Parameter Descriptions

DNA Features Category Unit Description Reference
0 Direction Structural degree In DNA, direction signifies the orientation of the DNA strands. DNA typically runs in a 5' to 3' direction, which is important for processes like DNA replication and transcription. 8402210
1 Enthalpy Thermodynamic kcal/mol Enthalpy is the total heat content in a system. In DNA studies, it's vital for understanding the heat energy involved in processes like DNA melting, where hydrogen bonds holding the strands together are broken. 15139820
2 Entropy Thermodynamic e.u. Entropy quantifies the level of disorder or randomness in a system. In DNA thermodynamics, it reflects how chaotic or structured the DNA molecule is, which influences DNA melting and other reactions. 15139820
3 Free energy Thermodynamic kcal/mol Free energy combines enthalpy and entropy to predict whether a reaction will occur spontaneously. In DNA, it helps determine the stability of DNA structures and whether DNA strands will separate during processes like denaturation. 15139820
4 Major Groove Clash size Structural Å The major groove of DNA is a wide gap between the two strands. Major groove clash size measures the available space in this region, important for understanding how molecules interact with DNA and fit into this region. 7897660
5 Major Groove Distance Structural Å Major groove distance measures how far apart the two DNA strands are within the major groove. It tells us about the width of this structurally significant feature. 7897660
6 Melting Temperature Thermodynamic °C Melting temperature (Tm) is the temperature at which DNA strands separate due to the breaking of hydrogen bonds. It's a crucial parameter for studying DNA stability and denaturation. 7897660
7 Minor Groove Clash size Structural Å The minor groove of DNA is narrower than the major groove. Minor groove clash size measures the available space in this region, relevant for molecular interactions with DNA. 7897660
8 Minor Groove Distance Structural Å Minor groove distance measures the separation between the two DNA strands within the narrower minor groove. It gives insight into the width of this structural feature. 7897660
11 Propeller Twist Structural degree Propeller twist characterizes the twisting or rotation of DNA base pairs within the double helix. It reveals how the base pairs deviate from a flat, planar alignment. 33621338
12 Rise Structural Å Rise measures the vertical distance between adjacent base pairs in the DNA helix. It shows how the DNA molecule "steps up" as it extends along its length. 15562006
13 Rise stiffness Mechanical kcal/mol Å Rise stiffness quantifies how resistant DNA is to changes in the vertical rise between base pairs. It indicates how flexible or rigid DNA is regarding vertical displacement. 18072969
14 Rise rise force constant Physicochemical kcal/mol angstroem^2 Rise rise force constant relates to the force constant associated with changes in the vertical rise between base pairs. It quantifies the energy required to alter the vertical spacing of base pairs. 14581192
15 Roll Structural degree Roll is a structural parameter that quantifies the rotational orientation of base pairs within the DNA double helix. It describes how the base pairs twist or roll around the helix axis. 15562006
16 Roll stiffness Mechanical kcal/mol degree Roll stiffness is a property of DNA that measures its resistance to changes in the roll angle. In other words, it tells us how difficult it is to twist the DNA molecule. 18072969
17 Roll-rise force constant Physicochemical kcal/mol degree Å Roll-rise force constant is associated with the force constant required to simultaneously alter the roll angle and the vertical rise of base pairs. It quantifies the energy needed for changes in both roll and vertical displacement. 14581192
18 Roll-roll force constant Physicochemical kcal/mol degree^2 Roll-roll force constant quantifies the energy needed to change the roll angle of DNA. It reflects how DNA resists alterations in its rotational orientation. 14581192
19 Roll-shift force constant Physicochemical kcal/mol degree Å Roll-shift force constant measures DNA's resistance to changes in both roll and lateral displacement (shift) of base pairs. It characterizes how DNA maintains its rolling orientation while accommodating lateral shifts. 14581192
20 Roll-slide force constant Physicochemical kcal/mol degree Å Roll-slide force constant represents the force constant associated with changes in both roll and slide angles of DNA. It quantifies how DNA resists changes in both rolling and lateral sliding between base pairs. 14581192
21 Shift Structural Å Shift is a structural parameter that describes the lateral displacement of one base pair with respect to its neighboring base pairs within the DNA double helix. It characterizes local structural variations. 15562006
22 Shift-stiffness Mechanical kcal/mol Å Shift stiffness is a property of DNA that indicates how resistant the molecule is to lateral shifting. It quantifies the rigidity of DNA concerning lateral displacement of base pairs. 18072969
23 Shift-rise force constant Physicochemical kcal/mol Å^2 Shift-rise force constant relates to the force constant required to alter both the lateral shift and the vertical rise of base pairs. It quantifies the energy needed for changes in both lateral displacement and vertical spacing. 14581192
