3F5N

structure of native human neuroserpin

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 103
  • Norm. En. per Res.: -3.7965
• Hub Node: A(3)

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	-20.2982	-13.2917	-161.338	-194.9279	79	15	1	6502	3	17	21
A-C	0.0	-7.1547	-71.0164	-78.1711	65	3	4	4559	1	17	11
A-D	-90.8816	4.3257	-304.482	-391.0378	103	34	8	11672	5	18	14
B-C	-15.539	0.0	-107.393	-122.932	47	19	3	4788	0	4	4
B-D	-13.2816	14.2365	-100.891	-99.9361	48	10	4	4281	0	7	10
B-E	0.0	0.0	-14.6202	-14.6202	14	0	3	934	0	1	0
C-D	-13.8667	-2.5427	-67.6329	-84.0423	55	14	3	3659	1	12	9
C-E	-40.7553	32.4463	-191.108	-199.417	74	19	4	7808	4	15	12

Interface residues

• A-B: ALA235B, ALA364B, ARG195A, ARG200A, ARG200B, ARG259A, ARG259B, ARG294A, ARG362B, ASN198A, ASP208A, ASP373A, ASP373B, GLN213A, GLN213B, GLN240B, GLN260A, GLN260B, GLN369A, GLN369B, GLU197A, GLU209A, GLU211A, GLU211B, GLU227B, GLU234B, GLU261A, GLU261B, GLU289B, GLU346A, GLU398A, GLY236B, GLY237A, HIS374A, HIS374B, ILE214A, ILE214B, ILE238A, ILE238B, ILE371A, ILE371B, LEU257B, LEU366B, LYS206A, MET216A, MET216B, MET363B, MET400A, PHE202A, PHE202B, PHE204A, PHE204B, PRO196A, PRO215A, PRO293B, PRO368B, SER203A, SER203B, SER210A, SER258A, SER258B, SER361B, THR199A, THR201A, THR201B, THR205A, THR205B, THR399A, TYR218B, TYR225B, TYR239B, TYR291A, TYR291B, TYR367B, VAL212A, VAL262A, VAL365B, VAL370B, VAL372B
• A-C: ALA265C, ALA273C, ALA280C, ALA359A, ALA364A, ALA364C, ARG259A, ARG362A, ASN281C, ASP230A, GLN240A, GLN240C, GLN260A, GLN274C, GLN286A, GLN286C, GLN369A, GLN369C, GLU227A, GLU227C, GLU261A, GLU268C, GLU277C, GLU278C, GLY226A, GLY226C, GLY237A, ILE238A, ILE360A, ILE371A, LEU270C, LEU275C, LEU366A, LEU366C, LYS272C, LYS284A, LYS284C, LYS285C, LYS287C, MET363A, PHE228A, PHE228C, PRO263A, PRO269C, PRO368A, PRO368C, SER229A, SER229C, SER282C, SER361A, THR266A, THR266C, TRP279C, TYR225A, TYR225C, TYR239A, TYR367A, TYR367C, VAL262A, VAL271C, VAL276C, VAL283C, VAL288C, VAL365A, VAL365C
• A-D: ALA351A, ALA351D, ALA352A, ALA352D, ALA353A, ALA353D, ALA359A, ALA359D, ALA364A, ALA364D, ARG195A, ARG195D, ARG200A, ARG200D, ARG259A, ARG259D, ARG362A, ARG362D, ASN198A, ASN198D, ASP373A, ASP373D, GLN193D, GLN219A, GLN219D, GLN220A, GLN220D, GLN240A, GLN240D, GLN260A, GLN260D, GLN369A, GLN369D, GLU197A, GLU197D, GLU222A, GLU227A, GLU227D, GLU261A, GLU261D, GLU289A, GLU289D, GLU350A, GLU350D, HIS374A, HIS374D, ILE238A, ILE238D, ILE358D, ILE360A, ILE360D, ILE371A, ILE371D, LEU257A, LEU257D, LEU366A, LEU366D, LYS285A, LYS287A, LYS287D, MET216A, MET216D, MET357D, MET363A, MET363D, PHE202A, PHE202D, PHE204D, PHE228D, PRO196D, PRO368A, PRO368D, SER203A, SER203D, SER258A, SER258D, SER361A, SER361D, THR199A, THR199D, THR201A, THR205A, THR205D, TYR218A, TYR218D, TYR225A, TYR225D, TYR239A, TYR239D, TYR291A, TYR291D, TYR367A, TYR367D, VAL262D, VAL288A, VAL288D, VAL354D, VAL365A, VAL365D, VAL370A, VAL370D, VAL372A, VAL372D
