PURE - ECOLI - GREMLIN Contacts

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PURE - N5-carboxyaminoimidazole ribonucleotide mutase

UniProt:	P0AG18	Sequences: MSSRNNPARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGAA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10793
Length:	169 (153)
Sequences:	3223 (1472)
Seq/√Len:	119.0

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
17_K	162_N	2.651	1.00
11_A	54_F	2.615	1.00
77_P	107_I	2.505	1.00
119_L	132_L	2.498	1.00
59_E	149_N	2.429	1.00
89_L	119_L	2.383	1.00
135_Q	152_R	2.365	1.00
101_V	105_Y	2.316	1.00
13_V	80_I	2.280	1.00
33_L	134_A	2.225	1.00
64_Q	140_H	2.201	1.00
112_R	127_A	2.193	1.00
12_I	27_A	2.160	1.00
9_R	64_Q	2.128	1.00
49_D	56_E	2.060	1.00
31_E	37_H	1.995	1.00
40_E	50_K	1.971	1.00
52_F	83_K	1.964	1.00
59_E	145_H	1.924	1.00
137_L	144_L	1.914	1.00
11_A	63_Y	1.886	1.00
35_V	134_A	1.836	1.00
23_M	69_G	1.795	1.00
94_Q	97_A	1.746	1.00
27_A	37_H	1.734	1.00
24_Q	28_E	1.725	1.00
32_I	154_A	1.711	1.00
38_H	61_N	1.695	1.00
23_M	91_V	1.679	1.00
157_D	161_E	1.672	1.00
120_A	125_G	1.665	1.00
98_L	121_I	1.652	1.00
53_S	57_S	1.638	1.00
151_W	155_Q	1.634	1.00
59_E	85_L	1.618	1.00
47_T	159_V	1.617	1.00
153_K	157_D	1.590	1.00
89_L	136_I	1.590	1.00
94_Q	99_S	1.567	1.00
29_I	130_A	1.501	1.00
42_V	51_L	1.498	1.00
104_L	108_V	1.474	1.00
134_A	144_L	1.472	1.00
138_A	144_L	1.471	1.00
57_S	60_E	1.443	1.00
50_K	160_L	1.438	1.00
94_Q	122_G	1.409	1.00
27_A	39_V	1.406	1.00
89_L	117_G	1.386	1.00
9_R	36_P	1.381	1.00
143_E	147_R	1.380	1.00
146_Q	150_D	1.364	1.00
150_D	154_A	1.364	1.00
85_L	149_N	1.290	1.00
153_K	156_T	1.285	1.00
66_I	86_V	1.281	1.00
85_L	145_H	1.220	0.99
38_H	63_Y	1.210	0.99
25_F	28_E	1.199	0.99
154_A	158_E	1.195	0.99
54_F	63_Y	1.194	0.99
34_N	147_R	1.190	0.99
64_Q	141_D	1.174	0.99
104_L	121_I	1.157	0.99
51_L	80_I	1.141	0.99
33_L	147_R	1.140	0.99
55_A	66_I	1.139	0.99
56_E	83_K	1.131	0.99
49_D	83_K	1.128	0.99
47_T	50_K	1.118	0.99
95_S	99_S	1.113	0.99
25_F	127_A	1.091	0.98
21_A	24_Q	1.088	0.98
28_E	32_I	1.042	0.98
51_L	79_M	1.030	0.98
136_I	139_T	1.029	0.98
131_L	134_A	1.017	0.98
158_E	162_N	1.016	0.98
51_L	55_A	1.010	0.97
29_I	32_I	1.008	0.97
29_I	127_A	1.008	0.97
10_V	65_V	1.005	0.97
130_A	134_A	1.005	0.97
72_G	96_A	0.994	0.97
22_T	94_Q	0.979	0.97
49_D	53_S	0.973	0.97
22_T	122_G	0.964	0.97
144_L	147_R	0.952	0.96
85_L	148_L	0.950	0.96
64_Q	139_T	0.943	0.96
42_V	50_K	0.939	0.96
27_A	31_E	0.934	0.96
20_W	39_V	0.921	0.96
20_W	27_A	0.913	0.95
29_I	131_L	0.906	0.95
72_G	103_S	0.880	0.94
96_A	103_S	0.871	0.94
26_A	69_G	0.868	0.94
17_K	41_V	0.860	0.94
127_A	151_W	0.857	0.94
79_M	82_A	0.854	0.93
146_Q	149_N	0.853	0.93
42_V	79_M	0.852	0.93
149_N	153_K	0.850	0.93
138_A	148_L	0.844	0.93
8_A	64_Q	0.843	0.93
154_A	157_D	0.841	0.93
49_D	156_T	0.838	0.93
112_R	125_G	0.834	0.93
55_A	58_A	0.825	0.92
55_A	80_I	0.822	0.92
90_G	107_I	0.822	0.92
156_T	160_L	0.815	0.92
69_G	93_V	0.813	0.92
28_E	31_E	0.812	0.92
148_L	152_R	0.811	0.92
114_I	152_R	0.807	0.91
