PUR3 - BACSU - GREMLIN Contacts

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PUR3 - Phosphoribosylglycinamide formyltransferase

UniProt:	P12040	Sequences: MKKFAVFASGNGSNFEAIVTRLKEENWDASAALLVCDKPQAKVIERAEAFHIPSFAFEPKSYENKAAFEQAIIEQLRLHEVELIALAGYMRLIGDTLLQAYGGKIINIHPSLLPAFPGIDAVGQAFRAGVKVAGITVHYVDEGMDTGPIIAQKAIEIDEHDTLETIEQRIHKLEHKWYPSVIKQLLGLNNRGEKA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	195 (177)
Sequences:	10725 (6580)
Seq/√Len:	494.6

ECOLI - PUR3 PURU FMT ARNA
BACSU - PUR3 PURU FMT
HALSA - Q9HNU0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
132_V	154_A	3.733	1.00
95_D	142_E	2.953	1.00
143_G	146_T	2.902	1.00
141_D	146_T	2.773	1.00
95_D	99_Q	2.747	1.00
161_D	169_R	2.715	1.00
115_A	130_V	2.573	1.00
116_F	130_V	2.522	1.00
33_L	79_H	2.446	1.00
8_A	43_V	2.382	1.00
116_F	128_A	2.261	1.00
137_V	181_V	2.247	1.00
153_K	180_S	2.237	1.00
136_T	149_I	2.211	1.00
161_D	165_T	2.164	1.00
123_G	163_L	2.119	1.00
184_Q	189_N	2.042	1.00
75_Q	78_L	1.985	1.00
77_R	100_A	1.928	1.00
139_Y	150_I	1.919	1.00
23_K	50_F	1.900	1.00
120_D	123_G	1.880	1.00
16_E	20_T	1.807	1.00
74_E	78_L	1.803	1.00
123_G	127_R	1.759	1.00
153_K	173_L	1.748	1.00
151_A	177_W	1.747	1.00
42_K	45_E	1.729	1.00
151_A	181_V	1.708	1.00
153_K	176_K	1.694	1.00
158_D	169_R	1.667	1.00
92_L	144_M	1.654	1.00
162_T	165_T	1.634	1.00
55_F	75_Q	1.609	1.00
155_I	173_L	1.576	1.00
71_A	74_E	1.553	1.00
139_Y	185_L	1.551	1.00
124_Q	127_R	1.505	1.00
45_E	48_E	1.466	1.00
158_D	161_D	1.447	1.00
83_L	182_I	1.428	1.00
180_S	184_Q	1.399	1.00
53_P	79_H	1.397	1.00
132_V	156_E	1.392	1.00
183_K	187_G	1.377	1.00
29_A	186_L	1.358	1.00
136_T	152_Q	1.354	1.00
106_I	150_I	1.340	1.00
112_L	134_G	1.305	1.00
151_A	184_Q	1.305	1.00
70_Q	96_T	1.301	1.00
58_E	61_S	1.300	1.00
15_F	34_L	1.275	1.00
155_I	169_R	1.275	1.00
120_D	124_Q	1.259	1.00
153_K	177_W	1.258	1.00
6_V	15_F	1.257	1.00
42_K	46_R	1.254	1.00
98_L	105_I	1.240	1.00
81_V	84_I	1.227	1.00
21_R	179_P	1.224	1.00
84_I	105_I	1.213	1.00
121_A	124_Q	1.209	1.00
73_I	77_R	1.179	1.00
124_Q	128_A	1.178	1.00
149_I	152_Q	1.162	1.00
163_L	167_E	1.154	1.00
28_D	183_K	1.152	1.00
151_A	180_S	1.151	1.00
73_I	100_A	1.147	1.00
70_Q	74_E	1.136	1.00
126_F	166_I	1.135	1.00
55_F	79_H	1.133	1.00
16_E	46_R	1.132	1.00
35_V	55_F	1.131	1.00
185_L	190_N	1.122	1.00
33_L	55_F	1.121	1.00
99_Q	142_E	1.099	1.00
