AROD - BACSU - GREMLIN Contacts

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AROD - 3-dehydroquinate dehydratase

UniProt:	P35146	Sequences: MNVLTIKGVSIGEGMPKIIIPLMGKTEKQILNEAEAVKLLNPDIVEWRVDVFEKANDREAVTKLISKLRKSLEDKLFLFTFRTHKEGGSMEMDESSYLALLESAIQTKDIDLIDIELFSGDANVKALVSLAEENNVYVVMSNHDFEKTPVKDEIISRLRKMQDLGAHIPKMAVMPNDTGDLLTLLDATYTMKTIYADRPIITMSMAATGLISRLSGEVFGSACTFGAGEEASAPGQIPVSELRSVLDILHKNTRG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	255 (228)
Sequences:	1387 (1093)
Seq/√Len:	72.4

ECOLI - AROD
BACSU - AROD
HALSA - AROD
SULSO - AROD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
78_L	139_V	4.241	1.00
226_G	242_L	3.312	1.00
188_T	202_T	3.178	1.00
19_I	223_C	3.122	1.00
144_D	147_K	3.022	1.00
49_V	79_F	3.022	1.00
154_I	171_M	2.953	1.00
175_P	204_S	2.797	1.00
201_I	223_C	2.519	1.00
151_K	190_T	2.182	1.00
225_F	232_S	2.028	1.00
189_Y	193_T	1.958	1.00
143_H	205_M	1.950	1.00
79_F	104_A	1.934	1.00
179_G	189_Y	1.915	1.00
191_M	196_A	1.885	1.00
78_L	112_L	1.879	1.00
83_T	97_Y	1.871	1.00
41_N	75_K	1.854	1.00
80_T	143_H	1.834	1.00
169_P	198_R	1.828	1.00
188_T	203_M	1.825	1.00
81_F	90_M	1.808	1.00
205_M	233_A	1.792	1.00
112_L	139_V	1.786	1.00
22_L	30_I	1.768	1.00
172_A	203_M	1.768	1.00
238_P	241_E	1.766	1.00
143_H	233_A	1.763	1.00
162_Q	196_A	1.754	1.00
233_A	236_Q	1.749	1.00
181_L	204_S	1.713	1.00
245_V	248_I	1.712	1.00
145_F	174_M	1.688	1.00
44_I	223_C	1.672	1.00
93_D	96_S	1.660	1.00
80_T	114_D	1.659	1.00
241_E	244_S	1.650	1.00
34_A	71_S	1.649	1.00
162_Q	191_M	1.616	0.99
154_I	187_A	1.613	0.99
143_H	236_Q	1.610	0.99
207_A	210_L	1.606	0.99
137_Y	167_H	1.602	0.99
102_E	130_L	1.580	0.99
145_F	205_M	1.573	0.99
114_D	143_H	1.546	0.99
140_M	166_A	1.537	0.99
151_K	186_D	1.523	0.99
175_P	181_L	1.521	0.99
158_L	202_T	1.516	0.99
155_I	187_A	1.513	0.99
48_R	80_T	1.503	0.99
143_H	213_R	1.498	0.99
80_T	205_M	1.465	0.99
142_N	157_R	1.454	0.99
117_L	140_M	1.448	0.99
27_E	67_K	1.444	0.99
151_K	183_T	1.422	0.99
216_G	221_S	1.412	0.98
102_E	126_A	1.406	0.98
33_E	229_E	1.391	0.98
181_L	212_S	1.387	0.98
26_T	29_Q	1.373	0.98
80_T	116_E	1.372	0.98
175_P	208_T	1.345	0.98
172_A	205_M	1.320	0.98
86_E	118_F	1.310	0.98
24_G	29_Q	1.305	0.97
24_G	33_E	1.305	0.97
154_I	173_V	1.301	0.97
188_T	200_I	1.282	0.97
47_W	65_I	1.276	0.97
184_L	202_T	1.268	0.97
37_V	42_P	1.265	0.97
155_I	190_T	1.248	0.97
204_S	212_S	1.242	0.97
117_L	161_M	1.241	0.97
182_L	189_Y	1.219	0.96
48_R	82_R	1.210	0.96
15_M	247_D	1.209	0.96
51_V	89_S	1.201	0.96
48_R	116_E	1.199	0.96
186_D	190_T	1.198	0.96
213_R	233_A	1.188	0.96
173_V	184_L	1.179	0.95
162_Q	198_R	1.178	0.95
184_L	204_S	1.172	0.95
114_D	233_A	1.165	0.95
55_A	81_F	1.153	0.95
95_S	99_A	1.141	0.95
42_P	239_V	1.137	0.94
112_L	168_I	1.131	0.94
76_L	168_I	1.123	0.94
69_R	111_D	1.118	0.94
214_L	245_V	1.118	0.94
140_M	161_M	1.117	0.94
27_E	52_F	1.112	0.94
205_M	235_G	1.102	0.93
101_L	113_I	1.101	0.93
84_H	91_E	1.084	0.93
128_V	138_V	1.083	0.93
145_F	172_A	1.082	0.93
