O46709 - HALSA - GREMLIN Contacts

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O46709 - Thioredoxin

UniProt:	O46709	Sequences: MATDTAATTGTASPDEPLYVNGQTELDDVTSDNDVVLADFYADWCGPCQMLEPVVETLAEQTDAAVAKIDVDENQALASAYGVRGVPTLVLFADGEQVEEVVGLQDEDALKDLIESYTE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	119 (99)
Sequences:	11633 (7605)
Seq/√Len:	764.3

ECOLI - THIO2 THIO YBBN
BACSU - BDBA YDFQ THIO YTPP YDBP YUSE
HALSA - O46709 Q9HQ69 Q9HMD0
SULSO - Q97WI4 Q980E5 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
71_V	78_A	2.700	1.00
57_T	107_E	2.502	1.00
27_D	80_A	2.229	1.00
21_N	67_A	2.177	1.00
23_Q	76_A	2.175	1.00
61_Q	107_E	2.123	1.00
106_D	109_A	2.074	1.00
61_Q	111_K	2.047	1.00
90_V	100_E	2.034	1.00
62_T	111_K	1.891	1.00
23_Q	77_L	1.856	1.00
97_Q	100_E	1.855	1.00
27_D	31_S	1.828	1.00
81_Y	92_F	1.775	1.00
90_V	97_Q	1.764	1.00
45_C	48_C	1.761	1.00
70_D	73_E	1.761	1.00
36_V	65_A	1.751	1.00
71_V	86_V	1.720	1.00
111_K	115_E	1.659	1.00
39_D	68_K	1.633	1.00
55_V	66_V	1.618	1.00
34_D	65_A	1.590	1.00
109_A	112_D	1.571	1.00
54_V	57_T	1.533	1.00
23_Q	74_N	1.525	1.00
58_L	66_V	1.518	1.00
62_T	115_E	1.505	1.00
101_V	105_Q	1.469	1.00
54_V	107_E	1.446	1.00
58_L	111_K	1.382	1.00
37_L	55_V	1.368	1.00
22_G	25_E	1.368	1.00
51_L	89_L	1.354	1.00
35_V	91_L	1.348	1.00
99_E	113_L	1.286	1.00
104_L	109_A	1.285	1.00
43_D	70_D	1.267	1.00
37_L	89_L	1.265	1.00
107_E	111_K	1.229	1.00
36_V	67_A	1.208	1.00
101_V	113_L	1.157	1.00
58_L	107_E	1.146	1.00
29_V	36_V	1.144	1.00
22_G	74_N	1.135	1.00
69_I	77_L	1.128	1.00
91_L	113_L	1.120	1.00
21_N	29_V	1.092	1.00
105_Q	109_A	1.076	1.00
25_E	28_D	1.074	1.00
38_A	92_F	1.072	1.00
51_L	54_V	1.068	1.00
19_Y	65_A	1.068	1.00
39_D	52_E	1.027	1.00
52_E	56_E	1.014	1.00
75_Q	79_S	0.996	1.00
89_L	110_L	0.940	1.00
29_V	65_A	0.927	1.00
93_A	98_V	0.907	1.00
40_F	81_Y	0.902	1.00
55_V	89_L	0.898	1.00
58_L	62_T	0.898	1.00
52_E	68_K	0.886	1.00
50_M	104_L	0.886	1.00
28_D	32_D	0.880	1.00
56_E	68_K	0.873	1.00
20_V	68_K	0.868	1.00
20_V	73_E	0.854	1.00
41_Y	68_K	0.817	1.00
91_L	114_I	0.814	1.00
69_I	78_A	0.812	1.00
46_G	49_Q	0.811	1.00
51_L	110_L	0.809	1.00
41_Y	86_V	0.800	1.00
19_Y	29_V	0.793	1.00
76_A	80_A	0.781	1.00
37_L	66_V	0.774	1.00
51_L	105_Q	0.773	1.00
40_F	83_V	0.770	1.00
108_D	112_D	0.768	1.00
35_V	93_A	0.761	1.00
58_L	110_L	0.756	1.00
29_V	32_D	0.755	1.00
112_D	115_E	0.750	1.00
33_N	94_D	0.745	1.00
60_E	63_D	0.733	1.00
25_E	67_A	0.719	1.00
54_V	106_D	0.717	1.00
41_Y	70_D	0.714	1.00
43_D	72_D	0.710	1.00
76_A	79_S	0.705	1.00
34_D	94_D	0.701	1.00
21_N	25_E	0.685	1.00
38_A	67_A	0.677	1.00
40_F	90_V	0.673	1.00
59_A	66_V	0.671	1.00
64_A	114_I	0.670	1.00
54_V	58_L	0.670	1.00
37_L	110_L	0.662	1.00
51_L	55_V	0.661	1.00
113_L	116_S	0.660	1.00
40_F	71_V	0.655	1.00
89_L	101_V	0.645	1.00
43_D	49_Q	0.642	1.00
105_Q	113_L	0.638	1.00
93_A	96_E	0.637	1.00
57_T	60_E	0.636	1.00
51_L	104_L	0.632	1.00
42_A	72_D	0.629	1.00
21_N	38_A	0.629	1.00
37_L	91_L	0.627	1.00
54_V	104_L	0.626	1.00
18_L	59_A	0.624	1.00
39_D	47_P	0.619	1.00
26_L	81_Y	0.608	1.00
40_F	69_I	0.607	1.00
92_F	97_Q	0.607	1.00
77_L	80_A	0.598	1.00
46_G	50_M	0.596	1.00
43_D	73_E	0.594	1.00
25_E	29_V	0.591	1.00
30_T	36_V	0.587	1.00
39_D	51_L	0.585	1.00
47_P	50_M	0.585	1.00
74_N	77_L	0.582	1.00
75_Q	78_A	0.582	1.00
84_R	100_E	0.578	1.00
99_E	116_S	0.572	1.00
47_P	85_G	0.560	1.00
83_V	88_T	0.555	1.00
26_L	40_F	0.553	1.00
26_L	77_L	0.553	1.00
26_L	38_A	0.551	1.00
71_V	83_V	0.550	1.00
69_I	74_N	0.548	1.00
23_Q	80_A	0.544	1.00
100_E	103_G	0.544	1.00
18_L	55_V	0.538	1.00
101_V	104_L	0.537	1.00
44_W	49_Q	0.532	1.00
19_Y	36_V	0.527	1.00
55_V	114_I	0.523	1.00
85_G	102_V	0.517	1.00
37_L	114_I	0.516	1.00
28_D	31_S	0.515	1.00
21_N	28_D	0.513	1.00
35_V	94_D	0.509	1.00
44_W	72_D	0.500	1.00

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	0.8487	99.8	0.201	Contact Map
3f8uA	2	0.8739	99.8	0.206	Contact Map
2b5eA	1	0.958	99.8	0.213	Contact Map
4ekzA	1	1	99.8	0.235	Contact Map
3apoA	1	0.8908	99.8	0.235	Contact Map
3us3A	2	0.9664	99.8	0.247	Contact Map
1sjiA	2	0.9496	99.8	0.249	Contact Map
3ed3A	1	0.9328	99.8	0.268	Contact Map
3uemA	1	0.9832	99.8	0.277	Contact Map
3idvA	1	0.9328	99.8	0.284	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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