The Protein Coil Library: The Derived Unordered Fragment Library

Torsion Angle Defintions

The torsion angle definitions listed below are identical to those given in Lovell, S.C., et. al. "The Penultimate Rotamer Library." Proteins 40:389-408. They are standard in the protein nomenclature.

Backbone Angle Defintions

Torsion Atom #1 Atom #2 Atom #3 Atom #4
φCi-1NiCAiCi
ψNiCAiCiNi+1
ωCAi-1Ci-1NiCAi

χ1 Angle Defintions

Amino Acid Atom #1 Atom #2 Atom #3 Atom #4
ARGNCACBCG
ASNNCACBCG
ASPNCACBCG
CYSNCACBSG
SERNCACBOG
GLNNCACBCG
GLUNCACBCG
HISNCACBCG
ILENCACBCG1
LEUNCACBCG
LYSNCACBCG
METNCACBCG
PHENCACBCG
PRONCACBCG
THRNCACBOG1
TRPNCACBCG
TYRNCACBCG
VALNCACBCG1
GLXNCACBCG
ASXNCACBCG
CYXNCACBCG
PCANCACBCG

χ2 Angle Defintions

Amino Acid Atom #1 Atom #2 Atom #3 Atom #4
ARGCACBCGCD
ASNCACBCGOD1
ASPCACBCGOD1
ASXCACBCGOD1
GLNCACBCGCD
GLUCACBCGCD
GLXCACBCGCD
HISCACBCGND1
ILECACBCG1CD1
LEUCACBCGCD1
LYSCACBCGCD
METCACBCGSD
PHECACBCGCD1
PROCACBCGCD
TRPCACBCGCD1
TYRCACBCGCD1

χ3 Angle Defintions

Amino Acid Atom #1 Atom #2 Atom #3 Atom #4
ARGCBCGCDNE
GLNCBCGCDOE1
GLUCBCGCDOE1
GLXCBCGCDOE1
LYSCBCGCDCE
METCBCGSDCE

χ4 Angle Defintions

Amino Acid Atom #1 Atom #2 Atom #3 Atom #4
ARGCGCDNECZ
LYSCGCDCENZ

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