THID - BACSU - GREMLIN Contacts

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THID - Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase

UniProt:	O31620	Sequences: MSIYKALTIAGSDSGGGAGIQADIKTFQELDVFGMSAITAVTAQNTLGVHGVHPLTVETLRQQIDAVAEDLRPDAVKTGMLWNADMIEEVARKIDEYGFNRVIVDPVMIAKGGASLLRDESVATLKELLIPRSYAITPNVPEAETLTGMTISSLDDRKKAAEQLVKMGAQHVIIKGGHQPEDNHITDLLFDGSMFMQITHPYINTKHTHGTGCTFAAALTAQTAKGDSIHQAFEVAANFVREAVENTLGIGSGHGPTNHFAFKRNSLNTSR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	271 (252)
Sequences:	6220 (4401)
Seq/√Len:	277.2

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_D	132_R	3.270	1.00
88_E	128_L	2.940	1.00
24_I	34_G	2.900	1.00
153_S	156_D	2.775	1.00
50_H	66_A	2.736	1.00
53_H	56_T	2.700	1.00
149_M	163_Q	2.694	1.00
30_L	222_Q	2.623	1.00
222_Q	227_D	2.558	1.00
173_I	215_F	2.549	1.00
228_S	231_Q	2.504	1.00
65_D	93_K	2.377	1.00
81_L	90_V	2.254	1.00
143_A	174_I	2.218	1.00
61_R	92_R	2.143	1.00
78_T	104_V	2.123	1.00
41_V	59_T	2.110	1.00
32_V	221_A	2.096	1.00
115_S	119_D	2.060	1.00
196_M	230_H	2.059	1.00
158_K	195_F	2.008	1.00
27_F	221_A	1.970	1.00
60_L	86_M	1.966	1.00
6_A	32_V	1.955	1.00
222_Q	225_K	1.928	1.00
41_V	55_L	1.923	1.00
51_G	62_Q	1.916	1.00
123_A	127_E	1.914	1.00
27_F	34_G	1.905	1.00
95_D	128_L	1.897	1.00
8_T	36_S	1.877	1.00
12_S	21_Q	1.851	1.00
101_R	134_Y	1.827	1.00
27_F	32_V	1.821	1.00
110_A	114_A	1.812	1.00
184_H	199_T	1.809	1.00
54_P	82_W	1.722	1.00
171_H	229_I	1.720	1.00
144_E	150_T	1.716	1.00
61_R	89_E	1.712	1.00
227_D	235_V	1.707	1.00
154_L	197_Q	1.698	1.00
64_I	93_K	1.651	1.00
219_L	233_F	1.646	1.00
93_K	96_E	1.640	1.00
151_I	160_A	1.583	1.00
152_S	156_D	1.576	1.00
237_A	241_R	1.569	1.00
222_Q	235_V	1.550	1.00
6_A	27_F	1.525	1.00
94_I	102_V	1.525	1.00
61_R	93_K	1.519	1.00
8_T	27_F	1.516	1.00
65_D	69_E	1.513	1.00
185_I	237_A	1.512	1.00
87_I	125_L	1.497	1.00
37_A	64_I	1.488	1.00
241_R	245_E	1.487	1.00
21_Q	36_S	1.480	1.00
57_V	89_E	1.476	1.00
5_K	74_D	1.474	1.00
161_A	174_I	1.470	1.00
165_V	190_F	1.464	1.00
50_H	69_E	1.453	1.00
78_T	102_V	1.453	1.00
242_E	245_E	1.443	1.00
104_V	133_S	1.438	1.00
84_A	120_E	1.426	1.00
201_P	245_E	1.426	1.00
136_I	164_L	1.401	1.00
186_T	197_Q	1.385	1.00
117_L	121_S	1.377	1.00
147_T	164_L	1.356	1.00
158_K	197_Q	1.352	1.00
20_I	38_I	1.343	1.00
5_K	35_M	1.329	1.00
198_I	234_E	1.303	1.00
144_E	151_I	1.287	1.00
190_F	195_F	1.280	1.00
54_P	83_N	1.258	1.00
