474)
Seq/√Len:	256.8

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
171_K	179_Q	3.697	1.00
25_H	181_I	3.165	1.00
33_N	82_D	3.119	1.00
123_L	169_A	2.900	1.00
21_L	177_L	2.799	1.00
124_D	152_R	2.449	1.00
23_K	27_E	2.417	1.00
171_K	175_E	2.375	1.00
129_V	132_S	2.137	1.00
152_R	156_L	2.102	1.00
172_D	175_E	2.054	1.00
167_V	176_V	2.048	1.00
70_I	74_W	2.032	1.00
35_I	82_D	1.977	1.00
37_T	71_H	1.945	1.00
139_F	142_E	1.911	1.00
19_A	85_I	1.906	1.00
19_A	36_V	1.887	1.00
18_L	180_A	1.825	1.00
32_L	83_L	1.817	1.00
124_D	156_L	1.808	1.00
3_K	83_L	1.795	1.00
23_K	36_V	1.789	1.00
18_L	177_L	1.769	1.00
29_K	185_Q	1.768	1.00
165_Y	183_I	1.735	1.00
156_L	166_V	1.694	1.00
126_P	170_S	1.688	1.00
13_S	125_L	1.635	1.00
25_H	29_K	1.622	1.00
177_L	181_I	1.614	1.00
91_F	163_N	1.577	1.00
121_I	183_I	1.560	1.00
122_L	164_F	1.503	1.00
125_L	129_V	1.495	1.00
23_K	85_I	1.489	1.00
109_M	112_S	1.482	1.00
4_L	86_L	1.461	1.00
18_L	21_L	1.450	1.00
122_L	166_V	1.378	1.00
48_L	51_K	1.375	1.00
159_A	166_V	1.350	1.00
157_K	161_E	1.335	1.00
153_E	157_K	1.326	1.00
56_D	73_N	1.298	1.00
6_A	86_L	1.297	1.00
25_H	177_L	1.295	1.00
121_I	180_A	1.289	1.00
22_L	184_I	1.280	1.00
47_K	67_D	1.279	1.00
149_A	153_E	1.272	1.00
25_H	185_Q	1.272	1.00
11_D	130_A	1.267	1.00
7_I	22_L	1.263	1.00
100_L	143_E	1.254	1.00
123_L	180_A	1.252	1.00
181_I	185_Q	1.249	1.00
129_V	170_S	1.247	1.00
145_I	149_A	1.246	1.00
108_K	161_E	1.244	1.00
24_E	28_S	1.235	1.00
35_I	77_K	1.232	1.00
10_I	148_L	1.202	1.00
77_K	82_D	1.199	1.00
6_A	91_F	1.199	1.00
91_F	120_V	1.196	1.00
21_L	174_N	1.191	1.00
49_I	63_L	1.175	1.00
119_M	165_Y	1.167	1.00
130_A	134_I	1.159	1.00
167_V	183_I	1.155	1.00
90_Y	111_N	1.153	1.00
128_E	149_A	1.152	1.00
72_V	115_P	1.151	1.00
69_E	73_N	1.150	1.00
65_A	111_N	1.150	1.00
61_V	65_A	1.138	1.00
157_K	160_K	1.138	1.00
21_L	173_K	1.138	1.00
127_I	145_I	1.134	1.00
8_E	92_S	1.132	1.00
105_Q	109_M	1.112	1.00
158_L	164_F	1.106	1.00
51_K	55_N	1.102	1.00
177_L	180_A	1.099	1.00
126_P	129_V	1.098	1.00
17_T	173_K	1.094	1.00
179_Q	182_K	1.088	1.00
20_N	24_E	1.086	1.00
122_L	159_A	1.079	1.00
125_L	130_A	1.077	1.00
29_K	181_I	1.067	1.00
43_E	46_I	1.066	1.00
56_D	69_E	1.065	1.00
146_K	149_A	1.063	1.00
134_I	137_D	1.060	1.00
