THIO - BACSU - GREMLIN Contacts

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THIO - Thioredoxin

UniProt:	P14949	Sequences: MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	104 (99)
Sequences:	9291 (6193)
Seq/√Len:	622.4

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
57_V	64_A	2.968	1.00
41_E	93_K	2.354	1.00
6_A	53_V	2.317	1.00
12_S	66_K	2.276	1.00
45_E	93_K	2.099	1.00
92_P	95_A	2.081	1.00
8_D	62_E	1.948	1.00
76_L	86_T	1.927	1.00
45_E	97_Q	1.895	1.00
20_V	51_K	1.861	1.00
56_D	59_E	1.766	1.00
8_D	63_T	1.742	1.00
29_C	32_C	1.737	1.00
18_G	51_K	1.735	1.00
23_D	54_K	1.713	1.00
67_Y	78_L	1.657	1.00
83_V	86_T	1.656	1.00
19_V	77_V	1.640	1.00
38_V	41_E	1.633	1.00
46_M	97_Q	1.632	1.00
76_L	83_V	1.626	1.00
21_L	39_L	1.594	1.00
97_Q	101_N	1.548	1.00
8_D	60_N	1.526	1.00
90_F	95_A	1.515	1.00
95_A	98_E	1.510	1.00
42_L	52_I	1.510	1.00
39_L	52_I	1.500	1.00
38_V	93_K	1.494	1.00
27_P	56_D	1.443	1.00
21_L	75_L	1.433	1.00
14_E	51_K	1.432	1.00
4_V	14_E	1.403	1.00
57_V	72_I	1.402	1.00
10_S	14_E	1.401	1.00
7_T	10_S	1.387	1.00
6_A	14_E	1.335	1.00
87_S	91_K	1.334	1.00
20_V	53_V	1.314	1.00
42_L	97_Q	1.254	1.00
46_M	101_N	1.235	1.00
85_E	99_L	1.218	1.00
87_S	99_L	1.217	1.00
55_I	63_T	1.203	1.00
36_A	40_E	1.149	1.00
42_L	93_K	1.137	1.00
35_I	75_L	1.104	1.00
93_K	97_Q	1.098	1.00
7_T	60_N	1.067	1.00
77_V	99_L	1.063	1.00
61_Q	65_G	1.060	1.00
91_K	95_A	1.048	1.00
23_D	36_A	1.048	1.00
5_K	54_K	1.023	1.00
35_I	38_V	1.005	1.00
22_A	78_L	0.998	1.00
55_I	64_A	0.992	1.00
14_E	20_V	0.982	1.00
79_K	84_V	0.977	1.00
75_L	96_L	0.948	1.00
42_L	46_M	0.945	1.00
36_A	54_K	0.930	1.00
4_V	51_K	0.927	1.00
77_V	100_V	0.923	1.00
35_I	96_L	0.919	1.00
42_L	96_L	0.912	1.00
40_E	54_K	0.893	1.00
25_W	54_K	0.888	1.00
39_L	75_L	0.884	1.00
19_V	79_K	0.864	1.00
49_K	101_N	0.862	1.00
82_E	85_E	0.833	1.00
34_M	90_F	0.808	1.00
38_V	92_P	0.802	1.00
17_E	20_V	0.783	1.00
5_K	59_E	0.781	1.00
11_F	67_Y	0.778	1.00
44_Q	47_G	0.770	1.00
98_E	101_N	0.767	1.00
15_T	20_V	0.766	1.00
50_L	100_V	0.757	1.00
91_K	99_L	0.750	1.00
11_F	15_T	0.746	1.00
38_V	42_L	0.745	1.00
63_T	66_K	0.745	1.00
11_F	24_F	0.743	1.00
21_L	52_I	0.742	1.00
24_F	67_Y	0.739	1.00
62_E	66_K	0.735	1.00
35_I	91_K	0.729	1.00
43_D	52_I	0.715	1.00
23_D	35_I	0.705	1.00
30_G	33_K	0.699	1.00
94_E	98_E	0.684	1.00
17_E	80_D	0.683	1.00
27_P	58_D	0.680	1.00
19_V	80_D	0.667	1.00
60_N	63_T	0.655	1.00
21_L	96_L	0.653	1.00
99_L	102_K	0.653	1.00
46_M	50_L	0.647	1.00
46_M	49_K	0.646	1.00
24_F	57_V	0.644	1.00
5_K	53_V	0.641	1.00
21_L	100_V	0.641	1.00
28_W	33_K	0.630	1.00
24_F	69_V	0.629	1.00
25_W	56_D	0.628	1.00
11_F	22_A	0.624	1.00
41_E	44_Q	0.619	1.00
22_A	53_V	0.615	1.00
18_G	80_D	0.611	1.00
61_Q	64_A	0.611	1.00
25_W	72_I	0.609	1.00
10_S	53_V	0.607	1.00
69_V	74_T	0.598	1.00
6_A	22_A	0.596	1.00
23_D	31_P	0.591	1.00
78_L	83_V	0.591	1.00
31_P	34_M	0.587	1.00
31_P	71_S	0.587	1.00
34_M	38_V	0.586	1.00
11_F	63_T	0.584	1.00
21_L	77_V	0.576	1.00
27_P	33_K	0.575	1.00
13_A	16_S	0.575	1.00
62_E	65_G	0.566	1.00
26_A	29_C	0.565	1.00
5_K	27_P	0.565	1.00
81_G	85_E	0.562	1.00
10_S	13_A	0.559	1.00
35_I	39_L	0.559	1.00
18_G	49_K	0.556	1.00
4_V	20_V	0.556	1.00
30_G	34_M	0.555	1.00
55_I	60_N	0.542	0.99
24_F	76_L	0.535	0.99
41_E	45_E	0.529	0.99
79_K	82_E	0.520	0.99
14_E	53_V	0.513	0.99
6_A	10_S	0.510	0.99
70_M	86_T	0.510	0.99
14_E	17_E	0.506	0.99
18_G	48_D	0.505	0.99
45_E	101_N	0.505	0.99
39_L	96_L	0.501	0.99
5_K	25_W	0.500	0.99
25_W	29_C	0.500	0.99

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
3f8uA	2	1	99.8	0.149	Contact Map
2r2jA	2	0.9712	99.8	0.166	Contact Map
2b5eA	1	1	99.8	0.174	Contact Map
3apoA	1	0.9231	99.8	0.175	Contact Map
3ed3A	1	1	99.8	0.198	Contact Map
4ekzA	1	1	99.8	0.201	Contact Map
1sjiA	2	0.9904	99.8	0.213	Contact Map
3us3A	2	0.9904	99.8	0.214	Contact Map
4tveA	1	1	99.8	0.214	Contact Map
4i6xA	1	0.9904	99.8	0.229	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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