24 Shift-shift force constant Physicochemical kcal/mol Å^2 Shift-shift force constant measures DNA's resistance to changes in the lateral displacement (shift) of base pairs. It characterizes how DNA maintains its lateral alignment. 14581192
25 Shift-slide force constant Physicochemical kcal/mol Å^2 Shift-slide force constant represents the force constant associated with changes in both shift and slide angles of DNA. It quantifies how DNA resists changes in both lateral shifting and sliding between base pairs. 14581192
26 Slide Structural Å Slide is a structural parameter that quantifies the relative lateral displacement of adjacent base pairs in the DNA double helix. It characterizes deviations from the regular stacking arrangement. 15562006
27 Slide stiffness Mechanical kcal/mol Å Slide stiffness is a property that quantifies DNA's resistance to lateral sliding between base pairs. It indicates how rigid DNA is concerning lateral motion. 18072969
28 Slide-rise force constant Physicochemical kcal/mol Å^2 Slide-rise force constant is related to the force constant required to alter both the lateral slide and the vertical rise of base pairs. It quantifies the energy needed for changes in both lateral sliding and vertical displacement. 14581192
29 Slide-slide force constant Physicochemical kcal/mol Å^2 Slide-slide force constant measures DNA's resistance to changes in the lateral displacement (slide) of base pairs. It characterizes how DNA maintains its lateral arrangement. 14581192
30 Stacking energy B DNA Structural kcal/mol Stacking energy in B-DNA refers to the energy associated with the attractive forces between adjacent base pairs in the DNA double helix. It's a critical structural feature that contributes to DNA stability, helping to hold the two strands together in the double helix. 33621338
31 Tilt Structural degree Tilt refers to the angular deviation between adjacent base pairs in a DNA double helix. It's a structural parameter that characterizes the bending of DNA. 15562006
32 Tilt stiffness Mechanical kcal/mol degree Tilt stiffness is a property of DNA that indicates how resistant the molecule is to changes in its tilt angle. It quantifies the rigidity of DNA concerning tilt. 18072969
33 Tilt-rise force constant Physicochemical kcal/mol degree Å This physicochemical property represents the force constant associated with alterations in both tilt and rise of base pairs. It's a measure of the energy required to change the tilt and vertical displacement of base pairs. 14581192
34 Tilt-roll force constant Physicochemical kcal/mol degree^2 Tilt-roll force constant quantifies the energy cost of changing both tilt and roll angles in DNA. It's a physicochemical characteristic reflecting DNA's resistance to twisting and bending. 14581192
35 Tilt-shift force constant Physicochemical kcal/mol degree Å Tilt-shift force constant measures the resistance of DNA to simultaneous alterations in tilt and lateral displacement (shift) of base pairs. It relates to how DNA resists lateral shifting while maintaining its helical structure. 14581192
36 Tilt-slide force constant Physicochemical kcal/mol degree Å This physicochemical property represents the force constant associated with changes in both tilt and slide angles. It quantifies how DNA resists changes in tilt and lateral sliding between base pairs. 14581192
37 Tilt-tilt force constant Physicochemical kcal/mol degree^2 Tilt-tilt force constant describes the energy required to alter the tilt angle of DNA. It's a measure of how DNA responds to changes in its angular orientation. 14581192
38 Twist Structural degree Twist refers to the rotational angle between the two strands of DNA in a double helix. It characterizes the coiling or twisting of the DNA molecule. 15562006
39 Twist stiffness Mechanical kcal/mol degree Twist stiffness is a mechanical property indicating DNA's resistance to twisting forces. It quantifies the rigidity of DNA concerning its ability to maintain its helical twist. 18072969
40 Twist-rise force constant Physicochemical kcal/mol degree Å This physicochemical property relates to the force constant associated with changes in both twist and vertical rise of base pairs. It quantifies the energy required for altering twist and vertical spacing. 14581192
41 Twist-roll force constant Physicochemical kcal/mol degree^2 Twist-roll force constant quantifies the energy needed to change both twist and roll angles in DNA. It reflects the molecule's resistance to twisting and rolling motions. 14581192
42 Twist-shift force constant Physicochemical kcal/mol degree Å Twist-shift force constant measures DNA's resistance to changes in both twist and lateral displacement (shift) of base pairs. It characterizes how DNA maintains its twist while accommodating lateral shifts. 14581192
43 Twist-slide force constant Physicochemical kcal/mol degree Å This physicochemical property represents the force constant associated with alterations in both twist and slide angles. It quantifies how DNA resists changes in both its twist and lateral sliding between base pairs. 14581192
44 Twist-tilt force constant Physicochemical kcal/mol degree^2 Twist-tilt force constant quantifies the energy required to change both twist and tilt angles in DNA. It reflects the molecule's resistance to simultaneous twisting and bending. 14581192
