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Free energy diagram of n-butane as a function of dihedral angle. In stereochemistry, a torsion angle is defined as a particular example of a dihedral angle, describing the geometric relation of two parts of a molecule joined by a chemical bond. [4] [5] Every set of three non-colinear atoms of a molecule defines a half-plane. As explained above ...
In biochemistry, a Ramachandran plot (also known as a Rama plot, a Ramachandran diagram or a [φ,ψ] plot), originally developed in 1963 by G. N. Ramachandran, C. Ramakrishnan, and V. Sasisekharan, [1] is a way to visualize energetically allowed regions for backbone dihedral angles ( also called as torsional angles , phi and psi angles ) ψ ...
Torsion of a square section bar Example of torsion mechanics. In the field of solid mechanics, torsion is the twisting of an object due to an applied torque [1] [2].Torsion could be defined as strain [3] [4] or angular deformation [5], and is measured by the angle a chosen section is rotated from its equilibrium position [6].
PREDITOR was designed to exploit these experimental observations and to help NMR spectroscopists easily predict protein torsion angles from chemical shift assignments. Specifically, PREDITOR accepts protein sequence and/or chemical shift data as input and generates torsion angle predictions for phi, psi, omega and chi-1 angles. The algorithm ...
Protein torsion angles are calculated for phi, psi, omega (which corresponds to the peptide bond) and chi1 (the first side chain torsion angle) using standard IUPAC definitions. These values are listed under four different column headers: PHI, PSI, OMEGA and CHI1. All torsion angles are reported in degrees.
Torsion angle prediction from chemical shifts: Torsion angles are predicted from chemical shifts by PREDITOR. [4] Chemical shift threading: Backbone Phi and Psi torsion angles predicted from chemical shifts by PREDITOR [4] are mapped into nine different regions in Ramachandran space, each of which are assigned specific letters. A protein can be ...
where J is the 3 J coupling constant, is the dihedral angle, and A, B, and C are empirically derived parameters whose values depend on the atoms and substituents involved. [3] The relationship may be expressed in a variety of equivalent ways e.g. involving cos 2φ rather than cos 2 φ —these lead to different numerical values of A , B , and C ...
The torsion constant or torsion coefficient is a geometrical property of a bar's cross-section. It is involved in the relationship between angle of twist and applied torque along the axis of the bar, for a homogeneous linear elastic bar. The torsion constant, together with material properties and length, describes a bar's torsional stiffness.