3IET

crystal structure of 237mab with antigen

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-X
  • Int. Res.: 22
  • Norm. En. per Res.: -3.5861
• Hub Node: A(4)

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	-2.2822	-10.436	-409.614	-422.3322	173	6	12	16390	1	14	12
A-D	-24.3615	-25.8284	-125.072	-175.2619	76	8	0	5422	2	20	27
A-X	-28.7479	-1.77	-55.5925	-86.1104	25	1	0	1928	2	6	2
A-Q	0.0	0.0	-2.2097	-2.2097	9	0	0	235	0	0	2
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	1
B-X	-22.1743	0.9485	-57.6685	-78.8943	22	2	1	2062	0	10	9
C-D	-14.0685	-10.8607	-420.704	-445.6332	170	8	12	16668	1	16	16
C-Q	-19.745	0.0	-36.9058	-56.6508	21	1	0	1393	0	0	2
D-Q	-8.8269	-4.5588	-43.583	-56.9687	17	3	1	1693	0	2	2

Interface residues

• A-B: ALA100B, ALA125B, ALA130A, ALA168B, ALA49B, ALA60B, ARG38B, ARG52B, ARG54A, ARG98B, ASN137A, ASN138A, ASN157A, ASN161A, ASN210A, ASN53A, ASN99B, ASP165A, ASP167A, ASP170A, ASP35B, CYS134A, CYS140B, CYS88A, CYS92B, GLN105B, GLN124A, GLN171B, GLN38A, GLN39B, GLN42A, GLN6B, GLN90A, GLU123A, GLU211B, GLU46B, GLU50B, GLU61B, GLY100A, GLY101A, GLY104B, GLY106B, GLY128A, GLY129A, GLY139B, GLY144B, GLY158A, GLY162B, GLY41A, GLY44B, GLY94B, GLY95B, GLY99A, HIS164B, HIS27A, HIS34A, HIS93A, ILE117A, ILE210B, ILE48A, ILE89B, LEU124B, LEU125A, LEU136A, LEU138B, LEU141B, LEU160A, LEU170B, LEU174B, LEU177B, LEU179A, LEU181A, LEU45B, LEU46A, LEU47A, LYS142A, LYS143B, LYS169A, LYS207A, LYS208B, LYS209B, LYS43B, LYS45A, LYS50A, LYS64B, LYS96B, MET175A, PHE118A, PHE135A, PHE139A, PHE166B, PHE209A, PHE55A, PHE87A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO44A, PRO95A, SER116A, SER120B, SER121A, SER122A, SER127A, SER131A, SER135B, SER160B, SER161B, SER162A, SER172B, SER174A, SER176A, SER177A, SER178B, SER179B, SER180B, SER208A, SER43A, SER56A, SER62B, SER89A, SER91A, SER93B, THR114A, THR126A, THR137B, THR164A, THR165B, THR172A, THR176B, THR178A, THR180A, THR182B, THR92A, THR97A, TRP103B, TRP154B, TRP163A, TRP188B, TRP33B, TRP36B, TRP47B, TYR102B, TYR122B, TYR173A, TYR175B, TYR32A, TYR36A, TYR49A, TYR58B, TYR59B, TYR86A, TYR91B, VAL115A, VAL121B, VAL127B, VAL132A, VAL133A, VAL136B, VAL142B, VAL159A, VAL163B, VAL169B, VAL181B, VAL2B, VAL37B, VAL48B, VAL85A, VAL94A, VAL97B
• A-D: ALA196A, ALA19A, ALA53D, ARG24A, ARG66D, ARG71D, ARG77D, ASN145A, ASN161A, ASN52D, ASN53D, ASN54D, ASN82D, ASP143A, ASP17A, ASP72D, ASP73D, GLN18A, GLN6A, GLN81D, GLU105A, GLU56D, GLY100A, GLY101A, GLY65D, GLY8D, HIS198A, HIS55D, ILE144A, ILE20D, ILE21A, ILE51D, ILE69D, LEU11A, LEU80D, LEU9A, LYS103A, LYS107A, LYS142A, LYS199A, LYS19D, LYS52D, LYS75D, MET18D, MET78D, PHE139A, PHE21D, PHE67D, PRO12A, PRO141A, PRO8A, SER10A, SER14A, SER17D, SER201A, SER20A, SER22A, SER74D, SER76D, SER79D, SER7D, THR102A, THR197A, THR200A, THR202A, THR57D, THR5A, THR68D, THR70D, THR72A, THR7A, TRP163A, TYR58D, TYR59D, VAL13A, VAL146A