53_H	59_T	1.254	1.00
12_S	42_T	1.243	1.00
161_A	190_F	1.236	1.00
5_K	71_L	1.233	1.00
200_H	237_A	1.224	1.00
68_A	96_E	1.219	1.00
149_M	159_K	1.216	1.00
92_R	128_L	1.215	1.00
134_Y	170_Q	1.210	1.00
5_K	72_R	1.196	1.00
227_D	231_Q	1.187	1.00
115_S	122_V	1.185	1.00
196_M	234_E	1.184	1.00
68_A	73_P	1.168	1.00
55_L	59_T	1.164	1.00
58_E	62_Q	1.156	1.00
200_H	241_R	1.154	1.00
103_I	220_T	1.153	1.00
26_T	214_T	1.144	1.00
83_N	86_M	1.144	1.00
57_V	85_D	1.144	1.00
37_A	60_L	1.140	1.00
6_A	224_A	1.137	1.00
46_T	70_D	1.133	1.00
188_L	197_Q	1.129	1.00
144_E	160_A	1.129	1.00
43_A	62_Q	1.123	1.00
163_Q	166_K	1.122	1.00
171_H	191_D	1.118	1.00
65_D	96_E	1.112	1.00
223_T	229_I	1.111	1.00
81_L	87_I	1.103	1.00
126_K	167_M	1.101	1.00
162_E	166_K	1.096	1.00
30_L	218_A	1.091	1.00
158_K	162_E	1.083	1.00
135_A	229_I	1.078	1.00
87_I	124_T	1.072	1.00
147_T	163_Q	1.067	1.00
231_Q	234_E	1.066	1.00
230_H	234_E	1.056	1.00
126_K	146_L	1.054	1.00
124_T	128_L	1.052	1.00
43_A	59_T	1.041	1.00
89_E	92_R	1.035	1.00
30_L	221_A	1.032	1.00
130_I	136_I	1.031	1.00
12_S	38_I	1.027	1.00
186_T	199_T	1.027	1.00
159_K	163_Q	1.026	1.00
234_E	238_N	1.018	1.00
157_R	188_L	1.013	1.00
26_T	218_A	1.012	1.00
68_A	99_F	1.005	1.00
26_T	30_L	1.004	1.00
154_L	158_K	1.002	1.00
91_A	132_R	0.999	1.00
51_G	59_T	0.997	1.00
189_L	198_I	0.990	1.00
84_A	88_E	0.987	1.00
165_V	172_V	0.986	1.00
126_K	148_G	0.986	1.00
32_V	225_K	0.982	1.00
9_I	90_V	0.978	1.00
76_V	99_F	0.972	1.00
115_S	145_T	0.971	1.00
88_E	124_T	0.968	1.00
135_A	219_L	0.967	1.00
35_M	73_P	0.964	1.00
59_T	62_Q	0.964	1.00
103_I	223_T	0.961	1.00
198_I	233_F	0.956	1.00
84_A	124_T	0.954	1.00
109_I	145_T	0.952	1.00
194_M	230_H	0.952	1.00
4_Y	74_D	0.947	1.00
47_L	252_S	0.945	1.00
135_A	173_I	0.942	1.00
75_A	220_T	0.940	1.00
159_K	162_E	0.938	1.00
35_M	71_L	0.933	1.00
156_D	159_K	0.929	1.00
40_A	80_M	0.928	1.00
85_D	88_E	0.915	1.00
165_V	169_A	0.915	1.00
214_T	257_T	0.908	1.00
82_W	86_M	0.908	1.00
15_G	42_T	0.905	1.00
219_L	236_A	0.901	1.00
188_L	195_F	0.900	1.00
5_K	73_P	0.897	1.00
68_A	93_K	0.894	1.00
87_I	117_L	0.893	1.00
208_T	244_V	0.891	1.00
240_V	257_T	0.890	1.00
242_E	246_N	0.883	1.00
165_V	192_G	0.883	1.00
122_V	126_K	0.882	1.00
136_I	172_V	0.877	1.00
162_E	195_F	0.877	1.00
134_Y	171_H	0.876	1.00
171_H	189_L	0.875	1.00
122_V	145_T	0.874	1.00
12_S	36_S	0.871	1.00
134_Y	229_I	0.868	1.00
149_M	156_D	0.866	1.00
30_L	225_K	0.862	1.00
