THIM - BACSU - GREMLIN Contacts

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THIM - Hydroxyethylthiazole kinase

UniProt:	P39593	Sequences: MDAQSAAKCLTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAGALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAIRGNAAEIAHTVGVTDWLIKGVDAGEGGGDIIRLAQQAAQKLNTVIAITGEVDVIADTSHVYTLHNGHKLLTKVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQTADKGPGSFQIELLNKLSTVTEQDVQEWATIERVTVS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	272 (253)
Sequences:	1883 (1471)
Seq/√Len:	92.5

ECOLI - THIM
BACSU - THIM

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
119_A	208_C	3.686	1.00
181_Y	215_L	2.974	1.00
78_I	110_D	2.640	1.00
54_D	102_P	2.598	1.00
190_L	229_A	2.583	1.00
256_T	259_D	2.545	1.00
74_V	107_S	2.484	1.00
41_A	206_A	2.441	1.00
63_V	205_G	2.378	1.00
28_V	32_T	2.369	1.00
121_R	201_T	2.365	1.00
28_V	195_G	2.361	1.00
213_N	216_F	2.351	1.00
185_N	226_G	2.346	1.00
83_S	87_H	2.340	1.00
241_P	253_S	2.332	1.00
44_V	55_M	2.303	1.00
119_A	204_V	2.295	1.00
168_T	222_I	2.284	1.00
35_G	252_L	2.254	1.00
111_I	117_L	2.216	1.00
35_G	199_L	2.211	1.00
39_L	203_V	2.200	1.00
185_N	227_V	2.156	1.00
81_G	115_V	2.112	1.00
187_H	233_A	2.040	1.00
193_V	196_A	1.995	1.00
118_A	214_P	1.982	1.00
26_N	29_T	1.963	1.00
22_S	36_L	1.958	1.00
234_Q	263_W	1.925	1.00
42_S	142_D	1.911	1.00
50_E	71_K	1.847	1.00
231_L	251_K	1.834	1.00
207_F	224_S	1.824	1.00
247_E	250_N	1.822	1.00
22_S	202_S	1.808	1.00
36_L	202_S	1.755	1.00
185_N	230_Q	1.749	1.00
102_P	106_E	1.726	1.00
227_V	263_W	1.723	1.00
166_A	218_A	1.712	1.00
154_A	167_I	1.702	1.00
125_A	138_I	1.672	1.00
154_A	175_A	1.636	1.00
176_D	179_H	1.636	1.00
110_D	114_E	1.636	1.00
158_A	176_D	1.611	1.00
20_V	209_A	1.606	1.00
63_V	201_T	1.572	1.00
32_T	202_S	1.547	1.00
171_V	184_H	1.547	1.00
173_V	182_T	1.541	1.00
181_Y	219_I	1.538	1.00
36_L	206_A	1.531	1.00
55_M	101_T	1.530	1.00
47_Y	73_S	1.518	1.00
83_S	86_E	1.511	1.00
122_G	127_I	1.500	1.00
66_I	108_A	1.488	1.00
29_T	47_Y	1.486	1.00
251_K	254_T	1.481	1.00
31_F	245_Q	1.450	1.00
183_L	219_I	1.444	0.99
203_V	225_Y	1.408	0.99
49_K	75_E	1.400	0.99
119_A	218_A	1.398	0.99
23_I	62_L	1.383	0.99
243_S	246_I	1.382	0.99
158_A	175_A	1.376	0.99
31_F	199_L	1.366	0.99
47_Y	70_S	1.348	0.99
235_Q	247_E	1.345	0.99
171_V	182_T	1.333	0.99
9_C	207_F	1.330	0.99
12_A	16_H	1.327	0.99
108_A	130_T	1.312	0.99
158_A	177_T	1.311	0.99
93_L	108_A	1.307	0.99
