THIO2 - ECOLI - GREMLIN Contacts

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THIO2 - Thioredoxin-2

UniProt:	P0AGG4	Sequences: MNTVCTHCQAINRIPDDRIEDAAKCGRCGHDLFDGEVINATGETLDKLLKDDLPVVIDFWAPWCGPCRNFAPIFEDVAQERSGKVRFVKVNTEAERELSSRFGIRSIPTIMIFKNGQVVDMLNGAVPKAPFDSWLNESL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11887
Length:	139 (110)
Sequences:	5701 (3774)
Seq/√Len:	359.9

ECOLI - THIO2 THIO YBBN
BACSU - THIO YDFQ BDBA YTPP YDBP YUSE
HALSA - O46709 Q9HQ69 Q9HMD0
SULSO - Q980E5 Q97WI4 Q980T5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
92_T	99_S	3.308	1.00
46_D	101_R	2.954	1.00
127_P	130_P	2.666	1.00
76_D	128_K	2.659	1.00
40_A	88_V	2.529	1.00
80_E	132_D	2.292	1.00
73_I	128_K	2.276	1.00
42_G	97_E	2.178	1.00
91_N	94_A	2.152	1.00
102_F	113_F	2.137	1.00
80_E	128_K	2.132	1.00
111_M	121_M	2.079	1.00
42_G	98_L	2.040	1.00
125_A	130_P	1.992	1.00
73_I	76_D	1.957	1.00
64_C	67_C	1.827	1.00
42_G	95_E	1.777	1.00
90_V	98_L	1.759	1.00
130_P	133_S	1.750	1.00
56_V	74_F	1.740	1.00
36_E	79_Q	1.728	1.00
58_D	89_K	1.714	1.00
41_T	44_T	1.623	1.00
54_P	112_I	1.601	1.00
55_V	88_V	1.586	1.00
55_V	86_R	1.554	1.00
117_Q	120_D	1.463	1.00
77_V	87_F	1.452	1.00
56_V	110_I	1.451	1.00
62_P	91_N	1.435	1.00
48_L	55_V	1.367	1.00
118_V	121_M	1.358	1.00
74_F	87_F	1.352	1.00
58_D	71_A	1.340	1.00
92_T	107_I	1.308	1.00
57_I	113_F	1.290	1.00
41_T	95_E	1.280	1.00
56_V	87_F	1.273	1.00
77_V	128_K	1.256	1.00
77_V	131_F	1.234	1.00
81_R	136_N	1.226	1.00
39_N	89_K	1.226	1.00
36_E	82_S	1.217	1.00
81_R	132_D	1.212	1.00
38_I	48_L	1.209	1.00
77_V	132_D	1.185	1.00
70_F	73_I	1.173	1.00
56_V	112_I	1.167	1.00
132_D	136_N	1.145	1.00
46_D	50_K	1.130	1.00
85_V	135_L	1.122	1.00
71_A	75_E	1.107	1.00
40_A	48_L	1.107	1.00
70_F	110_I	1.093	1.00
53_L	86_R	1.071	1.00
59_F	104_I	1.068	1.00
45_L	59_F	1.061	1.00
59_F	102_F	1.035	1.00
111_M	118_V	1.034	1.00
95_E	98_L	0.989	1.00
112_I	134_W	0.953	1.00
58_D	66_P	0.951	1.00
128_K	132_D	0.938	1.00
71_A	89_K	0.926	1.00
81_R	87_F	0.926	1.00
96_R	100_S	0.926	1.00
40_A	57_I	0.900	1.00
49_L	55_V	0.898	1.00
112_I	135_L	0.884	1.00
59_F	92_T	0.877	1.00
62_P	93_E	0.875	1.00
75_E	89_K	0.856	1.00
70_F	131_F	0.853	1.00
60_W	89_K	0.851	1.00
77_V	81_R	0.831	1.00
61_A	93_E	0.817	1.00
45_L	98_L	0.816	1.00
66_P	106_S	0.808	1.00
47_K	51_D	0.806	1.00
48_L	51_D	0.790	1.00
122_L	130_P	0.780	1.00
63_W	68_R	0.775	1.00
