CAP: conformation angles package-displaying the conformation angles of side chains in proteins

SUMMARY: A graphics package has been developed to display all side chain conformation angles of the user selected residue in a given protein structure. The proposed package is incorporated with all the protein structures (solved using X-ray diffraction and NMR spectroscopy) available in the Protein Data Bank. The package displays the multiple conformations adopted by a single amino acid residue whose structure is solved and refined at very high resolution. In addition, it shows the percentage distribution of the side chain conformation angles in different rotameric states. AVAILABILITY: http://144.16.71.146/cap/     

Anthropometry of angles of scapula

Various angles viz. superior, medial, inferior, inferolateral, lateral, acromial and coracoid were studied in 42 scapulae of right side and 54 scapulae of left side. The angles have no correlation to that of opposite side. The correlation coefficient of each angle in relation to other angles on the same side was studied. Some of the angles showed significant correlation to that of the others.     

Acceptance angles of butterfly ommatidia

The ommatidial acceptance angle (angular sensitivity) of seven species of butterflies was determined by a novel technique. Measurements were based upon the fact that light adaptation produces a graded contraction of specific retinula cells with a concomitant reduction in the brillance of the observed reflection (glow). Measurements were, therefore, based upon the changes in the intensity of the reflections as an adapting light was moved to various spatial positions. Measurements were also made on the angle of illumination that would produce reflections, as well as the angle through which reflections could be observed. Average angles so determined were: half-linear sensitivity, 1°16′; reflection (acceptance), 2°47′; reflection (viewing), 9–10°; inter-ommatidial, 1°47′. These results suggest that the butterfly eye may have greater acuity than those of previously studied insects.     

Real-value prediction of backbone torsion angles

The backbone structure of a protein is largely determined by the phi and psi torsion angles. Thus, knowing these angles, even if approximately, will be very useful for protein-structure prediction. However, in a previous work, a sequence-based, real-value prediction of psi angle could only achieve a mean absolute error of 54 degrees (83 degrees, 35 degrees, 33 degrees for coil, strand, and helix residues, respectively) between predicted and actual angles. Moreover, a real-value prediction of phi angle is not yet available. This article employs a neural-network based approach to improve psi prediction by taking advantage of angle periodicity and apply the new method to the prediction to phi angles. The 10-fold-cross-validated mean absolute error for the new method is 38 degrees (58 degrees, 33 degrees, 22 degrees for coil, strand, and helix, respectively) for psi and 25 degrees (35 degrees, 22 degrees, 16 degrees for coil, strand, and helix, respectively) for phi. The accuracy of real-value prediction is comparable to or more accurate than the predictions based on multistate classification of the phi-psi map. More accurate prediction of real-value angles will likely be useful for improving the accuracy of fold recognition and ab initio protein-structure prediction. The Real-SPINE 2.0 server is available on the website http://sparks.informatics.iupui.edu.     

A simple method to obtain consistent and clinically meaningful pelvic angles from euler angles during gait analysis

Clinical gait analysis usually describes joint kinematics using Euler angles, which depend on the sequence of rotation. Studies have shown that pelvic obliquity angles from the traditional tilt-obliquity-rotation (TOR) Euler angle sequence can deviate considerably from clinical expectations and have suggested that a rotation-obliquity-tilt (ROT) Euler angle sequence be used instead. We propose a simple alternate approach in which clinical joint angles are defined and exactly calculated in terms of Euler angles from any rotation sequence. Equations were derived to calculate clinical pelvic elevation, progression, and lean angles from TOR and ROT Euler angles. For the ROT Euler angles, obliquity was exactly the same as the clinical elevation angle, rotation was similar to the clinical progression angle, and tilt was similar to the clinical lean angle. Greater differences were observed for TOR. These results support previous findings that ROT is preferable to TOR for calculating pelvic Euler angles for clinical interpretation. However, we suggest that exact clinical angles can and should be obtained through a few extra calculations as demonstrated in this technical note.     

Examining multiprotein signaling complexes from all angles

Dynamic protein-protein interactions are involved in most physiological processes and, in particular, for the formation of multiprotein signaling complexes at transmembrane receptors, adapter proteins and effector molecules. Because the unregulated induction of signaling complexes has substantial clinical relevance, the investigation of these complexes is an active area of research. These studies strive to answer questions about the composition and function of multiprotein signaling complexes, along with the molecular mechanisms of their formation. In this review, the adapter protein, linker for activation of T cells (LAT), will be employed as a model to exemplify how signaling complexes are characterized using a range of techniques. The intensive investigation of LAT highlights how the systematic use of complementary techniques leads to an integrated understanding of the formation, composition and function of multiprotein signaling complexes that occur at receptors, adapter proteins and effector molecules.     

Protein secondary structure prediction with dihedral angles

We present DESTRUCT, a new method of protein secondary structure prediction, which achieves a three-state accuracy (Q3) of 79.4% in a cross-validated trial on a nonredundant set of 513 proteins. An iterative set of cascade-correlation neural networks is used to predict both secondary structure and psi dihedral angles, with predicted values enhancing the subsequent iteration. Predictive accuracies of 80.7% and 81.7% are achieved on the CASP4 and CASP5 targets, respectively. Our approach is significantly more accurate than other contemporary methods, due to feedback and a novel combination of structural representations.     