92_R	96_E	0.849	1.00
203_I	241_R	0.849	1.00
198_I	237_A	0.838	1.00
203_I	244_V	0.832	1.00
135_A	171_H	0.826	1.00
154_L	186_T	0.819	0.99
214_T	239_F	0.818	0.99
218_A	239_F	0.817	0.99
14_S	42_T	0.816	0.99
207_H	249_G	0.814	0.99
14_S	36_S	0.810	0.99
163_Q	167_M	0.806	0.99
189_L	233_F	0.800	0.99
123_A	126_K	0.792	0.99
78_T	81_L	0.791	0.99
184_H	201_P	0.789	0.99
32_V	224_A	0.789	0.99
94_I	99_F	0.787	0.99
205_T	255_G	0.786	0.99
223_T	226_G	0.784	0.99
62_Q	66_A	0.783	0.99
57_V	61_R	0.777	0.99
157_R	179_Q	0.777	0.99
50_H	62_Q	0.775	0.99
238_N	242_E	0.771	0.99
62_Q	65_D	0.768	0.99
17_G	209_H	0.767	0.99
154_L	188_L	0.762	0.99
111_K	254_H	0.761	0.99
173_I	189_L	0.761	0.99
207_H	255_G	0.760	0.99
165_V	171_H	0.758	0.99
227_D	232_A	0.755	0.99
6_A	221_A	0.752	0.99
155_D	158_K	0.751	0.99
77_K	217_A	0.750	0.99
11_G	39_T	0.748	0.99
135_A	233_F	0.746	0.99
124_T	127_E	0.743	0.99
35_M	67_V	0.741	0.99
61_R	65_D	0.741	0.99
14_S	43_A	0.737	0.99
27_F	220_T	0.732	0.99
27_F	217_A	0.730	0.99
174_I	188_L	0.725	0.99
223_T	232_A	0.725	0.99
140_V	179_Q	0.723	0.99
7_L	35_M	0.722	0.99
140_V	144_E	0.712	0.99
231_Q	235_V	0.704	0.98
46_T	251_G	0.701	0.98
15_G	71_L	0.701	0.98
21_Q	24_I	0.696	0.98
91_A	129_L	0.696	0.98
189_L	229_I	0.691	0.98
88_E	127_E	0.690	0.98
76_V	102_V	0.690	0.98
187_D	237_A	0.689	0.98
141_P	178_H	0.688	0.98
40_A	54_P	0.687	0.98
68_A	97_Y	0.682	0.98
143_A	160_A	0.680	0.98
60_L	89_E	0.679	0.98
225_K	235_V	0.676	0.98
139_N	142_E	0.674	0.98
10_A	23_D	0.672	0.98
57_V	60_L	0.672	0.98
130_I	169_A	0.669	0.98
240_V	244_V	0.666	0.98
83_N	118_R	0.662	0.98
77_K	216_A	0.660	0.98
191_D	194_M	0.660	0.98
12_S	41_V	0.659	0.98
8_T	216_A	0.659	0.98
78_T	216_A	0.658	0.98
22_A	214_T	0.658	0.98
12_S	20_I	0.656	0.97
78_T	94_I	0.655	0.97
205_T	208_T	0.653	0.97
185_I	202_Y	0.652	0.97
165_V	170_Q	0.651	0.97
91_A	95_D	0.650	0.97
89_E	93_K	0.648	0.97
133_S	136_I	0.646	0.97
125_L	130_I	0.646	0.97
113_G	116_L	0.645	0.97
26_T	239_F	0.644	0.97
87_I	121_S	0.642	0.97
110_A	116_L	0.642	0.97
39_T	86_M	0.642	0.97
6_A	220_T	0.641	0.97
165_V	191_D	0.640	0.97
93_K	97_Y	0.637	0.97
80_M	116_L	0.637	0.97
91_A	128_L	0.633	0.97
13_D	19_G	0.631	0.97
29_E	239_F	0.631	0.97
237_A	240_V	0.629	0.97
167_M	170_Q	0.627	0.97
97_Y	100_N	0.620	0.96
92_R	95_D	0.618	0.96
186_T	190_F	0.617	0.96
56_T	59_T	0.617	0.96
25_K	33_F	0.615	0.96
226_G	232_A	0.614	0.96
69_E	97_Y	0.612	0.96
191_D	195_F	0.611	0.96
