THID - ECOLI - GREMLIN Contacts

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THID - Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase

UniProt:	P76422	Sequences: MKRINALTIAGTDPSGGAGIQADLKTFSALGAYGCSVITALVAQNTRGVQSVYRIEPDFVAAQLDSVFSDVRIDTTKIGMLAETDIVEAVAERLQRYQIQNVVLDTVMLAKSGDPLLSPSAVATLRSRLLPQVSLITPNLPEAAALLDAPHARTEQEMLEQGRSLLAMGCGAVLMKGGHLDDEQSPDWLFTREGEQRFTAPRIMTKNTHGTGCTLSAALAALRPRHTNWADTVQEAKSWLSSALAQADTLEVGHGIGPVHHFHAWW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG14068
Length:	266 (248)
Sequences:	6226 (4448)
Seq/√Len:	282.4

ECOLI - THID PDXK PDXY
BACSU - THID PDXK
HALSA - Q9HMC6
SULSO - Q97W49 Q981E3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
95_Q	132_Q	3.248	1.00
24_L	34_G	2.882	1.00
149_A	164_S	2.758	1.00
88_E	128_R	2.742	1.00
154_T	157_E	2.726	1.00
50_Q	66_S	2.701	1.00
53_Y	56_E	2.686	1.00
30_L	222_L	2.610	1.00
228_N	231_D	2.551	1.00
174_L	215_L	2.530	1.00
222_L	227_T	2.525	1.00
65_D	93_R	2.366	1.00
81_L	90_V	2.240	1.00
143_A	175_M	2.215	1.00
78_I	104_L	2.149	1.00
61_A	92_E	2.117	1.00
41_L	59_F	2.091	1.00
115_P	119_P	2.068	1.00
32_A	221_A	2.049	1.00
196_Q	230_A	2.045	1.00
123_A	127_S	2.041	1.00
6_A	32_A	1.977	1.00
27_F	221_A	1.976	1.00
184_Q	199_T	1.974	1.00
41_L	55_I	1.945	1.00
60_V	86_I	1.932	1.00
222_L	225_R	1.920	1.00
152_A	161_Q	1.911	1.00
27_F	34_G	1.891	1.00
8_T	36_S	1.889	1.00
51_S	62_A	1.882	1.00
12_T	21_Q	1.829	1.00
110_A	114_D	1.826	1.00
27_F	32_A	1.781	1.00
95_Q	128_R	1.768	1.00
54_R	82_A	1.728	1.00
172_A	229_W	1.716	1.00
155_E	197_R	1.714	1.00
61_A	89_A	1.711	1.00
144_A	151_H	1.692	1.00
227_T	235_E	1.681	1.00
93_R	96_R	1.637	1.00
219_L	233_V	1.636	1.00
153_R	157_E	1.622	1.00
64_L	93_R	1.592	1.00
237_K	241_S	1.584	1.00
222_L	235_E	1.569	1.00
6_A	27_F	1.548	1.00
61_A	93_R	1.533	1.00
8_T	27_F	1.527	1.00
94_L	102_V	1.523	1.00
159_L	195_E	1.521	1.00
241_S	245_A	1.517	1.00
65_D	69_S	1.510	1.00
37_V	64_L	1.495	1.00
21_Q	36_S	1.489	1.00
104_L	133_V	1.461	1.00
186_P	197_R	1.458	1.00
5_N	74_D	1.456	1.00
166_L	190_F	1.446	1.00
87_V	125_L	1.440	1.00
185_S	237_K	1.439	1.00
57_P	89_A	1.430	1.00
78_I	102_V	1.427	1.00
172_A	191_T	1.424	1.00
242_S	245_A	1.417	1.00
136_I	165_L	1.397	1.00
162_G	175_M	1.396	1.00
201_P	245_A	1.394	1.00
50_Q	69_S	1.377	1.00
159_L	197_R	1.371	1.00
84_T	120_S	1.350	1.00
101_N	134_S	1.345	1.00
117_L	121_A	1.338	1.00
5_N	35_C	1.322	1.00
144_A	152_A	1.321	1.00