Influence of angles occlusion in periodontal diseases

It is of interest to document the known relationship between periodontal status and Angle''s malocclusion types. We used 26092 case records of patients between 16 to 50 years of age with no gender restrictions. Variables such as age, gender, periodontal diagnosis and type of Angle''s occlusion were extracted and tabulated. Statistical analysis was completed using chi square test in the SPSS software version 20. Data shows that the majority (95.27%) had Angle''s class I occlusion and less than 5% had class II and Class III occlusion. Statistical analysis of class II and Class III cases with 1000 randomly selected cases of class I occlusion show a significant difference in the periodontal status between different types of Angle''s occlusion. Chronic periodontitis was more in class I (10.4%) and it was the lowest in Class II Div 2 (4.3%) occlusion. Class II Div 1(23.8%) and Class III (17%) had the highest and lowest proportion of clinically healthy periodontium, respectively. Thus, we report that angles occlusion types had significant influence on periodontal status along with the other determinants.     

Globographic visualisation of three dimensional joint angles

Three different methods for describing three dimensional joint angles are commonly used in biomechanics. The joint coordinate system and Cardan/Euler angles are conceptually quite different but are known to represent the same underlying mathematics. More recently the globographic method has been suggested as an alternative and this has proved particularly attractive for the shoulder joint. All three methods can be implemented in a number of ways leading to a choice of angle definitions. Very recently Rab has demonstrated that the globographic method is equivalent to one implementation of the joint coordinate system. This paper presents a rigorous analysis of the three different methods and proves their mathematical equivalence. The well known sequence dependence of Cardan/Euler is presented as equivalent to configuration dependence of the joint coordinate system and orientation dependence of globographic angles. The precise definition of different angle sets can be easily visualised using the globographic method using analogues of longitude, latitude and surface bearings with which most users will already be familiar. The method implicitly requires one axis of the moving segment to be identified as its principal axis and this can be extremely useful in helping define the most appropriate angle set to describe the orientation of any particular joint. Using this technique different angle sets are considered to be most appropriate for different joints and examples of this for the hip, knee, ankle, pelvis and axial skeleton are outlined.     

Individualized optimal release angles in discus throwing

The purpose of this study was to determine individualized optimal release angles for elite discus throwers. Three-dimensional coordinate data were obtained for at least 10 competitive trials for each subject. Regression relationships between release speed and release angle, and between aerodynamic distance and release angle were determined for each subject. These relationships were linear with subject–specific characteristics. The subject–specific relationships between release speed and release angle may be due to subjects’ technical and physical characteristics. The subject–specific relationships between aerodynamic distance and release angle may be due to interactions between the release angle, the angle of attack, and the aerodynamic distance. Optimal release angles were estimated for each subject using the regression relationships and equations of projectile motion. The estimated optimal release angle was different for different subjects, and ranged from 35° to 44°. The results of this study demonstrate that the optimal release angle for discus throwing is thrower-specific. The release angles used by elite discus throwers in competition are not necessarily optimal for all discus throwers, or even themselves. The results of this study provide significant information for understanding the biomechanics of discus throwing techniques.     

General method for calculating helical parameters of polymer chains from bond lengths,bond angles,and internal-rotation angles

Helical conformations of infinite polymer chains may be described by the helical parameters, d and θ (the translation along the helix axis and the angle of rotation about the axis per repeat unit), _pi (the distance of the ith atom from the axis), d_ij, and d_ij (the translation along the axis and the angle of rotation, respectively, on passing from the ith atom to the jth). A general method has been worked out for calculating all those helical parameters from the bond lengths, bond angles, and internal-rotation angles. The positions of the main chain and side chain atoms with respect to the axis may also be calculated. All the equations are applicable to any helical polymer chain and are readily programmed for electronic computers. A method is also presented for calculating the partial derivatives of helical parameters with respect to molecular parameters.     

Calculation of helix packing angles in protein structures

Software is presented for the calculation of packing angles and geometry of helical secondary structure elements in protein structures. AVAILABILITY: C language source code and documentation is available from http://www.bioinformatics.leeds.ac.uk.     

The ten helical twist angles of B-DNA.

On the assumption that the twist angles between adjacent base-pairs in the DNA molecule are additive a linear system of 40 equations was derived from experimental measurements of the total twist angles for different pieces of DNA of known sequences. This system of equations is found to be statistically consistent providing a solution for all ten possible twist angles of B-DNA by a least squares fitting procedure. Four of the calculated twist angles were not known before (tau AC, tau AG, tau CA, tau TA). The other six twist angles calculated are very close to the experimentally measured ones (tau AA, tau AT, tau CC, tau OG, tau GA, tau GC). The data used were obtained by the electrophoretic band-shift method (1-3), crystallography (4) and nuclease digestion of DNA adsorbed to mica or Ca-phosphate surface (5,6). The validity of the principle of additivity of the twist angles implies that the angle between any particular two base-pairs is a function of only these base-pairs, independent of nearest neighbours.