127_I	165_I	1.302	0.99
22_S	63_V	1.276	0.99
155_Q	180_V	1.253	0.99
17_S	192_K	1.248	0.99
44_V	97_G	1.239	0.98
66_I	93_L	1.236	0.98
231_L	259_D	1.230	0.98
60_G	209_A	1.229	0.98
227_V	230_Q	1.221	0.98
156_Q	160_K	1.207	0.98
174_I	183_L	1.199	0.98
11_T	257_E	1.199	0.98
11_T	15_R	1.198	0.98
56_A	87_H	1.194	0.98
166_A	222_I	1.194	0.98
166_A	204_V	1.190	0.98
179_H	213_N	1.187	0.98
225_Y	248_L	1.153	0.98
64_L	81_G	1.141	0.97
91_V	115_V	1.141	0.97
242_G	249_L	1.140	0.97
151_I	155_Q	1.138	0.97
13_V	210_V	1.136	0.97
69_L	107_S	1.127	0.97
85_N	116_R	1.126	0.97
37_L	194_T	1.122	0.97
85_N	117_L	1.117	0.97
82_K	114_E	1.113	0.97
26_N	47_Y	1.108	0.97
204_V	221_A	1.103	0.97
20_V	61_A	1.089	0.96
236_T	247_E	1.088	0.96
210_V	217_A	1.086	0.96
211_E	217_A	1.082	0.96
106_E	110_D	1.076	0.96
16_H	60_G	1.073	0.96
48_A	103_F	1.070	0.96
29_T	73_S	1.059	0.96
61_A	205_G	1.052	0.96
53_A	83_S	1.051	0.96
170_E	188_K	1.049	0.96
91_V	117_L	1.048	0.96
85_N	115_V	1.040	0.95
56_A	83_S	1.030	0.95
54_D	57_K	1.018	0.95
70_S	73_S	1.018	0.95
121_R	191_T	1.017	0.95
74_V	103_F	1.013	0.95
226_G	229_A	1.013	0.95
225_Y	229_A	1.008	0.95
190_L	196_A	1.008	0.95
60_G	89_V	1.007	0.95
208_C	214_P	1.007	0.95
200_L	221_A	1.002	0.94
157_A	161_L	0.985	0.94
214_P	218_A	0.980	0.94
258_Q	262_E	0.974	0.94
157_A	165_I	0.972	0.93
164_V	218_A	0.966	0.93
159_Q	178_S	0.965	0.93
34_N	37_L	0.959	0.93
78_I	115_V	0.955	0.93
235_Q	251_K	0.951	0.93
203_V	248_L	0.950	0.93
120_I	130_T	0.946	0.93
46_A	51_E	0.946	0.93
49_K	79_I	0.946	0.93
243_S	247_E	0.943	0.92
200_L	222_I	0.935	0.92
30_N	194_T	0.933	0.92
112_I	117_L	0.933	0.92
10_L	260_V	0.931	0.92
21_H	46_A	0.931	0.92
46_A	55_M	0.923	0.92
9_C	211_E	0.919	0.91
20_V	205_G	0.916	0.91
10_L	207_F	0.915	0.91
117_L	120_I	0.906	0.91
224_S	255_V	0.904	0.91
243_S	250_N	0.897	0.90
125_A	128_A	0.895	0.90
244_F	248_L	0.894	0.90
174_I	222_I	0.891	0.90
175_A	180_V	0.890	0.90
49_K	72_E	0.886	0.90
239_K	247_E	0.883	0.90
196_A	229_A	0.882	0.90
133_V	156_Q	0.876	0.89
191_T	229_A	0.874	0.89
199_L	248_L	0.874	0.89
26_N	73_S	0.872	0.89
235_Q	239_K	0.871	0.89
245_Q	249_L	0.864	0.89
183_L	226_G	0.861	0.88
179_H	215_L	0.860	0.88
44_V	101_T	0.855	0.88
93_L	111_I	0.844	0.87
189_L	253_S	0.841	0.87
12_A	15_R	0.840	0.87
66_I	69_L	0.840	0.87
81_G	85_N	0.837	0.87
98_A	108_A	0.835	0.87
81_G	91_V	0.832	0.87
120_I	163_T	0.832	0.87
78_I	82_K	0.832	0.87
152_R	156_Q	0.827	0.86
240_G	254_T	0.827	0.86
196_A	248_L	0.827	0.86