82_R	116_E	1.078	0.93
65_I	107_T	1.076	0.93
185_L	219_F	1.070	0.92
48_R	114_D	1.067	0.92
79_F	110_I	1.067	0.92
98_L	123_N	1.066	0.92
42_P	75_K	1.063	0.92
26_T	53_E	1.062	0.92
112_L	137_Y	1.060	0.92
17_K	97_Y	1.058	0.92
132_E	167_H	1.056	0.92
52_F	64_L	1.056	0.92
20_I	228_G	1.047	0.92
174_M	205_M	1.047	0.92
104_A	108_K	1.045	0.91
23_M	232_S	1.045	0.91
237_I	242_L	1.040	0.91
121_D	160_K	1.038	0.91
184_L	212_S	1.038	0.91
65_I	104_A	1.036	0.91
23_M	51_V	1.029	0.91
80_T	213_R	1.028	0.91
33_E	37_V	1.025	0.91
205_M	213_R	1.023	0.91
172_A	233_A	1.019	0.90
154_I	158_L	1.017	0.90
88_G	116_E	1.010	0.90
62_T	103_S	1.009	0.90
38_K	75_K	0.998	0.89
105_I	115_I	0.996	0.89
48_R	213_R	0.995	0.89
103_S	106_Q	0.994	0.89
27_E	31_L	0.984	0.89
84_H	89_S	0.983	0.89
41_N	243_R	0.982	0.89
105_I	134_N	0.981	0.89
102_E	106_Q	0.973	0.88
20_I	239_V	0.972	0.88
82_R	114_D	0.971	0.88
49_V	101_L	0.955	0.87
244_S	248_I	0.954	0.87
114_D	236_Q	0.946	0.87
188_T	221_S	0.945	0.87
42_P	228_G	0.941	0.87
160_K	179_G	0.938	0.86
20_I	37_V	0.937	0.86
104_A	113_I	0.934	0.86
80_T	233_A	0.932	0.86
216_G	232_S	0.927	0.86
167_H	199_P	0.921	0.85
92_M	96_S	0.913	0.85
21_P	232_S	0.910	0.85
97_Y	119_S	0.910	0.85
143_H	170_K	0.909	0.85
42_P	243_R	0.908	0.84
47_W	52_F	0.908	0.84
211_I	215_S	0.907	0.84
17_K	51_V	0.907	0.84
44_I	76_L	0.902	0.84
150_V	153_E	0.899	0.84
35_E	71_S	0.898	0.84
116_E	143_H	0.892	0.83
148_T	180_D	0.882	0.83
21_P	225_F	0.869	0.82
22_L	34_A	0.866	0.82
142_N	171_M	0.862	0.81
144_D	205_M	0.856	0.81
115_I	124_V	0.853	0.81
96_S	99_A	0.843	0.80
88_G	114_D	0.841	0.80
168_I	221_S	0.835	0.79
110_I	136_V	0.833	0.79
97_Y	101_L	0.833	0.79
76_L	199_P	0.832	0.79
144_D	157_R	0.827	0.79
114_D	205_M	0.816	0.78
94_E	97_Y	0.816	0.78
58_R	62_T	0.815	0.77
180_D	183_T	0.812	0.77
87_G	116_E	0.812	0.77
185_L	188_T	0.811	0.77
213_R	236_Q	0.810	0.77
210_L	214_L	0.790	0.75
25_K	53_E	0.789	0.75
139_V	201_I	0.787	0.75
159_R	162_Q	0.786	0.75
155_I	159_R	0.784	0.75
27_E	64_L	0.784	0.75
177_D	208_T	0.783	0.75
141_S	170_K	0.777	0.74
182_L	218_V	0.769	0.73
20_I	42_P	0.768	0.73
79_F	101_L	0.767	0.73
82_R	170_K	0.766	0.73
154_I	183_T	0.762	0.73
106_Q	130_L	0.755	0.72
86_E	142_N	0.752	0.72
145_F	236_Q	0.751	0.72
153_E	156_S	0.748	0.71
34_A	45_V	0.748	0.71
117_L	160_K	0.747	0.71
83_T	86_E	0.745	0.71
33_E	36_A	0.744	0.71
215_S	246_L	0.742	0.71
214_L	237_I	0.741	0.71
181_L	187_A	0.739	0.70
82_R	88_G	0.738	0.70
149_P	180_D	0.732	0.70
186_D	189_Y	0.727	0.69
181_L	208_T	0.720	0.68
47_W	232_S	0.717	0.68
128_V	140_M	0.714	0.68
20_I	45_V	0.712	0.67
145_F	233_A	0.712	0.67
28_K	32_N	0.712	0.67
166_A	199_P	0.702	0.66
80_T	235_G	0.700	0.66
114_D	213_R	0.693	0.65
159_R	196_A	0.691	0.65
18_I	242_L	0.691	0.65
217_E	246_L	0.690	0.65
82_R	213_R	0.687	0.65
143_H	203_M	0.687	0.65
35_E	38_K	0.685	0.64
94_E	120_G	0.685	0.64
179_G	243_R	0.680	0.64
114_D	170_K	0.676	0.63
56_N	96_S	0.672	0.63
98_L	102_E	0.666	0.62
128_V	239_V	0.662	0.62
84_H	241_E	0.660	0.62