• A-X: ASN28A, ASN30A, GLN27A, GLN90A, GLU7X, GLU8X, GLY1X, GLY29A, HIS27A, HIS93A, LEU27A, LEU9X, LYS3X, LYS50A, PRO4X, PRO5X, PRO95A, SER27A, SER91A, THR2X, THR92A, TYR32A, TYR49A, VAL27A, VAL94A
• A-Q: ASN145A, LEU217Q, LYS147A, LYS199A, LYS214Q, SER201A, SER203A, THR197A, THR202A
• B-D: LYS43B, LYS75D
• B-X: ALA52B, ARG52B, ARG98B, ASN52B, ASN53B, ASN54B, ASP31B, GLU50B, GLU56B, GLU7X, GLU8X, LEU6X, LEU9X, LYS3X, LYS52B, LYS96B, PRO4X, PRO5X, THR2X, TRP33B, TYR58B, VAL97B
• C-D: ALA100D, ALA125D, ALA130C, ALA168D, ALA49D, ALA60D, ARG213D, ARG38D, ARG52D, ARG54C, ARG98D, ASN137C, ASN138C, ASN161C, ASN210C, ASN53C, ASN99D, ASP165C, ASP167C, ASP170C, ASP35D, CYS134C, CYS140D, CYS88C, CYS92D, GLN105D, GLN124C, GLN171D, GLN38C, GLN39D, GLN42C, GLN6C, GLN6D, GLN90C, GLU123C, GLU46D, GLU50D, GLU61D, GLY100C, GLY101C, GLY104D, GLY106D, GLY129C, GLY139D, GLY158C, GLY162D, GLY41C, GLY44D, GLY94D, GLY95D, GLY99C, HIS164D, HIS27C, HIS34C, HIS93C, ILE117C, ILE210D, ILE48C, ILE89D, LEU124D, LEU125C, LEU136C, LEU138D, LEU141D, LEU160C, LEU170D, LEU174D, LEU177D, LEU179C, LEU181C, LEU45D, LEU46C, LEU47C, LEU4D, LYS143D, LYS169C, LYS207C, LYS208D, LYS43D, LYS45C, LYS50C, LYS64D, LYS96D, MET175C, PHE118C, PHE135C, PHE139C, PHE166D, PHE209C, PHE55C, PHE87C, PHE98C, PRO119C, PRO120C, PRO123D, PRO126D, PRO167D, PRO44C, PRO95C, SER116C, SER120D, SER121C, SER122C, SER127C, SER131C, SER135D, SER160D, SER161D, SER162C, SER174C, SER176C, SER177C, SER178D, SER179D, SER180D, SER208C, SER43C, SER56C, SER62D, SER89C, SER91C, SER93D, THR114C, THR126C, THR137D, THR164C, THR165D, THR172C, THR176D, THR178C, THR180C, THR182D, THR92C, THR97C, TRP103D, TRP154D, TRP163C, TRP188D, TRP33D, TRP36D, TRP47D, TYR102D, TYR122D, TYR173C, TYR175D, TYR186C, TYR32C, TYR36C, TYR49C, TYR58D, TYR59D, TYR86C, TYR91D, VAL115C, VAL121D, VAL127D, VAL132C, VAL133C, VAL136D, VAL142D, VAL159C, VAL163D, VAL169D, VAL181D, VAL2D, VAL37D, VAL48D, VAL85C, VAL94C, VAL97D
• C-Q: ASN28C, ASN30C, GLN27C, GLN90C, GLY212Q, HIS27C, HIS93C, ILE2C, LEU217Q, LEU27C, LYS214Q, PRO215Q, PRO216Q, PRO95C, SER27C, SER91C, THR213Q, THR92C, TYR32C, VAL27C, VAL94C
• D-Q: ALA53D, ARG52D, ARG98D, ASN52D, ASN53D, ASN54D, GLU50D, GLU56D, LEU217Q, LYS214Q, LYS52D, LYS96D, PRO215Q, PRO216Q, THR213Q, TRP33D, TYR58D