Source code for propy.CTD

# propy3, formerly protpy, is a Python package to compute protein descriptors
# Copyright (C) 2010 Dongsheng Cao and Yizeng Liang, oriental-cds@163.com
# Copyright (C) 2020-2022 Martin Thoma

# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License
# as published by the Free Software Foundation; in version 2
# of the License.

# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU General Public License for more details.

# You should have received a copy of the GNU General Public License
# along with this program; if not, write to the Free Software
# Foundation, Inc., 51 Franklin Street, Fifth Floor,
# Boston, MA  02110-1301, USA.
"""
Compute the composition, transition and distribution descriptors based on the
different properties of AADs.

The AADs with the same properties is marked as the same number. You can get 147
descriptors for a given protein sequence.

References
----------
.. [1] Inna Dubchak, Ilya Muchink, Stephen R.Holbrook and Sung-Hou Kim.
       Prediction of protein folding class using global description of amino
       acid sequence. Proc.Natl. Acad.Sci.USA, 1995, 92, 8700-8704.

.. [2] Inna Dubchak, Ilya Muchink, Christopher Mayor, Igor Dralyuk and Sung-Hou
       Kim. Recognition of a Protein Fold in the Context of the SCOP
       classification. Proteins: Structure, Function and
       Genetics, 1999, 35, 401-407.
"""

# Core Library
import copy
import math
from typing import Any, Dict

_Hydrophobicity = {"1": "RKEDQN", "2": "GASTPHY", "3": "CLVIMFW"}
# '1'stand for Polar; '2'stand for Neutral, '3' stand for Hydrophobicity

_NormalizedVDWV = {"1": "GASTPDC", "2": "NVEQIL", "3": "MHKFRYW"}
# '1'stand for (0-2.78); '2'stand for (2.95-4.0), '3' stand for (4.03-8.08)

_Polarity = {"1": "LIFWCMVY", "2": "PATGS", "3": "HQRKNED"}
# '1'stand for (4.9-6.2); '2'stand for (8.0-9.2), '3' stand for (10.4-13.0)

_Charge = {"1": "KR", "2": "ANCQGHILMFPSTWYV", "3": "DE"}
# '1'stand for Positive; '2'stand for Neutral, '3' stand for Negative

_SecondaryStr = {"1": "EALMQKRH", "2": "VIYCWFT", "3": "GNPSD"}
# '1'stand for Helix; '2'stand for Strand, '3' stand for coil

_SolventAccessibility = {"1": "ALFCGIVW", "2": "RKQEND", "3": "MPSTHY"}
# '1'stand for Buried; '2'stand for Exposed, '3' stand for Intermediate

_Polarizability = {"1": "GASDT", "2": "CPNVEQIL", "3": "KMHFRYW"}
# '1'stand for (0-0.108); '2'stand for (0.128-0.186), '3' stand for (0.219-0.409)


# You can continuely add other properties of AADs to compute descriptors of
# protein sequence.

_AATProperty = (
    _Hydrophobicity,
    _NormalizedVDWV,
    _Polarity,
    _Charge,
    _SecondaryStr,
    _SolventAccessibility,
    _Polarizability,
)

_AATPropertyName = (
    "_Hydrophobicity",
    "_NormalizedVDWV",
    "_Polarity",
    "_Charge",
    "_SecondaryStr",
    "_SolventAccessibility",
    "_Polarizability",
)