122_L	156_L	1.050	1.00
58_I	106_W	1.049	1.00
146_K	150_K	1.043	1.00
106_W	113_Y	1.042	1.00
116_K	162_Y	1.036	1.00
36_V	85_I	1.014	1.00
183_I	186_K	1.014	1.00
121_I	165_Y	1.012	1.00
108_K	112_S	1.011	1.00
27_E	34_V	1.009	1.00
173_K	177_L	1.002	1.00
179_Q	183_I	1.001	1.00
23_K	34_V	0.994	1.00
37_T	86_L	0.981	1.00
122_L	152_R	0.980	1.00
65_A	90_Y	0.976	1.00
46_I	67_D	0.972	1.00
178_E	182_K	0.967	1.00
175_E	179_Q	0.962	1.00
18_L	173_K	0.959	1.00
65_A	93_S	0.957	1.00
67_D	71_H	0.955	1.00
124_D	166_V	0.951	1.00
24_E	27_E	0.935	1.00
58_I	113_Y	0.934	1.00
127_I	152_R	0.923	1.00
131_I	134_I	0.917	1.00
64_F	141_F	0.916	1.00
119_M	183_I	0.912	1.00
90_Y	116_K	0.904	1.00
25_H	178_E	0.897	1.00
95_A	99_A	0.891	1.00
91_F	164_F	0.888	1.00
111_N	114_F	0.883	1.00
99_A	150_K	0.878	1.00
131_I	145_I	0.877	1.00
168_D	171_K	0.876	1.00
29_K	32_L	0.866	1.00
33_N	80_D	0.863	1.00
121_I	167_V	0.859	1.00
48_L	55_N	0.858	0.99
25_H	28_S	0.852	0.99
94_I	158_L	0.841	0.99
6_A	163_N	0.840	0.99
182_K	185_Q	0.840	0.99
21_L	24_E	0.836	0.99
132_S	136_N	0.834	0.99
100_L	147_S	0.828	0.99
65_A	107_I	0.823	0.99
39_E	71_H	0.822	0.99
4_L	89_Y	0.822	0.99
58_I	73_N	0.814	0.99
95_A	154_K	0.808	0.99
156_L	159_A	0.807	0.99
120_V	163_N	0.802	0.99
75_L	84_I	0.801	0.99
16_T	20_N	0.798	0.99
94_I	104_E	0.796	0.99
20_N	36_V	0.793	0.99
10_I	130_A	0.793	0.99
125_L	169_A	0.788	0.99
103_D	107_I	0.784	0.99
11_D	148_L	0.783	0.99
101_G	150_K	0.773	0.99
167_V	180_A	0.763	0.99
61_V	107_I	0.759	0.99
108_K	116_K	0.757	0.99
53_G	64_F	0.757	0.99
131_I	135_K	0.752	0.99
108_K	162_Y	0.750	0.99
7_I	180_A	0.750	0.99
154_K	157_K	0.750	0.99
175_E	178_E	0.747	0.99
27_E	33_N	0.744	0.99
72_V	75_L	0.737	0.98
40_P	68_R	0.737	0.98
99_A	151_V	0.735	0.98
150_K	153_E	0.734	0.98
182_K	186_K	0.724	0.98
56_D	59_L	0.720	0.98
34_V	82_D	0.719	0.98
18_L	22_L	0.719	0.98
7_I	19_A	0.714	0.98
128_E	145_I	0.712	0.98
71_H	86_L	0.712	0.98
159_A	164_F	0.711	0.98
62_L	110_V	0.704	0.98
20_N	23_K	0.704	0.98
94_I	108_K	0.704	0.98
46_I	70_I	0.700	0.98
60_L	100_L	0.696	0.98
10_I	122_L	0.694	0.98
105_Q	108_K	0.683	0.98
89_Y	115_P	0.680	0.97
121_I	184_I	0.680	0.97
176_V	179_Q	0.677	0.97
34_V	85_I	0.672	0.97
112_S	116_K	0.671	0.97
99_A	147_S	0.671	0.97
104_E	154_K	0.670	0.97