44_I	54_S	1.092	1.00
19_V	50_F	1.091	1.00
75_Q	79_H	1.089	1.00
173_L	176_K	1.069	1.00
184_Q	190_N	1.067	1.00
39_P	56_A	1.066	1.00
73_I	101_Y	1.057	1.00
18_I	108_I	1.056	1.00
18_I	182_I	1.054	1.00
141_D	148_P	1.053	1.00
85_A	182_I	1.048	1.00
176_K	180_S	1.035	1.00
133_A	166_I	1.033	1.00
32_A	79_H	1.016	1.00
112_L	152_Q	1.016	1.00
137_V	177_W	1.013	1.00
33_L	81_V	1.013	1.00
53_P	75_Q	1.002	1.00
20_T	50_F	1.002	1.00
167_E	171_H	0.994	1.00
34_L	47_A	0.988	1.00
76_L	81_V	0.979	1.00
59_P	91_R	0.974	1.00
74_E	77_R	0.974	1.00
133_A	157_I	0.973	1.00
35_V	72_I	0.956	1.00
45_E	49_A	0.951	1.00
22_L	29_A	0.949	1.00
29_A	183_K	0.940	1.00
108_I	178_Y	0.927	1.00
122_V	167_E	0.913	1.00
137_V	151_A	0.900	1.00
73_I	96_T	0.895	1.00
17_A	20_T	0.894	1.00
57_F	68_F	0.890	1.00
86_L	140_V	0.890	1.00
157_I	161_D	0.883	1.00
106_I	185_L	0.882	1.00
101_Y	105_I	0.879	1.00
122_V	170_I	0.876	1.00
105_I	140_V	0.871	1.00
85_A	178_Y	0.864	1.00
22_L	27_W	0.858	1.00
19_V	52_I	0.852	1.00
135_I	173_L	0.846	1.00
113_L	117_P	0.842	1.00
39_P	42_K	0.842	1.00
15_F	19_V	0.839	1.00
81_V	100_A	0.838	1.00
32_A	81_V	0.830	1.00
18_I	178_Y	0.829	1.00
11_N	42_K	0.826	1.00
158_D	165_T	0.817	1.00
73_I	97_L	0.815	1.00
183_K	186_L	0.809	1.00
16_E	50_F	0.807	1.00
93_I	105_I	0.803	1.00
171_H	175_H	0.803	1.00
21_R	176_K	0.802	1.00
106_I	178_Y	0.801	1.00
8_A	36_C	0.792	1.00
125_A	130_V	0.790	1.00
115_A	132_V	0.788	1.00
83_L	185_L	0.788	1.00
96_T	99_Q	0.784	1.00
165_T	169_R	0.780	1.00
33_L	75_Q	0.778	1.00
177_W	181_V	0.773	1.00
101_Y	104_K	0.772	1.00
18_I	87_A	0.770	1.00
172_K	176_K	0.769	1.00
21_R	27_W	0.766	1.00
11_N	171_H	0.764	1.00
37_D	59_P	0.762	1.00
16_E	49_A	0.761	1.00
151_A	156_E	0.753	1.00
168_Q	172_K	0.752	1.00
126_F	163_L	0.752	1.00
131_K	156_E	0.749	1.00
71_A	75_Q	0.749	1.00
135_I	177_W	0.748	1.00
122_V	125_A	0.747	1.00
76_L	84_I	0.738	1.00
18_I	22_L	0.733	1.00
184_Q	187_G	0.733	1.00
47_A	51_H	0.731	1.00
161_D	166_I	0.728	1.00
69_E	94_G	0.727	1.00
168_Q	171_H	0.721	1.00
125_A	133_A	0.718	1.00
37_D	91_R	0.716	1.00
17_A	175_H	0.712	1.00
17_A	171_H	0.697	1.00
21_R	26_N	0.692	1.00
28_D	187_G	0.688	1.00
17_A	21_R	0.686	1.00
160_H	165_T	0.676	1.00
155_I	161_D	0.669	1.00
27_W	179_P	0.669	1.00
98_L	140_V	0.669	1.00
15_F	18_I	0.666	1.00
164_E	168_Q	0.663	1.00
61_S	94_G	0.662	1.00
36_C	44_I	0.662	1.00
19_V	31_A	0.654	1.00