[docs]def StringtoNum(ProteinSequence: str, AAProperty: Dict[Any, Any]) -> str: """ Tranform the protein sequence into the string form such as 32123223132121123. Parameters ---------- ProteinSequence : str a pure protein sequence AAProperty: Dict[Any, Any] contains classifciation of amino acids such as _Polarizability. Returns ------- result : str e.g. 123321222132111123222 Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> AAProperty, AAPName = _Hydrophobicity, "_Hydrophobicity" >>> result = StringtoNum(protein, AAProperty) """ hardProteinSequence = copy.deepcopy(ProteinSequence) for k, m in list(AAProperty.items()): for index in m: hardProteinSequence = hardProteinSequence.replace(index, k) TProteinSequence = hardProteinSequence return TProteinSequence
[docs]def CalculateComposition( ProteinSequence: str, AAProperty: Dict[Any, Any], AAPName: str ) -> Dict[Any, Any]: """ Compute composition descriptors. Parameters ---------- ProteinSequence : str a pure protein sequence AAProperty : Dict[Any, Any] contains classifciation of amino acids such as _Polarizability. AAPName : str used for indicating a AAP name. Returns ------- result : Dict[Any, Any] contains composition descriptors based on the given property. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> AAProperty, AAPName = _Hydrophobicity, "_Hydrophobicity" >>> result = CalculateComposition(protein, AAProperty, AAPName) """ TProteinSequence = StringtoNum(ProteinSequence, AAProperty) result = {} num = len(TProteinSequence) result[AAPName + "C" + "1"] = round(float(TProteinSequence.count("1")) / num, 3) result[AAPName + "C" + "2"] = round(float(TProteinSequence.count("2")) / num, 3) result[AAPName + "C" + "3"] = round(float(TProteinSequence.count("3")) / num, 3) return result
[docs]def CalculateTransition( ProteinSequence: str, AAProperty: Dict[Any, Any], AAPName: str ) -> Dict[Any, Any]: """ Compute transition descriptors. Parameters ---------- ProteinSequence : str a pure protein sequence AAProperty : Dict[Any, Any] contains classifciation of amino acids such as _Polarizability. AAPName : str used for indicating a AAP name. Returns ------- result : Dict[Any, Any] contains transition descriptors based on the given property. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> AAProperty, AAPName = _Hydrophobicity, "_Hydrophobicity" >>> result = CalculateTransition(protein, AAProperty, AAPName) """ TProteinSequence = StringtoNum(ProteinSequence, AAProperty) Result = {} num = len(TProteinSequence) CTD = TProteinSequence Result[AAPName + "T" + "12"] = round( float(CTD.count("12") + CTD.count("21")) / (num - 1), 3 ) Result[AAPName + "T" + "13"] = round( float(CTD.count("13") + CTD.count("31")) / (num - 1), 3 ) Result[AAPName + "T" + "23"] = round( float(CTD.count("23") + CTD.count("32")) / (num - 1), 3 ) return Result
[docs]def CalculateDistribution( ProteinSequence: str, AAProperty: Dict[Any, Any], AAPName: str ) -> Dict[Any, Any]: """ Compute distribution descriptors. Parameters ---------- ProteinSequence : str a pure protein sequence. AAProperty : Dict[Any, Any] contains classifciation of amino acids such as _Polarizability AAPName : str Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on the given property. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> AAProperty, AAPName = _Hydrophobicity, "_Hydrophobicity" >>> result = CalculateDistribution(protein, AAProperty, AAPName) """ TProteinSequence = StringtoNum(ProteinSequence, AAProperty) Result: Dict[str, float] = {} Num = len(TProteinSequence) for i in ("1", "2", "3"): num = TProteinSequence.count(i) ink = 1 indexk = 0 cds = [] while ink <= num: indexk = TProteinSequence.find(i, indexk) + 1 cds.append(indexk) ink = ink + 1 if cds == []: Result[AAPName + "D" + i + "001"] = 0 Result[AAPName + "D" + i + "025"] = 0 Result[AAPName + "D" + i + "050"] = 0 Result[AAPName + "D" + i + "075"] = 0 Result[AAPName + "D" + i + "100"] = 0 else: Result[AAPName + "D" + i + "001"] = round(float(cds[0]) / Num * 100, 3) Result[AAPName + "D" + i + "025"] = round( float(cds[int(math.floor(num * 0.25)) - 1]) / Num * 100, 3 ) Result[AAPName + "D" + i + "050"] = round( float(cds[int(math.floor(num * 0.5)) - 1]) / Num * 100, 3 ) Result[AAPName + "D" + i + "075"] = round( float(cds[int(math.floor(num * 0.75)) - 1]) / Num * 100, 3 ) Result[AAPName + "D" + i + "100"] = round(float(cds[-1]) / Num * 100, 3) return Result
[docs]def CalculateCompositionHydrophobicity(ProteinSequence: str): """ Calculate composition descriptors based on Hydrophobicity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on Hydrophobicity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionHydrophobicity(protein) """ return CalculateComposition(ProteinSequence, _Hydrophobicity, "_Hydrophobicity")
[docs]def CalculateCompositionNormalizedVDWV(ProteinSequence: str): """ Calculate composition descriptors based on NormalizedVDWV of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on NormalizedVDWV. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionNormalizedVDWV(protein) """ return CalculateComposition(ProteinSequence, _NormalizedVDWV, "_NormalizedVDWV")
[docs]def CalculateCompositionPolarity(ProteinSequence: str): """ Calculate composition descriptors based on Polarity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on Polarity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionPolarity(protein) """ return CalculateComposition(ProteinSequence, _Polarity, "_Polarity")
