PURE - BACSU - GREMLIN Contacts

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PURE - N5-carboxyaminoimidazole ribonucleotide mutase

UniProt:	P12044	Sequences: MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	162 (152)
Sequences:	3198 (1450)
Seq/√Len:	117.6

ECOLI - PURE
BACSU - PURE
HALSA - Q9HRM2
SULSO - PURE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
12_T	157_S	2.513	1.00
6_G	49_Y	2.492	1.00
54_R	144_D	2.431	1.00
114_T	127_L	2.354	1.00
130_Q	147_R	2.334	1.00
72_P	102_I	2.317	1.00
84_I	114_T	2.264	1.00
96_M	100_L	2.226	1.00
107_G	122_V	2.200	1.00
4_L	59_K	2.151	1.00
59_K	135_F	2.145	1.00
8_I	75_T	2.122	1.00
28_L	129_A	2.120	1.00
47_F	78_K	2.081	1.00
44_D	51_E	2.067	1.00
7_I	22_C	2.065	1.00
35_K	45_F	1.958	1.00
54_R	140_A	1.943	1.00
26_D	32_Y	1.928	1.00
22_C	32_Y	1.815	1.00
6_G	58_I	1.791	1.00
132_L	139_L	1.763	1.00
18_M	64_G	1.758	1.00
30_V	129_A	1.714	1.00
18_M	86_V	1.708	1.00
89_Q	92_A	1.699	1.00
27_E	149_N	1.688	1.00
48_E	52_T	1.678	1.00
19_K	23_D	1.654	1.00
152_Q	156_E	1.622	1.00
84_I	131_I	1.618	1.00
33_E	56_R	1.617	1.00
115_S	120_G	1.603	1.00
89_Q	94_N	1.601	1.00
54_R	80_T	1.579	1.00
4_L	31_P	1.564	1.00
148_E	152_Q	1.556	1.00
45_F	155_L	1.543	1.00
146_R	150_T	1.526	1.00
93_L	116_I	1.507	1.00
89_Q	117_G	1.500	1.00
37_V	46_M	1.486	1.00
42_T	154_V	1.473	1.00
52_T	55_E	1.470	1.00
145_E	149_N	1.458	1.00
129_A	139_L	1.436	1.00
24_I	125_G	1.431	1.00
99_L	103_V	1.428	1.00
133_S	139_L	1.411	1.00
138_D	142_K	1.401	1.00
80_T	144_D	1.383	1.00
141_R	145_E	1.381	1.00
22_C	34_K	1.364	1.00
84_I	112_A	1.299	1.00
149_N	153_T	1.292	1.00
148_E	151_K	1.288	1.00
20_H	23_D	1.273	0.99
29_N	142_K	1.238	0.99
61_I	81_L	1.230	0.99
80_T	140_A	1.223	0.99
33_E	58_I	1.210	0.99
51_E	78_K	1.154	0.99
24_I	122_V	1.146	0.99
28_L	142_K	1.138	0.99
20_H	122_V	1.138	0.99
42_T	45_F	1.126	0.99
49_Y	58_I	1.122	0.99
50_A	61_I	1.122	0.99
59_K	136_D	1.117	0.99
44_D	78_K	1.101	0.98
99_L	116_I	1.097	0.98
24_I	27_E	1.088	0.98
46_M	75_T	1.085	0.98
90_S	94_N	1.072	0.98
23_D	27_E	1.059	0.98
16_E	19_K	1.055	0.98
67_G	91_K	1.055	0.98
126_L	129_A	1.036	0.98
22_C	26_D	1.019	0.98
131_I	134_A	1.008	0.97
44_D	48_E	1.005	0.97
153_T	157_S	1.005	0.97
17_T	89_Q	0.974	0.97
59_K	134_A	0.972	0.97
17_T	117_G	0.960	0.96
15_W	22_C	0.957	0.96
46_M	50_A	0.954	0.96
24_I	126_L	0.953	0.96
112_A	127_L	0.935	0.96
5_V	60_V	0.934	0.96
125_G	129_A	0.933	0.96
37_V	45_F	0.930	0.96
15_W	34_K	0.923	0.96
107_G	120_G	0.921	0.95
139_L	142_K	0.907	0.95
17_T	88_V	0.903	0.95
149_N	152_Q	0.896	0.95
21_A	64_G	0.895	0.95
80_T	143_L	0.893	0.95
122_V	146_R	0.888	0.94
144_D	148_E	0.888	0.94
141_R	144_D	0.885	0.94
46_M	74_M	0.884	0.94
91_K	98_S	0.882	0.94
64_G	88_V	0.878	0.94
74_M	77_A	0.873	0.94
24_I	28_L	0.857	0.93
50_A	75_T	0.856	0.93
50_A	53_A	0.855	0.93
151_K	155_L	0.854	0.93
12_T	36_V	0.850	0.93
52_T	56_R	0.847	0.93
85_G	102_I	0.843	0.93
143_L	147_R	0.835	0.92
92_A	96_M	0.826	0.92
44_D	151_K	0.822	0.92
67_G	98_S	0.811	0.91