45 Twist-twist force constant Physicochemical kcal/mol degree^2 Twist-twist force constant describes the force constant associated with changes in the twist angle of DNA. It quantifies the energy needed to alter the helical twist. 14581192
46 Wedge Structural degree Wedge is a structural feature that denotes the relative displacement of one base pair with respect to its neighboring base pairs within the DNA double helix. It characterizes local structural distortions. 8402210
47 B form to A form transition energy Thermodynamic kcal/mol The energy required or released during B form to A form DNA transition is known as the B-form to A-form DNA transition energy. The B-form to A-form DNA transition energy can be either positive or negative, depending on whether energy is absorbed or released during the transition. 11721003
48 Protein induced DNA deformability Mechanical deg^3Å^3 Blank 9736707
49 DNA denaturation energy Thermodynamic kcal/mol Blank 9649614; 10366657
50 Nucleosomal Positioning Structural % Blank 7816643
51 X Displacement Structural degree X Displacement is a parameter that characterizes the displacement of the base pairs along the x-axis.It describes how much the base pairs are shifted horizontally concerning each other in the DNA structure. 33621338
52 Y Displacement Structural degree Y Displacement is similar to X Displacement but refers to the vertical displacement of base pairs along the y-axis. It describes the vertical shift between adjacent base pairs in the DNA structure. 33621338
53 Inclination Structural degree Inclination is a measure of the tilt or slant of base pairs with respect to the helical axis. It provides information about the angular orientation of base pairs in the DNA double helix. 33621338
54 Tip Structural degree Tip is a parameter that characterizes the rotation of base pairs around the helical axis. It describes the twisting of base pairs in the DNA structure. 33621338
55 Axis Bend Structural degree Axis-Bend measures the bending of the DNA helical axis. It describes the curvature or bending of the overall DNA structure. 33621338
56 Shear Structural degree Shear is a parameter that characterizes the lateral shift between adjacent base pairs. It describes the sliding motion of one base pair relative to its neighboring pair in the DNA helix. 33621338
57 Stretch Structural degree Stretch measures the extension or compression of base pairs along the helical axis. It provides information about the lengthening or shortening of the DNA structure. 33621338
58 Stagger Structural degree Stagger is a parameter that describes the vertical displacement of consecutive base pairs. It provides information about the step-wise vertical arrangement of base pairs in the DNA double helix. 33621338
59 Buckle Structural degree Buckle measures the bending or bending-related deformations of the base pairs. It characterizes the bending of base pairs towards the minor groove or major groove. 33621338
60 Opening angle Structural degree It refers to the displacement or movement of one base pair relative to another within the same strand of the DNA double helix. 33621338
61 Helix Rise Structural degree Opening refers to the separation or displacement between the complementary nitrogenous bases of a DNA base pair. 33621338
62 Helix Twist Structural degree H-Rise is a backbone structural parameter that measures the rise or vertical displacement between consecutive base pairs in the DNA double helix. 33621338
63 Alpha Structural degree H-Twist is a structural parameter that measures the angular rotation between consecutive base pairs in the DNA structure. 33621338
64 Beta Structural degree Alpha (α) measures the rotation about the sugar-phosphate backbone axis, specifically involving the O3' atom of the sugar, the phosphate group, and the O5' atom of the adjacent sugar. 33621338
65 Gamma Structural degree Beta (β) measures the rotation about the phosphodiester bond axis, involving the atoms P, O5', C5', and C4'. 33621338
66 Delta Structural degree Gamma (γ) measures the rotation about the phosphodiester bond axis, involving the atoms O5', C5', C4', and C3'. 33621338
67 Epsilon Structural degree Delta (δ) measures the rotation about the sugar-phosphate backbone axis, specifically involving the atoms C5', C4', C3', and O3'. 33621338
68 Zeta Structural degree Epsilon(ε) is a dihedral angle parameter associated with the DNA backbone structure. Dihedral angles describe the rotation about chemical bonds. In the context of DNA, epsilon is one of the angles characterizing the twist of the DNA backbone. 33621338
69 Chi Structural degree Zeta(ζ) is another dihedral angle parameter related to the DNA backbone structure. Zeta contributes to the description of the twist in the DNA structure. These dihedral angles help define the three-dimensional conformation of the DNA molecule. 33621338
70 Phase Structural degree Chi(χ) is a dihedral angle associated with the rotation around the glycosidic bond in the DNA backbone. It specifically characterizes the orientation of the nucleotide base with respect to the sugar molecule. Different values of chi represent different conformations of the nucleotide base. 33621338
71 Amplitude Structural degree The phase angle is related to the torsional angle between adjacent base pairs and contributes to the overall understanding of the spatial arrangement of bases in DNA. 33621338