131_V	157_A	0.826	0.86
9_C	220_A	0.824	0.86
78_I	81_G	0.816	0.86
93_L	117_L	0.814	0.86
204_V	218_A	0.812	0.85
151_I	182_T	0.811	0.85
176_D	215_L	0.808	0.85
124_A	143_A	0.807	0.85
187_H	191_T	0.802	0.85
69_L	74_V	0.800	0.85
50_E	103_F	0.794	0.84
192_K	253_S	0.790	0.84
53_A	79_I	0.788	0.84
29_T	32_T	0.784	0.83
103_F	107_S	0.784	0.83
116_R	162_N	0.782	0.83
173_V	180_V	0.779	0.83
27_V	68_T	0.779	0.83
201_T	204_V	0.777	0.83
187_H	226_G	0.776	0.83
75_E	79_I	0.776	0.83
128_A	150_I	0.776	0.83
57_K	83_S	0.776	0.83
259_D	262_E	0.776	0.83
81_G	111_I	0.773	0.82
26_N	70_S	0.771	0.82
191_T	196_A	0.767	0.82
52_V	56_A	0.763	0.82
188_K	191_T	0.763	0.82
57_K	87_H	0.762	0.82
203_V	252_L	0.762	0.82
64_L	91_V	0.761	0.81
236_T	239_K	0.760	0.81
242_G	246_I	0.751	0.81
56_A	89_V	0.751	0.81
143_A	147_G	0.750	0.81
13_V	220_A	0.750	0.81
32_T	63_V	0.747	0.80
30_N	34_N	0.747	0.80
85_N	91_V	0.746	0.80
259_D	263_W	0.740	0.80
155_Q	159_Q	0.735	0.79
228_A	252_L	0.735	0.79
189_L	241_P	0.734	0.79
21_H	76_A	0.732	0.79
59_A	89_V	0.730	0.79
200_L	225_Y	0.730	0.79
211_E	216_F	0.727	0.78
231_L	263_W	0.727	0.78
33_A	45_M	0.726	0.78
223_S	227_V	0.723	0.78
38_A	242_G	0.722	0.78
105_T	108_A	0.722	0.78
92_I	205_G	0.722	0.78
55_M	97_G	0.721	0.78
46_A	76_A	0.720	0.78
56_A	62_L	0.719	0.78
119_A	164_V	0.716	0.77
30_N	245_Q	0.713	0.77
13_V	206_A	0.710	0.77
137_L	144_G	0.706	0.76
215_L	219_I	0.703	0.76
183_L	223_S	0.700	0.76
32_T	199_L	0.699	0.76
154_A	173_V	0.699	0.76
32_T	195_G	0.698	0.76
35_G	203_V	0.693	0.75
32_T	36_L	0.691	0.75
251_K	259_D	0.690	0.75
44_V	59_A	0.686	0.74
175_A	215_L	0.683	0.74
46_A	73_S	0.682	0.74
62_L	91_V	0.681	0.74
199_L	249_L	0.674	0.73
151_I	173_V	0.668	0.72
193_V	232_A	0.667	0.72
118_A	163_T	0.665	0.72
78_I	114_E	0.662	0.72
130_T	161_L	0.661	0.72
105_T	109_R	0.661	0.72
199_L	225_Y	0.659	0.71
161_L	165_I	0.657	0.71
62_L	80_A	0.657	0.71
55_M	59_A	0.656	0.71
36_L	41_A	0.655	0.71
21_H	52_V	0.654	0.71
84_A	89_V	0.650	0.70
151_I	175_A	0.649	0.70
27_V	42_S	0.649	0.70
218_A	221_A	0.649	0.70
199_L	252_L	0.647	0.70
228_A	255_V	0.647	0.70
105_T	129_H	0.643	0.69
191_T	226_G	0.643	0.69
105_T	138_I	0.642	0.69
27_V	95_P	0.638	0.69
34_N	194_T	0.637	0.69
247_E	251_K	0.636	0.69
111_I	115_V	0.632	0.68
21_H	44_V	0.632	0.68
10_L	257_E	0.630	0.68
227_V	260_V	0.627	0.68
13_V	207_F	0.624	0.67
82_K	86_E	0.620	0.67
175_A	178_S	0.617	0.66
23_I	47_Y	0.616	0.66
22_S	200_L	0.614	0.66
156_Q	159_Q	0.614	0.66