• B-C: ALA359B, ALA364B, ALA364C, ARG259C, ARG362B, ASN233C, ASP373C, GLN220B, GLN240C, GLN260C, GLN286B, GLN369C, GLU222B, GLU227C, GLU289C, GLY237C, GLY356B, HIS374C, ILE238C, ILE358B, ILE360B, ILE371C, LEU257C, LEU366B, LEU366C, LYS284B, LYS285B, LYS287B, MET357B, MET363B, PHE228C, PRO368C, SER229C, SER232C, SER258C, SER355B, SER361B, TYR225C, TYR239C, TYR291C, TYR367B, TYR367C, VAL288C, VAL354B, VAL365B, VAL365C, VAL370C
• B-D: ALA235B, ALA351D, ALA352D, ALA353D, ALA359D, ALA364B, ARG195D, ARG259B, ARG362B, ARG362D, ASN233B, GLN103D, GLN193D, GLN240B, GLN286B, GLN369B, GLU227B, GLU234B, GLU247D, GLU289B, GLU350D, GLY226B, GLY231B, GLY236B, ILE238B, ILE358B, ILE358D, ILE360D, LEU366B, LYS191D, LYS284B, LYS284D, LYS287B, MET357D, MET363B, MET363D, PRO368B, SER102D, SER229B, SER232B, SER349D, SER361D, TYR225B, TYR239B, TYR367B, VAL288B, VAL354D, VAL365B
• B-E: ALA352B, ALA353B, ALA359B, ALA364E, ARG362B, ARG362E, GLY356B, ILE360B, LEU366E, MET363E, SER355B, SER361B, VAL354B, VAL365E
• C-D: ALA265C, ALA273C, ALA309C, ALA359D, ALA364D, ARG259C, ARG259D, ARG362D, ARG36C, ASN233C, ASN32C, ASN35C, ASP230C, ASP28C, GLN240D, GLN286D, GLN369D, GLU227C, GLU227D, GLU261D, GLU268C, GLY226C, GLY231C, GLY231D, GLY237C, HIS74C, ILE238C, ILE238D, ILE358D, ILE360D, LEU264C, LEU267C, LEU270C, LEU366D, LYS272C, LYS284D, LYS285D, LYS287D, MET363D, PHE228C, PRO263C, PRO269C, PRO368D, SER229C, SER232C, SER282C, SER361D, THR266C, TYR225C, TYR225D, TYR239C, TYR367D, VAL262D, VAL31C, VAL365D
• C-E: ALA359C, ALA364C, ALA364E, ARG195C, ARG195E, ARG200C, ARG200E, ARG259E, ARG294C, ARG362C, ARG362E, ASN198C, ASN198E, ASP373C, ASP373E, GLN213C, GLN213E, GLN219E, GLN220E, GLN260E, GLN369C, GLN369E, GLU197C, GLU197E, GLU211C, GLU211E, GLU261E, GLU289C, GLU289E, HIS374E, ILE214C, ILE214E, ILE358C, ILE360C, ILE371C, ILE371E, LEU257E, LEU292E, LEU366E, MET216C, MET216E, MET217E, MET357C, MET363C, MET363E, PHE202C, PHE202E, PHE204C, PHE204E, PRO196C, PRO215C, PRO368E, SER203C, SER203E, SER258E, SER361C, THR199C, THR199E, THR201C, THR201E, THR205C, THR205E, TYR218C, TYR218E, TYR291C, TYR291E, TYR367C, TYR367E, VAL212E, VAL290E, VAL365C, VAL365E, VAL370E, VAL372E