119_I	124_Q	0.654	1.00
119_I	144_M	0.651	1.00
157_I	166_I	0.650	1.00
106_I	137_V	0.647	1.00
94_G	97_L	0.645	1.00
108_I	174_E	0.641	1.00
59_P	68_F	0.638	1.00
37_D	40_Q	0.636	1.00
150_I	185_L	0.635	1.00
117_P	146_T	0.634	1.00
47_A	52_I	0.634	1.00
20_T	23_K	0.632	1.00
8_A	15_F	0.631	1.00
84_I	101_Y	0.630	1.00
108_I	135_I	0.630	1.00
11_N	46_R	0.624	1.00
22_L	31_A	0.623	1.00
69_E	72_I	0.623	1.00
126_F	157_I	0.623	1.00
44_I	56_A	0.622	1.00
27_W	183_K	0.618	1.00
173_L	177_W	0.610	0.99
26_N	183_K	0.609	0.99
7_F	72_I	0.607	0.99
181_V	184_Q	0.607	0.99
133_A	155_I	0.606	0.99
112_L	154_A	0.605	0.99
91_R	94_G	0.604	0.99
110_P	122_V	0.604	0.99
94_G	98_L	0.603	0.99
125_A	157_I	0.599	0.99
20_T	26_N	0.596	0.99
68_F	89_Y	0.594	0.99
139_Y	148_P	0.592	0.99
42_K	48_E	0.584	0.99
77_R	101_Y	0.577	0.99
7_F	84_I	0.576	0.99
155_I	170_I	0.576	0.99
36_C	41_A	0.571	0.99
83_L	106_I	0.571	0.99
15_F	22_L	0.569	0.99
131_K	159_E	0.569	0.99
19_V	46_R	0.567	0.99
121_A	125_A	0.566	0.99
110_P	170_I	0.565	0.99
77_R	80_E	0.563	0.99
93_I	97_L	0.563	0.99
20_T	49_A	0.561	0.99
150_I	190_N	0.560	0.99
47_A	50_F	0.560	0.99
7_F	81_V	0.559	0.99
19_V	22_L	0.554	0.99
57_F	60_K	0.554	0.99
41_A	46_R	0.551	0.99
123_G	167_E	0.549	0.99
40_Q	58_E	0.548	0.99
76_L	97_L	0.547	0.99
34_L	43_V	0.545	0.99
9_S	84_I	0.544	0.99
72_I	75_Q	0.542	0.99
8_A	34_L	0.541	0.99
111_S	144_M	0.540	0.99
111_S	121_A	0.539	0.99
57_F	61_S	0.537	0.99
136_T	150_I	0.536	0.99
121_A	133_A	0.535	0.99
120_D	163_L	0.535	0.99
41_A	44_I	0.530	0.99
115_A	128_A	0.528	0.98
131_K	154_A	0.527	0.98
155_I	166_I	0.524	0.98
122_V	126_F	0.524	0.98
96_T	100_A	0.524	0.98
70_Q	73_I	0.524	0.98
180_S	183_K	0.520	0.98
87_A	174_E	0.514	0.98
12_G	41_A	0.507	0.98
48_E	54_S	0.507	0.98
46_R	50_F	0.506	0.98
60_K	72_I	0.506	0.98
155_I	158_D	0.505	0.98
7_F	35_V	0.504	0.98
35_V	84_I	0.500	0.98

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
2ywrA	2	1	100	0.082	Contact Map
4ew1A	2	0.9949	100	0.083	Contact Map
3tqrA	2	0.9897	100	0.086	Contact Map
1jkxA	2	0.9949	100	0.086	Contact Map
3aufA	2	1	100	0.086	Contact Map
4ds3A	2	0.9487	100	0.089	Contact Map
3p9xA	2	0.9949	100	0.094	Contact Map
3av3A	1	0.959	100	0.096	Contact Map
3kcqA	2	0.9744	100	0.1	Contact Map
3da8A	2	0.9897	100	0.105	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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