AtTRB1–3 Mediates Structural Changes in AtPOT1b to Hold ssDNA

Table 9

Statistical analysis of HADDOCK results for each complex.

Protein-nucleotide; complex (ssDNA)	AtPOT1b-ssDNA	AtTRB1 induced; AtPOT1b-ssDNA	AtTRB2 induced; AtPOT1b-ssDNA	AtTRB3 induced; AtPOT1b-ssDNA
Haddock score	−1.7±4.8	−53.0±14.0	−54.3±9.3	−63.8±7.6
RMSD (Å)	0.925	1.815	1.455	2.304
Van der Waals energy (kJ/mol)	−80.7±7.1	−77.6±3.1	−76.2±4.3	−77.3±8.5
Electrostatic energy (kJ/mol)	−576.9±66.4	−659.2±10.1	−672.2±12.3	−659.3±82.1
Buried surface area (Å^2)	1956.0±185.7	2019.4±107.8	1955.8±99.3	2003.5±84.4
Binding energy (kcal/mol)	−11580.27	−18431.65	−17323.66	−17513.71
Protein-nucleotide; complex (dsDNA)	AtPOT1b-dsDNA	AtTRB1 induced; AtPOT1b-dsDNA	AtTRB2 induced; AtPOT1b-dsDNA	AtTRB3 induced; AtPOT1b-dsDNA
Haddock score	−4.3±6.8	−31.5±5.3	−36.1±12.5	−31.5±7.4
RMSD (Å)	0.9±0.1	5.1±0.1	0.9±0.6	0.9±0.5
Van der Waals energy (kJ/mol)	−84.1±3.9	−86.8±5.5	−77.0±6.2	−64.8±3.2
Electrostatic energy (kJ/mol)	−606.6±30.6	−402.5±31.8	−637.4±29.8	−637.9±55.5
Buried surface area (Å^2)	1987.9±89.2	1819.7±19.2	1970.8±131.4	1857.3±130.0
Binding energy (kcal/mol)	−1421.9	−1680.84	−1767.63	−1702.43