THIO - ECOLI - GREMLIN Contacts

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THIO - Thioredoxin-1

UniProt:	P0AA25	Sequences: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11031
Length:	109 (100)
Sequences:	11573 (7830)
Seq/√Len:	783.0

ECOLI - THIO THIO2 YBBN
BACSU - YDFQ THIO BDBA YUSE YDBP YTPP YNEN
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
61_I	68_A	2.784	1.00
45_E	97_K	2.462	1.00
14_D	70_K	2.273	1.00
8_L	57_A	2.269	1.00
49_E	101_K	2.153	1.00
10_D	66_G	2.138	1.00
49_E	97_K	2.118	1.00
80_L	90_T	2.096	1.00
96_S	99_Q	2.054	1.00
101_K	105_D	1.973	1.00
60_N	63_Q	1.847	1.00
10_D	67_T	1.839	1.00
14_D	19_K	1.799	1.00
50_Y	101_K	1.776	1.00
22_G	55_T	1.752	1.00
87_V	90_T	1.741	1.00
33_C	36_C	1.708	1.00
71_Y	82_F	1.700	1.00
61_I	76_I	1.694	1.00
80_L	87_V	1.683	1.00
27_D	58_K	1.654	1.00
24_I	55_T	1.651	1.00
43_L	56_V	1.616	1.00
99_Q	102_E	1.576	1.00
10_D	64_N	1.575	1.00
42_I	45_E	1.572	1.00
9_T	12_S	1.522	1.00
42_I	97_K	1.483	1.00
91_K	95_L	1.476	1.00
89_A	103_F	1.470	1.00
50_Y	105_D	1.465	1.00
23_A	81_L	1.441	1.00
31_E	60_N	1.419	1.00
25_L	43_L	1.410	1.00
24_I	57_A	1.361	1.00
17_V	24_I	1.335	1.00
25_L	79_L	1.332	1.00
91_K	103_F	1.329	1.00
46_I	56_V	1.322	1.00
94_A	99_Q	1.271	1.00
46_I	101_K	1.248	1.00
97_K	101_K	1.242	1.00
39_I	79_L	1.176	1.00
59_L	67_T	1.154	1.00
46_I	97_K	1.111	1.00
50_Y	53_K	1.082	1.00
81_L	103_F	1.061	1.00
9_T	64_N	1.047	1.00
26_V	82_F	1.038	1.00
29_W	58_K	1.032	1.00
7_H	58_K	1.025	1.00
65_P	69_P	1.019	1.00
40_A	44_D	1.012	1.00
95_L	99_Q	0.996	1.00
83_K	88_A	0.991	1.00
27_D	40_A	0.976	1.00
40_A	58_K	0.976	1.00
44_D	58_K	0.971	1.00
79_L	100_L	0.964	1.00
46_I	50_Y	0.940	1.00
6_I	55_T	0.922	1.00
39_I	42_I	0.916	1.00
39_I	100_L	0.915	1.00
15_T	19_K	0.914	1.00
23_A	83_K	0.911	1.00
28_F	71_Y	0.876	1.00
86_E	89_A	0.873	1.00
66_G	70_K	0.868	1.00
14_D	18_L	0.852	1.00
59_L	68_A	0.852	1.00
95_L	103_F	0.826	1.00
25_L	56_V	0.823	1.00
7_H	63_Q	0.814	1.00
53_K	105_D	0.800	1.00
66_G	69_P	0.798	1.00
81_L	104_L	0.795	1.00
43_L	79_L	0.795	1.00
38_M	94_A	0.793	1.00
6_I	17_V	0.788	1.00
29_W	60_N	0.784	1.00
12_S	57_A	0.778	1.00
46_I	100_L	0.767	1.00
47_A	56_V	0.761	1.00
34_G	37_K	0.760	1.00
54_L	104_L	0.743	1.00
42_I	96_S	0.738	1.00
102_E	105_D	0.732	1.00
50_Y	54_L	0.729	1.00
21_D	84_N	0.717	1.00
28_F	61_I	0.715	1.00
103_F	106_A	0.702	1.00
45_E	48_D	0.700	1.00
31_E	62_D	0.694	1.00
29_W	76_I	0.690	1.00
67_T	70_K	0.690	1.00
28_F	73_I	0.672	1.00
98_G	102_E	0.670	1.00
64_N	67_T	0.663	1.00
89_A	106_A	0.662	1.00
39_I	95_L	0.654	1.00
82_F	87_V	0.644	1.00
8_L	17_V	0.636	1.00
48_D	51_Q	0.636	1.00
27_D	39_I	0.633	1.00
27_D	35_P	0.631	1.00
22_G	84_N	0.624	1.00
42_I	46_I	0.622	1.00
8_L	12_S	0.614	1.00
15_T	20_A	0.611	1.00
13_F	67_T	0.610	1.00
7_H	31_E	0.608	1.00
74_R	90_T	0.606	1.00
28_F	80_L	0.604	1.00
21_D	24_I	0.602	1.00
65_P	68_A	0.601	1.00
13_F	71_Y	0.597	1.00
35_P	75_G	0.588	1.00
39_I	94_A	0.586	1.00
25_L	100_L	0.585	1.00
59_L	64_N	0.584	1.00
6_I	57_A	0.582	1.00
28_F	59_L	0.582	1.00
22_G	53_K	0.582	1.00
25_L	104_L	0.573	1.00
13_F	28_F	0.570	1.00
39_I	43_L	0.565	1.00
32_W	62_D	0.564	1.00
22_G	52_G	0.563	1.00
79_L	91_K	0.563	1.00
98_G	101_K	0.562	1.00
12_S	15_T	0.561	1.00
35_P	38_M	0.560	1.00
13_F	17_V	0.556	1.00
102_E	106_A	0.554	1.00
73_I	78_T	0.553	1.00
83_K	86_E	0.547	1.00
32_W	76_I	0.543	1.00
42_I	94_A	0.542	1.00
31_E	63_Q	0.536	1.00
7_H	29_W	0.536	1.00
34_G	38_M	0.534	1.00
30_A	62_D	0.533	1.00
38_M	42_I	0.532	1.00
26_V	57_A	0.532	1.00
6_I	24_I	0.525	1.00
23_A	84_N	0.524	1.00
75_G	92_V	0.521	1.00
20_A	55_T	0.515	1.00
25_L	81_L	0.510	1.00
13_F	26_V	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
3f8uA	2	0.9725	99.8	0.144	Contact Map
2r2jA	2	0.945	99.8	0.148	Contact Map
3apoA	1	0.9174	99.8	0.16	Contact Map
2b5eA	1	0.9908	99.8	0.165	Contact Map
4ekzA	1	0.9908	99.8	0.188	Contact Map
3ed3A	1	1	99.8	0.193	Contact Map
1sjiA	2	0.9817	99.8	0.196	Contact Map
3us3A	2	0.9817	99.7	0.199	Contact Map
4kcaA	2	0.9633	99.7	0.203	Contact Map
3bj5A	1	0.9633	99.7	0.211	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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