[docs]def CalculateCompositionCharge(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate composition descriptors based on Charge of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on Charge. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionCharge(protein) """ return CalculateComposition(ProteinSequence, _Charge, "_Charge")
[docs]def CalculateCompositionSecondaryStr(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate composition descriptors based on SecondaryStr of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on SecondaryStr. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionSecondaryStr(protein) """ return CalculateComposition(ProteinSequence, _SecondaryStr, "_SecondaryStr")
[docs]def CalculateCompositionSolventAccessibility(ProteinSequence: str) -> Dict[Any, Any]: """ Clculate composition descriptors based on SolventAccessibility of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on SolventAccessibility. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionSolventAccessibility(protein) """ return CalculateComposition( ProteinSequence, _SolventAccessibility, "_SolventAccessibility" )
[docs]def CalculateCompositionPolarizability(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate composition descriptors based on Polarizability of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Composition descriptors based on Polarizability. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCompositionPolarizability(protein) """ return CalculateComposition(ProteinSequence, _Polarizability, "_Polarizability")
[docs]def CalculateTransitionHydrophobicity(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on Hydrophobicity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on Hydrophobicity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionHydrophobicity(protein) """ result = CalculateTransition(ProteinSequence, _Hydrophobicity, "_Hydrophobicity") return result
[docs]def CalculateTransitionNormalizedVDWV(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on NormalizedVDWV of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on NormalizedVDWV. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionNormalizedVDWV(protein) """ result = CalculateTransition(ProteinSequence, _NormalizedVDWV, "_NormalizedVDWV") return result
[docs]def CalculateTransitionPolarity(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on Polarity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on Polarity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionPolarity(protein) """ result = CalculateTransition(ProteinSequence, _Polarity, "_Polarity") return result
[docs]def CalculateTransitionCharge(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on Charge of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on Charge. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionCharge(protein) """ result = CalculateTransition(ProteinSequence, _Charge, "_Charge") return result
[docs]def CalculateTransitionSecondaryStr(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on SecondaryStr of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on SecondaryStr. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionSecondaryStr(protein) """ result = CalculateTransition(ProteinSequence, _SecondaryStr, "_SecondaryStr") return result
[docs]def CalculateTransitionSolventAccessibility(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on SolventAccessibility of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on SolventAccessibility. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionSolventAccessibility(protein) """ result = CalculateTransition( ProteinSequence, _SolventAccessibility, "_SolventAccessibility" ) return result
[docs]def CalculateTransitionPolarizability(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Transition descriptors based on Polarizability of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Transition descriptors based on Polarizability. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateTransitionPolarizability(protein) """ result = CalculateTransition(ProteinSequence, _Polarizability, "_Polarizability") return result
[docs]def CalculateDistributionHydrophobicity(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on Hydrophobicity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on Hydrophobicity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionHydrophobicity(protein) """ result = CalculateDistribution(ProteinSequence, _Hydrophobicity, "_Hydrophobicity") return result
[docs]def CalculateDistributionNormalizedVDWV(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on NormalizedVDWV of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on NormalizedVDWV. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionNormalizedVDWV(protein) """ result = CalculateDistribution(ProteinSequence, _NormalizedVDWV, "_NormalizedVDWV") return result
[docs]def CalculateDistributionPolarity(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on Polarity of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on Polarity. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionPolarity(protein) """ result = CalculateDistribution(ProteinSequence, _Polarity, "_Polarity") return result
[docs]def CalculateDistributionCharge(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on Charge of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on Charge. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionCharge(protein) """ result = CalculateDistribution(ProteinSequence, _Charge, "_Charge") return result