20_I	38_I	1.314	1.00
162_G	190_F	1.305	1.00
147_L	165_L	1.298	1.00
54_R	83_E	1.293	1.00
198_F	234_Q	1.275	1.00
53_Y	59_F	1.254	1.00
5_N	71_V	1.249	1.00
134_S	171_G	1.235	1.00
149_A	160_E	1.233	1.00
37_V	60_V	1.215	1.00
200_A	237_K	1.214	1.00
68_F	96_R	1.204	1.00
196_Q	234_Q	1.203	1.00
124_T	128_R	1.195	1.00
12_T	42_V	1.190	1.00
58_D	62_A	1.178	1.00
115_P	122_V	1.175	1.00
190_F	195_E	1.171	1.00
68_F	73_I	1.169	1.00
164_S	167_A	1.167	1.00
103_V	220_A	1.157	1.00
200_A	241_S	1.145	1.00
5_N	72_R	1.142	1.00
83_E	86_I	1.137	1.00
26_T	214_T	1.129	1.00
91_A	128_R	1.128	1.00
188_W	197_R	1.128	1.00
57_P	85_D	1.124	1.00
55_I	59_F	1.113	1.00
65_D	96_R	1.112	1.00
6_A	224_P	1.111	1.00
227_T	231_D	1.109	1.00
166_L	192_R	1.107	1.00
87_V	124_T	1.103	1.00
223_R	229_W	1.097	1.00
46_T	70_D	1.094	1.00
135_L	229_W	1.090	1.00
92_E	128_R	1.086	1.00
81_L	87_V	1.078	1.00
144_A	161_Q	1.077	1.00
43_A	62_A	1.072	1.00
130_L	136_I	1.069	1.00
186_P	199_T	1.067	1.00
230_A	234_Q	1.067	1.00
158_M	188_W	1.064	1.00
155_E	159_L	1.063	1.00
30_L	218_A	1.062	1.00
126_R	146_L	1.050	1.00
159_L	163_R	1.043	1.00
147_L	164_S	1.043	1.00
89_A	92_E	1.043	1.00
12_T	38_I	1.032	1.00
126_R	168_M	1.032	1.00
163_R	167_A	1.023	1.00
30_L	221_A	1.021	1.00
26_T	218_A	1.019	1.00
88_E	124_T	1.017	1.00
76_T	99_I	1.015	1.00
231_D	234_Q	1.014	1.00
26_T	30_L	1.011	1.00
103_V	223_R	1.005	1.00
160_E	164_S	1.002	1.00
234_Q	238_S	1.001	1.00
172_A	189_L	0.997	1.00
32_A	225_R	0.993	1.00
91_A	132_Q	0.991	1.00
43_A	59_F	0.990	1.00
9_I	90_V	0.979	1.00
184_Q	201_P	0.976	1.00
192_R	195_E	0.975	1.00
35_C	73_I	0.971	1.00
115_P	145_A	0.970	1.00
135_L	219_L	0.965	1.00
59_F	62_A	0.962	1.00
84_T	88_E	0.956	1.00
75_T	220_A	0.948	1.00
109_L	145_A	0.945	1.00
198_F	233_V	0.943	1.00
84_T	124_T	0.943	1.00
51_S	59_F	0.941	1.00
35_C	71_V	0.938	1.00
135_L	174_L	0.935	1.00
68_F	99_I	0.933	1.00
136_I	173_V	0.933	1.00
166_L	173_V	0.932	1.00
47_R	254_H	0.931	1.00
247_A	250_L	0.927	1.00
160_E	163_R	0.923	1.00
40_A	80_M	0.920	1.00
194_G	230_A	0.912	1.00
4_I	74_D	0.910	1.00
126_R	148_D	0.894	1.00
122_V	126_R	0.893	1.00
68_F	93_R	0.892	1.00
85_D	88_E	0.892	1.00
92_E	96_R	0.890	1.00
214_T	239_W	0.888	1.00
219_L	236_A	0.887	1.00
82_A	86_I	0.882	1.00
15_S	42_V	0.880	1.00
157_E	160_E	0.877	1.00
155_E	186_P	0.875	1.00
189_L	198_F	0.875	1.00
166_L	170_C	0.869	1.00
242_S	246_Q	0.868	1.00
134_S	229_W	0.868	1.00