65_G	68_R	0.770	1.00
73_I	127_P	0.761	1.00
126_V	130_P	0.759	1.00
70_F	74_F	0.748	1.00
97_E	100_S	0.742	1.00
60_W	91_N	0.730	1.00
79_Q	82_S	0.728	1.00
54_P	114_K	0.723	1.00
37_V	74_F	0.718	0.99
35_G	75_E	0.717	0.99
99_S	102_F	0.716	0.99
114_K	119_V	0.713	0.99
53_L	84_K	0.713	0.99
31_D	35_G	0.705	0.99
124_G	130_P	0.700	0.99
73_I	77_V	0.697	0.99
90_V	99_S	0.687	0.99
65_G	69_N	0.685	0.99
122_L	134_W	0.684	0.99
58_D	70_F	0.682	0.99
90_V	95_E	0.680	0.99
74_F	135_L	0.679	0.99
35_G	39_N	0.678	0.99
38_I	55_V	0.674	0.99
92_T	104_I	0.660	0.99
59_F	90_V	0.651	0.99
110_I	131_F	0.649	0.99
30_H	34_D	0.643	0.99
129_A	133_S	0.639	0.99
44_T	88_V	0.633	0.99
114_K	117_Q	0.632	0.99
78_A	87_F	0.630	0.99
48_L	86_R	0.629	0.99
54_P	84_K	0.628	0.99
40_A	44_T	0.624	0.99
58_D	67_C	0.620	0.98
44_T	47_K	0.619	0.98
57_I	88_V	0.613	0.98
62_P	107_I	0.612	0.98
122_L	126_V	0.609	0.98
98_L	101_R	0.602	0.98
45_L	57_I	0.602	0.98
65_G	106_S	0.601	0.98
57_I	90_V	0.596	0.98
116_G	120_D	0.595	0.98
63_W	93_E	0.593	0.98
56_V	131_F	0.590	0.98
56_V	135_L	0.583	0.98
31_D	34_D	0.582	0.98
29_G	32_L	0.582	0.98
95_E	99_S	0.576	0.98
61_A	66_P	0.570	0.97
47_K	50_K	0.569	0.97
37_V	89_K	0.562	0.97
96_R	99_S	0.559	0.97
104_I	109_T	0.558	0.97
59_F	111_M	0.552	0.97
110_I	122_L	0.545	0.97
69_N	73_I	0.543	0.97
59_F	113_F	0.542	0.96
61_A	107_I	0.532	0.96
45_L	49_L	0.532	0.96
45_L	48_L	0.530	0.96
66_P	72_P	0.526	0.96
37_V	78_A	0.525	0.96
33_F	82_S	0.519	0.96
38_I	86_R	0.519	0.96
99_S	107_I	0.518	0.95
131_F	135_L	0.518	0.95
39_N	60_W	0.516	0.95
80_E	129_A	0.515	0.95
54_P	115_N	0.514	0.95
84_K	136_N	0.513	0.95
120_D	134_W	0.512	0.95
46_D	102_F	0.512	0.95
66_P	126_V	0.509	0.95
52_D	55_V	0.507	0.95
93_E	96_R	0.507	0.95
66_P	92_T	0.504	0.95
39_N	94_A	0.504	0.95
81_R	85_V	0.503	0.95
61_A	72_P	0.501	0.95
87_F	131_F	0.500	0.95

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
2r2jA	2	0.7338	99.9	0.264	Contact Map
3f8uA	2	0.7554	99.9	0.265	Contact Map
2b5eA	1	0.8273	99.9	0.276	Contact Map
3apoA	1	0.8705	99.9	0.287	Contact Map
3us3A	2	0.8345	99.9	0.306	Contact Map
1sjiA	2	0.8201	99.9	0.306	Contact Map
4ekzA	1	0.9065	99.8	0.322	Contact Map
3ed3A	1	0.8058	99.8	0.323	Contact Map
3idvA	1	0.8058	99.8	0.341	Contact Map
3t58A	1	0.8058	99.8	0.352	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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