1NEX

crystal structure of scskp1-sccdc4-cpd peptide complex

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -5.0431
• Hub Node: B(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	-55.2816	-60.7537	-368.106	-484.1414	96	23	13	15637	3	27	23
B-C	-4.1809	-12.0984	-85.2124	-101.4917	57	5	0	4049	2	21	17
B-E	-10.7797	0.0	-52.4403	-63.22	31	5	0	2309	0	0	0
C-D	-57.1758	-55.1736	-372.946	-485.2954	99	26	13	15562	3	26	23
D-F	-11.0738	0.0	-69.0113	-80.0851	45	11	3	3539	0	0	0

Interface residues

• A-B: ALA137A, ALA138A, ALA149A, ALA155A, ARG159A, ARG161A, ARG167A, ARG168A, ARG185A, ARG272B, ARG310B, ARG352B, ASN139A, ASN171A, ASN174A, ASN288B, ASN297B, ASN304B, ASN306B, ASP127A, ASP148A, ASP175A, ASP273B, ASP294B, CYS151A, GLN128A, GLN291B, GLN303B, GLU129A, GLU133A, GLU156A, GLU164A, GLU165A, GLU180A, GLU181A, GLU281B, GLU293B, GLY150A, GLY160A, GLY300B, ILE134A, ILE135A, ILE158A, ILE166A, ILE172A, ILE184A, ILE275B, ILE282B, ILE286B, ILE295B, ILE296B, ILE308B, ILE309B, LEU131A, LEU136A, LEU146A, LEU147A, LEU270B, LEU274B, LEU278B, LEU284B, LEU290B, LEU299B, LEU353B, LEU356B, LYS144A, LYS152A, LYS271B, LYS285B, LYS307B, PHE170A, PHE176A, PHE287B, PHE292B, PHE360B, PRO145A, PRO163A, PRO279B, SER162A, SER277B, SER283B, SER298B, SER302B, THR169A, THR177A, THR276B, TRP305B, TRP316B, TYR132A, TYR140A, TYR289B, VAL116A, VAL153A, VAL154A, VAL173A, VAL301B
• B-C: ALA94C, ARG15C, ARG310B, ARG350B, ARG98C, ASN101C, ASN332B, ASN335B, ASN476B, ASN5C, ASP19C, ASP99C, GLN340B, GLN347B, GLN348B, GLN88C, GLU12C, GLU14C, GLU92C, GLU95C, HIS432B, HIS96C, HIS97C, ILE22C, ILE75C, ILE91C, LEU336B, LEU345B, LEU351B, LEU87C, LEU8C, LYS20C, LYS21C, LYS337B, LYS341B, LYS344B, LYS496B, LYS89C, PHE16C, PHE331B, PRO343B, SER100C, SER10C, SER118C, SER333B, SER339B, SER346B, SER4C, SER84C, SER85C, THR17C, THR313B, TRP119C, TYR342B, VAL18C, VAL6C, VAL7C
• B-E: ALA399B, ALA427B, ARG467B, ARG485B, ARG534B, ASP400B, ASP442B, CYS387B, GLN715B, GLY423B, GLY424B, ILE385B, LEU3E, LEU634B, LEU637B, PRO5E, PRO6E, SER440B, SER718B, THR386B, THR441B, THR465B, THR677B, THR678B, TRP426B, TRP717B, TYR548B, TYR574B, VAL384B, VAL425B, VAL466B
• C-D: ALA137C, ALA138C, ALA149C, ALA155C, ALA183C, ARG159C, ARG161C, ARG167C, ARG168C, ARG185C, ARG186C, ARG272D, ARG310D, ARG352D, ASN139C, ASN171C, ASN174C, ASN288D, ASN297D, ASN304D, ASN306D, ASP127C, ASP148C, ASP175C, ASP273D, ASP294D, ASP349D, CYS151C, GLN128C, GLN291D, GLN303D, GLU129C, GLU133C, GLU156C, GLU164C, GLU165C, GLU180C, GLU181C, GLU281D, GLU293D, GLY150C, GLY160C, GLY300D, ILE134C, ILE135C, ILE143C, ILE158C, ILE166C, ILE172C, ILE184C, ILE275D, ILE282D, ILE286D, ILE295D, ILE296D, ILE308D, ILE309D, LEU131C, LEU136C, LEU146C, LEU147C, LEU270D, LEU274D, LEU278D, LEU284D, LEU290D, LEU299D, LEU345D, LEU353D, LEU356D, LYS144C, LYS152C, LYS271D, LYS285D, LYS307D, PHE170C, PHE176C, PHE287D, PRO145C, PRO163C, PRO279D, SER162C, SER277D, SER283D, SER298D, SER302D, THR169C, THR177C, THR276D, TRP305D, TYR132C, TYR140C, TYR289D, VAL116C, VAL126C, VAL153C, VAL154C, VAL173C, VAL301D
• D-F: ALA427D, ALA650D, ALA675D, ARG443D, ARG467D, ARG485D, ARG534D, ARG572D, ASN487D, ASP400D, ASP442D, ASP486D, CYS387D, GLN715D, GLN7F, GLY423D, GLY424D, GLY636D, ILE385D, ILE676D, ILE716D, LEU2F, LEU3F, LEU634D, LEU637D, PRO5F, PRO6F, SER440D, SER464D, SER484D, SER532D, SER718D, SER8F, THR386D, THR441D, THR465D, THR677D, THR678D, TRP426D, TRP717D, TYR548D, TYR574D, VAL384D, VAL425D, VAL466D