128_A	153_L	0.613	0.66
39_L	252_L	0.609	0.65
20_V	71_K	0.606	0.65
112_I	115_V	0.605	0.65
31_F	249_L	0.605	0.65
52_V	83_S	0.604	0.65
164_V	214_P	0.603	0.65
222_I	226_G	0.602	0.64
28_V	199_L	0.600	0.64
56_A	80_A	0.594	0.63
55_M	100_A	0.593	0.63
187_H	190_L	0.591	0.63
97_G	141_V	0.590	0.63
8_K	12_A	0.588	0.63
106_E	109_R	0.588	0.63
36_L	121_R	0.585	0.62
167_I	175_A	0.583	0.62
19_L	140_G	0.581	0.62
21_H	56_A	0.581	0.62
28_V	31_F	0.580	0.62
22_S	201_T	0.580	0.62
124_A	150_I	0.579	0.61
95_P	121_R	0.578	0.61
231_L	234_Q	0.578	0.61
150_I	153_L	0.577	0.61
49_K	76_A	0.572	0.60
106_E	113_R	0.572	0.60
99_G	105_T	0.571	0.60
23_I	80_A	0.571	0.60
38_A	194_T	0.568	0.60
223_S	226_G	0.566	0.60
62_L	84_A	0.563	0.59
12_A	211_E	0.563	0.59
56_A	84_A	0.562	0.59
228_A	260_V	0.562	0.59
141_V	194_T	0.559	0.59
141_V	198_C	0.558	0.59
24_T	141_V	0.557	0.58
58_I	138_I	0.555	0.58
159_Q	215_L	0.554	0.58
51_E	104_R	0.549	0.57
189_L	233_A	0.548	0.57
120_I	161_L	0.547	0.57
9_C	216_F	0.546	0.57
28_V	63_V	0.545	0.57
49_K	71_K	0.544	0.57
257_E	261_Q	0.543	0.57
78_I	111_I	0.542	0.56
76_A	79_I	0.541	0.56
149_D	152_R	0.539	0.56
72_E	75_E	0.539	0.56
37_L	198_C	0.538	0.56
158_A	165_I	0.538	0.56
128_A	136_W	0.538	0.56
53_A	56_A	0.537	0.56
207_F	221_A	0.536	0.56
24_T	37_L	0.534	0.55
64_L	117_L	0.534	0.55
31_F	35_G	0.534	0.55
22_S	43_P	0.529	0.55
235_Q	254_T	0.527	0.54
29_T	70_S	0.527	0.54
195_G	199_L	0.525	0.54
53_A	82_K	0.524	0.54
21_H	55_M	0.523	0.54
64_L	252_L	0.517	0.53
236_T	241_P	0.514	0.53
166_A	174_I	0.513	0.52
78_I	107_S	0.512	0.52
10_L	13_V	0.512	0.52
125_A	144_G	0.511	0.52
82_K	115_V	0.511	0.52
70_S	97_G	0.510	0.52
24_T	198_C	0.510	0.52
201_T	205_G	0.510	0.52
124_A	167_I	0.509	0.52
134_T	137_L	0.509	0.52
258_Q	261_Q	0.508	0.52
96_V	141_V	0.507	0.52
92_I	208_C	0.506	0.51
46_A	97_G	0.506	0.51
246_I	253_S	0.503	0.51
21_H	62_L	0.503	0.51
38_A	198_C	0.501	0.51
64_L	115_V	0.500	0.51

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
1ekqA	3	0.9338	100	0.411	Contact Map
3dzvA	3	0.9412	100	0.413	Contact Map
3nl6A	4	0.9265	100	0.538	Contact Map
3hpdA	3	0.9301	100	0.555	Contact Map
3bgkA	3	0.864	99.9	0.728	Contact Map
2r3bA	3	0.864	99.9	0.73	Contact Map
3k5wA	4	0.8051	99.9	0.752	Contact Map
3rpzA	3	0.8493	99.9	0.754	Contact Map
3rssA	4	0.8529	99.9	0.762	Contact Map
2yxtA	3	0.9081	99.8	0.791	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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