76_V	94_I	0.611	0.96
82_W	118_R	0.610	0.96
5_K	250_I	0.610	0.96
165_V	168_G	0.607	0.96
149_M	160_A	0.606	0.96
104_V	129_L	0.604	0.96
151_I	157_R	0.603	0.96
9_I	64_I	0.600	0.96
71_L	74_D	0.598	0.96
65_D	97_Y	0.598	0.96
146_L	164_L	0.598	0.96
15_G	33_F	0.597	0.96
44_Q	209_H	0.594	0.96
140_V	151_I	0.594	0.96
30_L	235_V	0.592	0.95
23_D	77_K	0.589	0.95
45_N	50_H	0.588	0.95
46_T	253_G	0.586	0.95
91_A	104_V	0.583	0.95
66_A	69_E	0.579	0.95
228_S	232_A	0.578	0.95
44_Q	66_A	0.576	0.95
173_I	233_F	0.576	0.95
108_M	117_L	0.575	0.95
8_T	34_G	0.575	0.95
235_V	238_N	0.573	0.95
20_I	36_S	0.571	0.94
103_I	135_A	0.568	0.94
161_A	172_V	0.566	0.94
239_F	243_A	0.565	0.94
68_A	76_V	0.563	0.94
162_E	165_V	0.563	0.94
47_L	50_H	0.562	0.94
143_A	164_L	0.562	0.94
105_D	139_N	0.561	0.94
105_D	138_P	0.561	0.94
7_L	37_A	0.560	0.94
154_L	199_T	0.557	0.94
151_I	156_D	0.553	0.93
75_A	216_A	0.552	0.93
18_A	209_H	0.551	0.93
51_G	58_E	0.550	0.93
244_V	257_T	0.549	0.93
178_H	202_Y	0.549	0.93
141_P	144_E	0.548	0.93
87_I	129_L	0.546	0.93
102_V	132_R	0.546	0.93
236_A	240_V	0.545	0.93
37_A	67_V	0.545	0.93
162_E	190_F	0.543	0.93
135_A	236_A	0.541	0.93
88_E	92_R	0.541	0.93
198_I	230_H	0.541	0.93
104_V	125_L	0.539	0.93
109_I	115_S	0.538	0.93
189_L	230_H	0.536	0.92
155_D	159_K	0.536	0.92
214_T	243_A	0.535	0.92
38_I	41_V	0.533	0.92
173_I	219_L	0.532	0.92
25_K	28_Q	0.528	0.92
147_T	172_V	0.528	0.92
45_N	66_A	0.527	0.92
233_F	236_A	0.527	0.92
72_R	100_N	0.524	0.92
211_T	240_V	0.520	0.91
11_G	18_A	0.520	0.91
98_G	101_R	0.520	0.91
75_A	224_A	0.519	0.91
143_A	151_I	0.518	0.91
5_K	33_F	0.518	0.91
67_V	73_P	0.516	0.91
109_I	114_A	0.514	0.91
40_A	82_W	0.512	0.91
215_F	236_A	0.512	0.91
201_P	241_R	0.509	0.90
138_P	142_E	0.504	0.90
119_D	145_T	0.504	0.90
107_V	138_P	0.502	0.90
170_Q	192_G	0.502	0.90
13_D	18_A	0.501	0.90
15_G	44_Q	0.501	0.90
152_S	180_P	0.501	0.90
128_L	132_R	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
2i5bA	2	0.9889	100	0.33	Contact Map
3rm5A	2	0.9594	100	0.347	Contact Map
3h74A	2	0.9705	100	0.394	Contact Map
1ub0A	2	0.9077	100	0.396	Contact Map
4yl5A	2	0.8339	100	0.399	Contact Map
1jxhA	2	0.9004	100	0.407	Contact Map
3pzsA	2	0.9926	100	0.407	Contact Map
2ddmA	2	0.9483	100	0.412	Contact Map
2yxtA	3	0.9889	100	0.413	Contact Map
3mbhA	5	0.9852	100	0.414	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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