44_D	47_F	0.811	0.91
33_E	49_Y	0.810	0.91
4_L	136_D	0.806	0.91
21_A	62_I	0.796	0.91
140_A	144_D	0.788	0.90
37_V	74_M	0.786	0.90
84_I	127_L	0.781	0.90
133_S	143_L	0.780	0.90
147_R	150_T	0.775	0.89
23_D	26_D	0.774	0.89
18_M	121_A	0.772	0.89
109_V	147_R	0.759	0.88
28_L	146_R	0.758	0.88
60_V	132_L	0.756	0.88
6_G	33_E	0.755	0.88
145_E	148_E	0.748	0.88
48_E	51_E	0.740	0.87
90_S	98_S	0.734	0.87
47_F	51_E	0.720	0.86
6_G	61_I	0.718	0.85
137_E	140_A	0.716	0.85
136_D	139_L	0.716	0.85
54_R	133_S	0.709	0.85
45_F	154_V	0.704	0.84
63_A	75_T	0.701	0.84
152_Q	155_L	0.690	0.83
126_L	147_R	0.690	0.83
17_T	20_H	0.680	0.82
8_I	49_Y	0.678	0.82
153_T	156_E	0.674	0.82
96_M	116_I	0.672	0.81
9_M	18_M	0.669	0.81
45_F	48_E	0.667	0.81
25_L	129_A	0.664	0.81
45_F	151_K	0.659	0.80
59_K	140_A	0.657	0.80
150_T	153_T	0.656	0.80
8_I	61_I	0.644	0.79
93_L	103_V	0.644	0.79
64_G	86_V	0.642	0.78
114_T	120_G	0.638	0.78
110_P	143_L	0.632	0.77
63_A	72_P	0.630	0.77
60_V	131_I	0.628	0.77
49_Y	56_R	0.622	0.76
5_V	30_V	0.621	0.76
27_E	146_R	0.621	0.76
30_V	139_L	0.619	0.76
6_G	56_R	0.617	0.76
125_G	130_Q	0.617	0.76
107_G	115_S	0.616	0.76
130_Q	143_L	0.612	0.75
46_M	72_P	0.612	0.75
4_L	58_I	0.611	0.75
67_G	107_G	0.609	0.75
129_A	132_L	0.604	0.74
114_T	131_I	0.604	0.74
47_F	50_A	0.596	0.73
93_L	99_L	0.596	0.73
127_L	131_I	0.592	0.73
63_A	102_I	0.591	0.73
15_W	19_K	0.586	0.72
43_P	77_A	0.586	0.72
7_I	34_K	0.586	0.72
50_A	78_K	0.583	0.72
93_L	96_M	0.581	0.71
51_E	55_E	0.578	0.71
136_D	142_K	0.578	0.71
90_S	115_S	0.577	0.71
50_A	81_L	0.577	0.71
20_H	117_G	0.575	0.71
90_S	100_L	0.573	0.70
96_M	103_V	0.570	0.70
12_T	109_V	0.570	0.70
60_V	114_T	0.569	0.70
53_A	61_I	0.567	0.69
58_I	81_L	0.562	0.69
138_D	141_R	0.556	0.68
26_D	29_N	0.556	0.68
10_G	14_D	0.555	0.68
12_T	15_W	0.555	0.68
98_S	101_S	0.550	0.67
92_A	116_I	0.548	0.67
72_P	85_G	0.548	0.67
138_D	148_E	0.547	0.67
35_K	157_S	0.546	0.67
46_M	102_I	0.546	0.67
85_G	110_P	0.545	0.66
94_N	100_L	0.539	0.66
84_I	134_A	0.535	0.65
58_I	61_I	0.534	0.65
16_E	20_H	0.533	0.65
12_T	16_E	0.527	0.64
6_G	37_V	0.526	0.64
139_L	143_L	0.525	0.64
133_S	140_A	0.522	0.63
11_S	14_D	0.522	0.63
64_G	125_G	0.521	0.63
26_D	34_K	0.521	0.63
24_I	146_R	0.519	0.63
27_E	142_K	0.519	0.63
36_V	157_S	0.518	0.63
50_A	58_I	0.517	0.62
54_R	137_E	0.517	0.62
109_V	143_L	0.514	0.62
75_T	78_K	0.509	0.61
129_A	142_K	0.506	0.61
137_E	141_R	0.505	0.61
121_A	125_G	0.503	0.60
91_K	96_M	0.501	0.60
40_H	71_L	0.500	0.60

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
4ay3A	2	0.9877	100	0.118	Contact Map
3trhA	5	1	100	0.126	Contact Map
3oowA	5	0.9877	100	0.129	Contact Map
3kuuA	5	1	100	0.129	Contact Map
3orsA	5	0.9938	100	0.129	Contact Map
4grdA	5	1	100	0.134	Contact Map
3lp6A	5	0.9877	100	0.136	Contact Map
1u11A	6	0.9938	100	0.137	Contact Map
1o4vA	5	0.9753	100	0.142	Contact Map
3rg8A	6	0.9691	100	0.167	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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