87_V	117_L	0.866	1.00
12_T	36_S	0.865	1.00
208_T	244_L	0.863	1.00
155_E	188_W	0.862	1.00
134_S	172_A	0.861	1.00
207_N	251_E	0.857	1.00
198_F	237_K	0.857	1.00
189_L	233_V	0.850	1.00
203_I	241_S	0.849	1.00
122_V	145_A	0.844	1.00
187_D	237_K	0.831	1.00
5_N	73_I	0.827	1.00
158_M	180_L	0.825	1.00
174_L	189_L	0.822	1.00
30_L	225_R	0.821	1.00
191_T	195_E	0.818	1.00
203_I	244_L	0.815	0.99
218_A	239_W	0.808	0.99
135_L	172_A	0.807	0.99
185_S	202_R	0.801	0.99
14_P	42_V	0.784	0.99
61_A	65_D	0.784	0.99
94_L	99_I	0.781	0.99
62_A	66_S	0.780	0.99
191_T	196_Q	0.779	0.99
32_A	224_P	0.778	0.99
14_P	36_S	0.776	0.99
57_P	61_A	0.773	0.99
149_A	157_E	0.773	0.99
238_S	242_S	0.767	0.99
62_A	65_D	0.760	0.99
164_S	168_M	0.760	0.99
78_I	81_L	0.759	0.99
123_A	126_R	0.758	0.99
191_T	194_G	0.757	0.99
15_S	71_V	0.748	0.99
14_P	43_A	0.748	0.99
156_Q	159_L	0.747	0.99
223_R	226_H	0.745	0.99
223_R	232_T	0.739	0.99
6_A	221_A	0.737	0.99
17_G	209_H	0.731	0.99
35_C	67_V	0.730	0.99
27_F	217_A	0.726	0.99
140_L	144_A	0.725	0.99
98_Q	101_N	0.722	0.99
135_L	233_V	0.719	0.99
140_L	180_L	0.716	0.99
7_L	35_C	0.713	0.99
11_G	39_T	0.711	0.99
77_K	217_A	0.710	0.99
139_N	142_E	0.709	0.99
166_L	172_A	0.705	0.99
130_L	170_C	0.703	0.98
231_D	235_E	0.702	0.98
22_A	214_T	0.695	0.98
227_T	232_T	0.690	0.98
21_Q	24_L	0.690	0.98
27_F	220_A	0.690	0.98
44_Q	48_G	0.688	0.98
141_P	179_H	0.688	0.98
40_A	54_R	0.684	0.98
50_Q	62_A	0.683	0.98
60_V	89_A	0.675	0.98
91_A	129_L	0.675	0.98
175_M	188_W	0.674	0.98
133_V	136_I	0.673	0.98
78_I	216_S	0.672	0.98
57_P	60_V	0.670	0.98
91_A	95_Q	0.669	0.98
152_A	158_M	0.663	0.98
166_L	171_G	0.661	0.98
25_K	33_Y	0.660	0.98
44_Q	49_V	0.659	0.98
12_T	20_I	0.656	0.98
68_F	97_Y	0.656	0.98
10_A	23_D	0.653	0.98
83_E	118_S	0.652	0.98
93_R	97_Y	0.651	0.98
240_L	244_L	0.651	0.98
88_E	127_S	0.651	0.98
5_N	252_V	0.650	0.97
153_R	181_D	0.647	0.97
77_K	216_S	0.647	0.97
39_T	86_I	0.645	0.97
108_M	117_L	0.643	0.97
189_L	229_W	0.642	0.97
76_T	102_V	0.641	0.97
225_R	235_E	0.640	0.97
228_N	232_T	0.640	0.97
89_A	93_R	0.637	0.97
80_M	116_L	0.636	0.97
26_T	239_W	0.632	0.97
113_G	116_L	0.632	0.97
152_A	157_E	0.631	0.97
29_A	239_W	0.628	0.97
13_D	19_G	0.628	0.97
110_A	116_L	0.628	0.97
12_T	41_L	0.628	0.97
78_I	94_L	0.626	0.97
15_S	33_Y	0.625	0.97
76_T	94_L	0.618	0.97
72_R	100_Q	0.615	0.97
92_E	95_Q	0.609	0.96
8_T	216_S	0.609	0.96
168_M	171_G	0.608	0.96
82_A	118_S	0.608	0.96
