3H3B

crystal structure of the single-chain fv (scfv) fragment of an anti- erbb2 antibody cha21 in complex with residues 1-192 of erbb2 extracellular domain

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 92
  • Norm. En. per Res.: -3.9184
• 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	-33.3513	-19.5411	-46.2368	-99.1292	66	3	0	2937	4	15	17
A-C	-56.2948	0.0	-304.194	-360.4888	92	15	2	9803	0	7	7
A-D	-7.1288	-5.8924	-75.5756	-88.5968	56	0	3	3994	0	5	3
B-C	-8.1435	-5.491	-71.7119	-85.3464	60	1	3	3947	0	7	4
B-D	-42.1845	0.0	-300.773	-342.9575	91	17	2	9896	0	6	7
C-D	0.0	0.0	-11.2616	-11.2616	22	2	0	617	0	0	0

Interface residues

• A-B: ALA15A, ALA15B, ALA65A, ALA65B, ARG12A, ARG12B, ARG135A, ARG135B, ASN165A, ASN165B, ASN46B, ASN67A, ASN67B, ASN97A, ASN97B, ASP96A, ASP96B, ASP99A, ASP99B, GLN134A, GLN134B, GLN68A, GLN68B, GLU18A, GLU18B, GLU87A, GLU87B, GLY113A, GLY113B, GLY98A, GLY98B, HIS66A, HIS66B, LEU101A, LEU11A, LEU11B, LEU132A, LEU132B, LEU13A, LEU13B, LEU43A, LEU43B, LEU95A, LEU95B, LYS10B, PHE86B, PRO100A, PRO100B, PRO112A, PRO112B, PRO137A, PRO137B, PRO14A, PRO14B, PRO17A, PRO17B, PRO44A, PRO44B, SER167A, SER167B, SER16A, SER16B, THR45A, THR45B, TYR42A, TYR42B
• A-C: ALA169A, ALA190C, ALA240C, ARG116A, ARG135A, ARG166A, ARG168A, ASN102A, ASN103A, ASN136A, ASN165A, ASN169C, ASN235C, ASN33C, ASN34C, ASN97A, ASN99C, ASP143A, ASP163A, ASP189A, ASP96A, ASP99A, CYS140A, CYS170A, CYS173A, CYS177A, CYS182A, GLN-2C, GLN134A, GLN138A, GLN142A, GLN35C, GLU117A, GLU185A, GLU188A, GLU237C, GLU238C, GLY165C, GLY184A, GLY234C, GLY98A, HIS171A, HIS184C, ILE145A, ILE185C, LEU101A, LEU139A, LYS36C, MET176A, PHE167C, PRO-1C, PRO100A, PRO106A, PRO112A, PRO137A, PRO172A, PRO175A, SER162C, SER167A, SER174A, SER180A, SER186A, SER186C, SER187A, SER187C, SER188C, SER192C, SER233C, SER32C, SER98C, THR104A, THR105A, THR144A, THR164A, THR164C, THR191C, THR193C, THR208C, TRP102C, TRP181C, TRP56C, TYR100C, TYR141A, TYR166C, TYR189C, TYR194C, TYR236C, TYR239C, TYR31C, TYR38C, TYR97C, VAL107A
• A-D: ALA150D, ALA158A, ALA190D, ALA202D, ALA203D, ALA213D, ARG135A, ASN155A, ASN165A, ASN200D, ASN218D, ASN89A, ASP163A, ASP207D, ASP88A, ASP96A, GLN134A, GLN156A, GLN216D, GLU87A, GLY130A, GLY149D, ILE133A, ILE162A, ILE185D, LEU132A, LEU157A, LEU159A, LEU161A, LEU217D, LEU220D, LEU95A, LYS153D, LYS199D, LYS201D, MET215D, PHE204D, PHE214D, SER151D, SER186D, SER187D, SER188D, SER192D, SER209D, SER219D, THR160A, THR164A, THR164D, THR191D, THR205D, THR208D, TYR189D, TYR194D, TYR90A, VAL131A, VAL206D
• B-C: ALA150C, ALA158B, ALA190C, ALA202C, ALA203C, ARG135B, ASN155B, ASN165B, ASN200C, ASN218C, ASN89B, ASP163B, ASP207C, ASP88B, ASP96B, GLN134B, GLN156B, GLN216C, GLU87B, GLY130B, GLY149C, ILE133B, ILE162B, ILE185C, LEU132B, LEU157B, LEU159B, LEU161B, LEU217C, LEU220C, LEU85B, LEU95B, LYS10B, LYS128B, LYS153C, LYS199C, LYS201C, MET215C, PHE198C, PHE204C, PHE214C, SER151C, SER186C, SER187C, SER188C, SER192C, SER209C, SER219C, THR160B, THR164B, THR164C, THR191C, THR193C, THR205C, THR208C, TYR189C, TYR194C, TYR90B, VAL131B, VAL206C
• B-D: ALA169B, ALA190D, ALA240D, ARG116B, ARG135B, ARG166B, ARG168B, ASN102B, ASN103B, ASN136B, ASN165B, ASN169D, ASN235D, ASN33D, ASN34D, ASN97B, ASN99D, ASP143B, ASP163B, ASP189B, ASP96B, ASP99B, CYS140B, CYS170B, CYS173B, CYS182B, GLN-2D, GLN134B, GLN138B, GLN142B, GLN35D, GLN71B, GLU117B, GLU185B, GLU237D, GLU238D, GLY165D, GLY184B, GLY234D, GLY98B, HIS171B, HIS184D, ILE145B, ILE185D, LEU101B, LEU139B, LYS36D, MET176B, PHE163D, PHE167D, PRO-1D, PRO100B, PRO106B, PRO112B, PRO137B, PRO172B, PRO175B, SER162D, SER167B, SER174B, SER186B, SER186D, SER187B, SER187D, SER188D, SER192D, SER233D, SER32D, SER98D, THR104B, THR105B, THR144B, THR164B, THR164D, THR191D, THR193D, THR208D, TRP102D, TRP181D, TRP56D, TYR100D, TYR141B, TYR166D, TYR189D, TYR194D, TYR236D, TYR239D, TYR31D, TYR38D, TYR97D, VAL107B
• C-D: ASP207C, ASP207D, GLY165C, GLY165D, PHE163C, PHE163D, SER162C, SER162D, SER188C, SER209C, SER209D, SER210C, SER210D, SER211D, THR164C, THR164D, THR208C, THR208D, TYR161C, TYR161D, TYR166C, TYR166D