96_Y	147_S	0.668	0.97
7_I	18_L	0.667	0.97
104_E	157_K	0.664	0.97
77_K	80_D	0.659	0.97
6_A	164_F	0.657	0.97
31_K	34_V	0.656	0.97
143_E	147_S	0.656	0.97
34_V	83_L	0.654	0.97
61_V	110_V	0.653	0.97
103_D	106_W	0.648	0.97
68_R	93_S	0.647	0.97
76_S	80_D	0.644	0.96
3_K	118_D	0.644	0.96
147_S	151_V	0.640	0.96
16_T	38_R	0.639	0.96
59_L	66_A	0.638	0.96
104_E	108_K	0.638	0.96
158_L	162_Y	0.634	0.96
50_E	54_W	0.634	0.96
4_L	78_I	0.632	0.96
12_G	134_I	0.629	0.96
46_I	49_I	0.627	0.96
173_K	176_V	0.627	0.96
62_L	113_Y	0.624	0.96
59_L	69_E	0.616	0.95
18_L	169_A	0.614	0.95
27_E	36_V	0.606	0.95
38_R	47_K	0.606	0.95
39_E	68_R	0.606	0.95
110_V	113_Y	0.602	0.95
127_I	149_A	0.600	0.95
65_A	114_F	0.599	0.95
120_V	164_F	0.593	0.94
93_S	107_I	0.584	0.94
64_F	94_I	0.583	0.94
7_I	121_I	0.581	0.94
40_P	64_F	0.579	0.94
5_I	118_D	0.578	0.94
64_F	67_D	0.567	0.93
100_L	141_F	0.566	0.93
128_E	132_S	0.565	0.93
98_G	103_D	0.565	0.93
94_I	111_N	0.563	0.93
7_I	123_L	0.563	0.93
18_L	176_V	0.562	0.93
8_E	96_Y	0.558	0.92
77_K	84_I	0.552	0.92
68_R	111_N	0.552	0.92
90_Y	93_S	0.546	0.92
95_A	151_V	0.545	0.92
22_L	177_L	0.545	0.92
92_S	155_Y	0.544	0.91
44_D	48_L	0.541	0.91
37_T	84_I	0.540	0.91
18_L	123_L	0.537	0.91
106_W	109_M	0.535	0.91
109_M	113_Y	0.535	0.91
41_F	50_E	0.534	0.91
78_I	81_A	0.530	0.90
56_D	70_I	0.529	0.90
13_S	130_A	0.529	0.90
93_S	97_Q	0.528	0.90
127_I	130_A	0.522	0.90
105_Q	161_E	0.520	0.90
45_I	48_L	0.519	0.89
38_R	42_S	0.516	0.89
61_V	93_S	0.516	0.89
93_S	111_N	0.514	0.89
45_I	70_I	0.512	0.89
40_P	92_S	0.512	0.89
45_I	52_I	0.511	0.89
91_F	162_Y	0.508	0.88
8_E	122_L	0.507	0.88
171_K	176_V	0.506	0.88
92_S	96_Y	0.505	0.88
99_A	103_D	0.502	0.88
38_R	87_D	0.501	0.88
133_R	169_A	0.500	0.88

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	0.8466	100	0.377	Contact Map
2plrA	2	0.9894	100	0.393	Contact Map
2yogA	1	0.9365	100	0.402	Contact Map
1nn5A	2	0.963	100	0.417	Contact Map
1gtvA	2	0.9418	100	0.422	Contact Map
1p6xA	3	0.9894	100	0.433	Contact Map
3czqA	3	0.8783	100	0.439	Contact Map
4edhA	2	0.9947	100	0.441	Contact Map
1osnA	4	0.9524	100	0.448	Contact Map
4eaqA	2	0.9788	100	0.454	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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