2KJ3

high-resolution structure of the het-s(218-289) prion in its amyloid form obtained by solid-state nmr

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 153
  • Norm. En. per Res.: -5.4401
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-265.4839	30.772	-585.464	-820.1759	155	50	17	22693	2	70	96
A-C	-18.5258	8.3858	-61.8133	-71.9533	30	3	0	2031	2	19	46
B-C	-274.724	15.8613	-573.469	-832.3318	153	60	21	22618	3	58	67

Interface residues

• A-B: ALA221A, ALA221B, ALA228A, ALA228B, ALA237A, ALA237B, ALA247A, ALA247B, ALA248A, ALA248B, ALA249A, ALA249B, ARG225A, ARG225B, ARG232A, ARG232B, ARG236A, ARG236B, ARG238A, ARG238B, ARG255A, ARG255B, ARG274A, ARG274B, ASN226A, ASN226B, ASN243A, ASN243B, ASN262A, ASN262B, ASN279A, ASN279B, ASN289A, ASN289B, ASP220B, ASP230A, ASP230B, ASP258A, ASP258B, ASP288A, ASP288B, GLN240A, GLN240B, GLN259A, GLN259B, GLU234A, GLU234B, GLU235A, GLU235B, GLU265A, GLU265B, GLU272A, GLU272B, GLU280A, GLU280B, GLY224A, GLY224B, GLY242A, GLY242B, GLY252A, GLY252B, GLY253A, GLY253B, GLY269A, GLY269B, GLY271A, GLY271B, GLY278A, GLY278B, GLY282A, GLY283A, GLY283B, GLY285A, GLY285B, HIS251A, HIS251B, HIS290A, HIS290B, HIS291A, HIS291B, HIS292A, HIS292B, HIS293A, HIS293B, HIS294A, HIS294B, HIS295A, HIS295B, ILE219A, ILE219B, ILE222A, ILE222B, ILE231A, ILE231B, ILE254A, ILE254B, ILE256A, ILE256B, ILE277A, ILE277B, LEU241A, LEU241B, LEU250A, LEU250B, LEU276A, LEU276B, LYS218A, LYS218B, LYS229A, LYS229B, LYS270A, LYS270B, LYS284A, LYS284B, MET217A, PHE286A, PHE286B, SER227A, SER227B, SER257A, SER257B, SER263A, SER263B, SER273A, SER273B, THR233A, THR233B, THR246A, THR246B, THR260A, THR260B, THR261A, THR261B, THR266A, THR266B, TRP287A, TRP287B, TYR281A, TYR281B, VAL223A, VAL223B, VAL239A, VAL239B, VAL244A, VAL244B, VAL245A, VAL245B, VAL264A, VAL264B, VAL267A, VAL267B, VAL268A, VAL268B, VAL275A, VAL275B
• A-C: ALA237C, ARG236C, ARG238C, ARG274C, ASN243C, ASN262A, ASN289C, ASP288C, GLU235C, GLU272C, GLY242C, GLY285C, HIS290A, HIS290C, HIS291C, HIS292A, HIS292C, HIS293A, HIS294A, HIS295A, HIS295C, LEU241C, LYS218C, LYS284C, MET217A, PHE286C, SER273C, THR260A, TRP287C, VAL245C
• B-C: ALA221B, ALA221C, ALA228B, ALA228C, ALA237B, ALA237C, ALA247B, ALA247C, ALA248B, ALA248C, ALA249B, ALA249C, ARG225B, ARG225C, ARG232B, ARG232C, ARG236B, ARG236C, ARG238B, ARG238C, ARG255B, ARG255C, ARG274B, ARG274C, ASN226B, ASN226C, ASN243B, ASN243C, ASN262B, ASN262C, ASN279B, ASN279C, ASN289B, ASN289C, ASP220B, ASP220C, ASP230B, ASP230C, ASP258B, ASP258C, ASP288B, ASP288C, GLN240B, GLN240C, GLN259B, GLN259C, GLU234B, GLU234C, GLU235B, GLU235C, GLU265B, GLU265C, GLU272B, GLU272C, GLU280B, GLU280C, GLY224B, GLY224C, GLY242B, GLY242C, GLY252B, GLY252C, GLY253B, GLY253C, GLY269B, GLY269C, GLY271B, GLY271C, GLY278B, GLY278C, GLY282B, GLY283B, GLY285B, GLY285C, HIS251B, HIS251C, HIS290B, HIS290C, HIS291B, HIS291C, HIS292B, HIS292C, HIS293C, HIS294C, HIS295C, ILE219B, ILE219C, ILE222B, ILE222C, ILE231B, ILE231C, ILE254B, ILE254C, ILE256B, ILE256C, ILE277B, ILE277C, LEU241B, LEU241C, LEU250B, LEU250C, LEU276B, LEU276C, LYS218B, LYS218C, LYS229B, LYS229C, LYS270B, LYS270C, LYS284B, LYS284C, MET217B, MET217C, PHE286B, PHE286C, SER227B, SER227C, SER257B, SER257C, SER263B, SER263C, SER273B, SER273C, THR233B, THR233C, THR246B, THR246C, THR260B, THR260C, THR261B, THR261C, THR266B, THR266C, TRP287B, TRP287C, TYR281B, TYR281C, VAL223B, VAL223C, VAL239B, VAL239C, VAL244B, VAL244C, VAL245B, VAL245C, VAL264B, VAL264C, VAL267B, VAL267C, VAL268B, VAL268C, VAL275B, VAL275C