81_F	100_L	0.659	0.61
175_P	180_D	0.657	0.61
99_A	103_S	0.656	0.61
121_D	125_K	0.656	0.61
113_I	177_D	0.652	0.61
205_M	234_P	0.649	0.60
104_A	107_T	0.642	0.59
23_M	119_S	0.641	0.59
40_L	75_K	0.638	0.59
40_L	228_G	0.634	0.59
224_T	233_A	0.632	0.58
104_A	110_I	0.631	0.58
35_E	67_K	0.629	0.58
162_Q	169_P	0.628	0.58
77_F	191_M	0.627	0.58
19_I	24_G	0.627	0.58
170_K	213_R	0.627	0.58
26_T	192_K	0.625	0.57
156_S	159_R	0.620	0.57
172_A	175_P	0.618	0.57
118_F	157_R	0.618	0.57
172_A	213_R	0.616	0.56
145_F	234_P	0.616	0.56
246_L	249_L	0.615	0.56
106_Q	134_N	0.612	0.56
18_I	239_V	0.609	0.55
191_M	198_R	0.608	0.55
16_P	224_T	0.605	0.55
152_D	163_D	0.604	0.55
53_E	240_S	0.603	0.55
180_D	209_G	0.603	0.55
30_I	47_W	0.603	0.55
52_F	60_A	0.600	0.54
36_A	63_K	0.598	0.54
174_M	224_T	0.596	0.54
82_R	143_H	0.594	0.54
151_K	187_A	0.593	0.54
240_S	245_V	0.588	0.53
188_T	220_G	0.586	0.53
48_R	88_G	0.585	0.53
94_E	98_L	0.585	0.53
116_E	205_M	0.584	0.52
58_R	103_S	0.582	0.52
205_M	236_Q	0.580	0.52
43_D	76_L	0.579	0.52
169_P	201_I	0.573	0.51
173_V	204_S	0.571	0.51
129_S	133_E	0.571	0.51
60_A	64_L	0.570	0.51
89_S	212_S	0.569	0.51
80_T	236_Q	0.569	0.51
84_H	230_E	0.569	0.51
132_E	138_V	0.567	0.50
55_A	129_S	0.566	0.50
192_K	196_A	0.563	0.50
48_R	170_K	0.563	0.50
81_F	97_Y	0.563	0.50
41_N	240_S	0.559	0.49
120_G	123_N	0.558	0.49
102_E	127_L	0.557	0.49
19_I	44_I	0.557	0.49
80_T	172_A	0.556	0.49
126_A	135_N	0.556	0.49
48_R	143_H	0.555	0.49
31_L	67_K	0.552	0.48
116_E	213_R	0.550	0.48
22_L	37_V	0.550	0.48
76_L	232_S	0.548	0.48
78_L	161_M	0.547	0.48
151_K	155_I	0.546	0.48
145_F	148_T	0.545	0.48
54_K	59_E	0.539	0.47
26_T	60_A	0.538	0.47
116_E	233_A	0.537	0.47
31_L	35_E	0.535	0.46
49_V	81_F	0.535	0.46
244_S	247_D	0.533	0.46
239_V	243_R	0.532	0.46
61_V	79_F	0.532	0.46
87_G	141_S	0.531	0.46
124_V	127_L	0.530	0.46
184_L	203_M	0.526	0.45
24_G	30_I	0.524	0.45
22_L	45_V	0.522	0.45
38_K	41_N	0.521	0.45
182_L	185_L	0.517	0.44
25_K	51_V	0.516	0.44
185_L	216_G	0.516	0.44
44_I	129_S	0.516	0.44
66_S	69_R	0.516	0.44
77_F	230_E	0.516	0.44
54_K	60_A	0.515	0.44
15_M	113_I	0.513	0.44
217_E	227_A	0.513	0.44
215_S	218_V	0.512	0.44
88_G	213_R	0.510	0.43
86_E	232_S	0.510	0.43
94_E	119_S	0.509	0.43
25_K	89_S	0.508	0.43
44_I	216_G	0.507	0.43
209_G	224_T	0.507	0.43
68_L	227_A	0.507	0.43
114_D	141_S	0.506	0.43
32_N	240_S	0.505	0.43
106_Q	171_M	0.504	0.43
46_E	213_R	0.504	0.43
66_S	125_K	0.503	0.42
29_Q	45_V	0.500	0.42

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
4cnnA	2	0.9686	100	0.069	Contact Map
4ph6A	2	0.9412	100	0.073	Contact Map
4h3dA	2	0.9961	100	0.088	Contact Map
3l9cA	1	0.8784	100	0.167	Contact Map
2yr1A	2	0.9882	100	0.171	Contact Map
1sflA	2	0.9059	100	0.179	Contact Map
2oczA	2	0.8549	100	0.185	Contact Map
2o7sA	2	0.9098	100	0.215	Contact Map
2egzA	1	0.8471	100	0.242	Contact Map
2ox1A	2	0.7647	100	0.268	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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