104_L	129_L	0.608	0.96
6_A	220_A	0.607	0.96
143_A	161_Q	0.606	0.96
65_D	97_Y	0.606	0.96
166_L	169_G	0.600	0.96
237_K	240_L	0.600	0.96
163_R	190_F	0.599	0.96
174_L	233_V	0.599	0.96
235_E	238_S	0.595	0.96
71_V	74_D	0.595	0.96
88_E	92_E	0.594	0.96
56_E	59_F	0.593	0.96
91_A	104_L	0.591	0.96
87_V	129_L	0.588	0.96
87_V	121_A	0.586	0.95
125_L	130_L	0.584	0.95
171_G	192_R	0.583	0.95
247_A	251_E	0.581	0.95
30_L	235_E	0.578	0.95
146_L	165_L	0.576	0.95
9_I	64_L	0.575	0.95
20_I	36_S	0.575	0.95
143_A	165_L	0.575	0.95
8_T	34_G	0.571	0.95
103_V	135_L	0.571	0.95
37_V	67_V	0.569	0.95
51_S	58_D	0.567	0.95
68_F	76_T	0.562	0.94
166_L	191_T	0.562	0.94
46_T	255_G	0.560	0.94
69_S	97_Y	0.557	0.94
226_H	232_T	0.555	0.94
46_T	253_G	0.553	0.94
23_D	77_K	0.552	0.94
44_Q	209_H	0.550	0.94
135_L	236_A	0.549	0.94
105_D	138_P	0.548	0.94
149_A	161_Q	0.547	0.93
141_P	144_A	0.547	0.93
214_T	243_A	0.546	0.93
143_A	152_A	0.546	0.93
7_L	37_V	0.544	0.93
155_E	199_T	0.542	0.93
109_L	114_D	0.542	0.93
163_R	166_L	0.542	0.93
128_R	132_Q	0.539	0.93
140_L	152_A	0.539	0.93
25_K	28_S	0.538	0.93
162_G	173_V	0.538	0.93
109_L	115_P	0.532	0.92
105_D	139_N	0.531	0.92
40_A	82_A	0.531	0.92
159_L	190_F	0.531	0.92
102_V	132_Q	0.530	0.92
233_V	236_A	0.530	0.92
190_F	193_E	0.529	0.92
239_W	243_A	0.527	0.92
104_L	125_L	0.525	0.92
189_L	230_A	0.525	0.92
60_V	64_L	0.523	0.92
128_R	131_P	0.523	0.92
18_A	209_H	0.523	0.92
75_T	216_S	0.522	0.92
156_Q	160_E	0.518	0.91
163_R	195_E	0.517	0.91
44_Q	66_S	0.516	0.91
70_D	253_G	0.515	0.91
138_P	142_E	0.514	0.91
66_S	69_S	0.513	0.91
147_L	173_V	0.513	0.91
111_K	211_T	0.510	0.91
47_R	50_Q	0.508	0.91
236_A	240_L	0.505	0.90
211_T	240_L	0.505	0.90
75_T	224_P	0.504	0.90
140_L	158_M	0.504	0.90
126_R	130_L	0.504	0.90
45_N	50_Q	0.503	0.90
45_N	66_S	0.502	0.90
38_I	41_L	0.502	0.90
13_D	23_D	0.501	0.90
67_V	73_I	0.500	0.90
5_N	33_Y	0.500	0.90

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
3rm5A	2	0.9549	100	0.326	Contact Map
2i5bA	2	0.9925	100	0.331	Contact Map
1jxhA	2	0.9248	100	0.377	Contact Map
1ub0A	2	0.9248	100	0.382	Contact Map
3h74A	2	0.9774	100	0.384	Contact Map
4yl5A	2	0.8459	100	0.384	Contact Map
2yxtA	3	0.9774	100	0.397	Contact Map
2ddmA	2	0.9662	100	0.407	Contact Map
3mbhA	5	0.9812	100	0.408	Contact Map
3pzsA	2	0.9812	100	0.41	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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