[docs]def CalculateDistributionSecondaryStr(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on SecondaryStr of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on SecondaryStr. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionSecondaryStr(protein) """ result = CalculateDistribution(ProteinSequence, _SecondaryStr, "_SecondaryStr") return result
[docs]def CalculateDistributionSolventAccessibility(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on SolventAccessibility of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on SolventAccessibility. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionSolventAccessibility(protein) """ result = CalculateDistribution( ProteinSequence, _SolventAccessibility, "_SolventAccessibility" ) return result
[docs]def CalculateDistributionPolarizability(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate Distribution descriptors based on Polarizability of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains Distribution descriptors based on Polarizability. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateDistributionPolarizability(protein) """ result = CalculateDistribution(ProteinSequence, _Polarizability, "_Polarizability") return result
[docs]def CalculateC(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate all composition descriptors based seven different properties of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains all composition descriptors. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateC(protein) """ result: Dict[Any, Any] = {} result.update(CalculateCompositionPolarizability(ProteinSequence)) result.update(CalculateCompositionSolventAccessibility(ProteinSequence)) result.update(CalculateCompositionSecondaryStr(ProteinSequence)) result.update(CalculateCompositionCharge(ProteinSequence)) result.update(CalculateCompositionPolarity(ProteinSequence)) result.update(CalculateCompositionNormalizedVDWV(ProteinSequence)) result.update(CalculateCompositionHydrophobicity(ProteinSequence)) return result
[docs]def CalculateT(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate all transition descriptors based seven different properties of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains all transition descriptors. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateT(protein) """ result: Dict[Any, Any] = {} result.update(CalculateTransitionPolarizability(ProteinSequence)) result.update(CalculateTransitionSolventAccessibility(ProteinSequence)) result.update(CalculateTransitionSecondaryStr(ProteinSequence)) result.update(CalculateTransitionCharge(ProteinSequence)) result.update(CalculateTransitionPolarity(ProteinSequence)) result.update(CalculateTransitionNormalizedVDWV(ProteinSequence)) result.update(CalculateTransitionHydrophobicity(ProteinSequence)) return result
[docs]def CalculateD(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate all distribution descriptors based seven different properties of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains all distribution descriptors. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateD(protein) """ result: Dict[Any, Any] = {} result.update(CalculateDistributionPolarizability(ProteinSequence)) result.update(CalculateDistributionSolventAccessibility(ProteinSequence)) result.update(CalculateDistributionSecondaryStr(ProteinSequence)) result.update(CalculateDistributionCharge(ProteinSequence)) result.update(CalculateDistributionPolarity(ProteinSequence)) result.update(CalculateDistributionNormalizedVDWV(ProteinSequence)) result.update(CalculateDistributionHydrophobicity(ProteinSequence)) return result
[docs]def CalculateCTD(ProteinSequence: str) -> Dict[Any, Any]: """ Calculate all CTD descriptors based seven different properties of AADs. Parameters ---------- ProteinSequence : str a pure protein sequence Returns ------- result : Dict[Any, Any] contains all CTD descriptors. Examples -------- >>> from propy.GetProteinFromUniprot import GetProteinSequence >>> protein = GetProteinSequence(ProteinID="Q9NQ39") >>> result = CalculateCTD(protein) """ result: Dict[Any, Any] = {} result.update(CalculateCompositionPolarizability(ProteinSequence)) result.update(CalculateCompositionSolventAccessibility(ProteinSequence)) result.update(CalculateCompositionSecondaryStr(ProteinSequence)) result.update(CalculateCompositionCharge(ProteinSequence)) result.update(CalculateCompositionPolarity(ProteinSequence)) result.update(CalculateCompositionNormalizedVDWV(ProteinSequence)) result.update(CalculateCompositionHydrophobicity(ProteinSequence)) result.update(CalculateTransitionPolarizability(ProteinSequence)) result.update(CalculateTransitionSolventAccessibility(ProteinSequence)) result.update(CalculateTransitionSecondaryStr(ProteinSequence)) result.update(CalculateTransitionCharge(ProteinSequence)) result.update(CalculateTransitionPolarity(ProteinSequence)) result.update(CalculateTransitionNormalizedVDWV(ProteinSequence)) result.update(CalculateTransitionHydrophobicity(ProteinSequence)) result.update(CalculateDistributionPolarizability(ProteinSequence)) result.update(CalculateDistributionSolventAccessibility(ProteinSequence)) result.update(CalculateDistributionSecondaryStr(ProteinSequence)) result.update(CalculateDistributionCharge(ProteinSequence)) result.update(CalculateDistributionPolarity(ProteinSequence)) result.update(CalculateDistributionNormalizedVDWV(ProteinSequence)) result.update(CalculateDistributionHydrophobicity(ProteinSequence)) return result