145_H	149_N	0.803	0.91
22_T	93_V	0.799	0.91
117_G	132_L	0.798	0.91
29_I	33_L	0.780	0.90
38_H	54_F	0.780	0.90
59_E	138_A	0.771	0.89
97_A	101_V	0.771	0.89
8_A	36_P	0.757	0.89
65_V	137_L	0.757	0.89
89_L	132_L	0.752	0.88
11_A	38_H	0.745	0.88
50_K	159_V	0.742	0.88
26_A	67_I	0.741	0.87
57_S	61_N	0.741	0.87
23_M	126_A	0.738	0.87
152_R	155_Q	0.737	0.87
49_D	52_F	0.737	0.87
98_L	108_V	0.734	0.87
98_L	104_L	0.733	0.87
9_R	141_D	0.730	0.87
33_L	151_W	0.724	0.86
101_V	121_I	0.709	0.85
131_L	152_R	0.705	0.85
64_Q	145_H	0.704	0.85
95_S	103_S	0.687	0.83
11_A	66_I	0.684	0.83
53_S	56_E	0.682	0.83
51_L	77_P	0.679	0.83
141_D	144_L	0.678	0.82
157_D	160_L	0.678	0.82
30_F	134_A	0.667	0.81
98_L	101_V	0.664	0.81
22_T	25_F	0.656	0.80
101_V	108_V	0.652	0.80
142_K	145_H	0.649	0.80
150_D	153_K	0.647	0.79
13_V	66_I	0.647	0.79
112_R	120_A	0.644	0.79
54_F	61_N	0.644	0.79
13_V	54_F	0.638	0.78
119_L	125_G	0.635	0.78
52_F	56_E	0.631	0.78
158_E	161_E	0.627	0.77
32_I	151_W	0.624	0.77
95_S	105_Y	0.620	0.76
50_K	156_T	0.614	0.76
119_L	136_I	0.612	0.76
41_V	162_N	0.611	0.75
51_L	107_I	0.609	0.75
68_A	77_P	0.609	0.75
119_L	135_Q	0.607	0.75
68_A	107_I	0.607	0.75
135_Q	148_L	0.607	0.75
99_S	105_Y	0.602	0.74
97_A	121_I	0.602	0.74
155_Q	158_E	0.600	0.74
130_A	135_Q	0.596	0.74
69_G	91_V	0.593	0.73
68_A	80_I	0.592	0.73
115_P	148_L	0.590	0.73
55_A	86_V	0.589	0.73
50_K	53_S	0.589	0.73
65_V	136_I	0.585	0.72
52_F	55_A	0.585	0.72
90_G	115_P	0.583	0.72
48_P	82_A	0.581	0.72
15_G	19_D	0.579	0.71
72_G	79_M	0.577	0.71
95_S	120_A	0.573	0.71
9_R	63_Y	0.572	0.71
65_V	119_L	0.570	0.70
72_G	112_R	0.570	0.70
20_W	24_Q	0.569	0.70
108_V	121_I	0.568	0.70
79_M	107_I	0.565	0.70
12_I	39_V	0.565	0.70
10_V	35_V	0.565	0.70
11_A	61_N	0.562	0.69
55_A	83_K	0.562	0.69
14_M	23_M	0.560	0.69
77_P	90_G	0.560	0.69
132_L	136_I	0.559	0.69
56_E	60_E	0.557	0.69
63_Y	66_I	0.557	0.69
16_S	19_D	0.553	0.68
25_F	122_G	0.553	0.68
143_E	146_Q	0.551	0.68
101_V	104_L	0.550	0.68
21_A	25_F	0.549	0.67
31_E	34_N	0.546	0.67
35_V	144_L	0.540	0.66
55_A	63_Y	0.539	0.66
134_A	137_L	0.539	0.66
69_G	130_A	0.537	0.66
63_Y	86_V	0.536	0.66
17_K	114_I	0.535	0.65
41_V	93_V	0.533	0.65
40_E	162_N	0.525	0.64
32_I	147_R	0.523	0.64
89_L	139_T	0.523	0.64
42_V	72_G	0.519	0.63
17_K	21_A	0.518	0.63
114_I	148_L	0.511	0.62
58_A	66_I	0.505	0.61
126_A	130_A	0.505	0.61
112_R	130_A	0.505	0.61
17_K	20_W	0.505	0.61
29_I	151_W	0.505	0.61
45_H	76_L	0.504	0.61
31_E	39_V	0.503	0.61
134_A	147_R	0.503	0.61
44_A	76_L	0.501	0.60
103_S	106_S	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
3kuuA	5	1	100	0.153	Contact Map
3trhA	5	0.9704	100	0.154	Contact Map
3orsA	5	0.9527	100	0.156	Contact Map
3lp6A	5	0.9882	100	0.156	Contact Map
3oowA	5	0.9586	100	0.157	Contact Map
1u11A	6	0.9586	100	0.158	Contact Map
4ay3A	2	0.9467	100	0.162	Contact Map
4grdA	5	0.9704	100	0.163	Contact Map
1o4vA	5	0.9467	100	0.174	Contact Map
3rg8A	6	0.9349	100	0.208	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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