2HOI

crystal structure of the tetrameric pre-cleavage synaptic complex in the cre-loxp site-specific recombination

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 158
  • Norm. En. per Res.: -4.6311
• 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	-88.7453	-96.7201	-527.228	-712.6934	174	15	10	21071	13	55	56
A-H	-108.0303	-146.3755	-436.437	-690.8428	153	24	8	17564	19	61	61
B-G	-104.7172	-183.3689	-443.62	-731.7061	158	18	8	17645	16	60	62
B-H	0.0	0.0	-2.6859	-2.6859	8	0	0	207	0	0	1
G-H	-98.3011	-79.655	-530.505	-708.4611	178	21	10	21389	12	54	54

Interface residues

• A-B: ALA112B, ALA127B, ALA131B, ALA167A, ALA201A, ALA207A, ALA212A, ALA291A, ALA295A, ALA296A, ALA300A, ALA300B, ALA302A, ALA302B, ALA312A, ALA334B, ALA36A, ALA84B, ARG100A, ARG101A, ARG106B, ARG118B, ARG119B, ARG121B, ARG130B, ARG139A, ARG146A, ARG179A, ARG187A, ARG192A, ARG199A, ARG292A, ARG297A, ARG297B, ARG301A, ARG301B, ARG326B, ARG32A, ARG337B, ARG34A, ARG72B, ASN111B, ASN124B, ASN169A, ASN26A, ASN317A, ASN319B, ASN323B, ASN327B, ASP109B, ASP126B, ASP143A, ASP189A, ASP298A, ASP29A, ASP329B, ASP33A, ASP341B, ASP73B, GLN133B, GLN311A, GLN35A, GLN79B, GLN89B, GLU123B, GLU129B, GLU138A, GLU210A, GLU22A, GLU308A, GLU331B, GLU340B, GLU39A, GLU69B, GLY103A, GLY128B, GLY165A, GLY190A, GLY191A, GLY198A, GLY208A, GLY216A, GLY294A, GLY303A, GLY303B, GLY313A, GLY314A, GLY333B, HIS196A, HIS40A, ILE120B, ILE166A, ILE195A, ILE197A, ILE306A, ILE306B, ILE309A, ILE309B, ILE320B, ILE325B, LEU115B, LEU171A, LEU172A, LEU194A, LEU203A, LEU213A, LEU215A, LEU220A, LEU27A, LEU328B, LEU338B, LEU339B, LEU76B, LEU98A, LYS122B, LYS132B, LYS211A, LYS25A, LYS86B, MET117B, MET193A, MET28A, MET299A, MET299B, MET30A, MET310A, MET322B, MET335B, MET97A, PHE137A, PHE142A, PHE31A, PHE37A, PRO307A, PRO307B, PRO68B, SER102A, SER108B, SER110B, SER114B, SER205A, SER214A, SER305A, SER305B, SER330B, SER38A, THR170A, THR188A, THR200A, THR202A, THR206A, THR218A, THR316A, THR332B, THR41A, THR87B, TRP315A, TRP42A, TYR168A, TYR324B, VAL113B, VAL116B, VAL125B, VAL204A, VAL209A, VAL217A, VAL23A, VAL304A, VAL304B, VAL318A, VAL318B, VAL321B, VAL336B, VAL85B
• A-H: ALA112A, ALA127A, ALA131A, ALA167H, ALA207H, ALA212H, ALA291H, ALA295H, ALA296H, ALA300H, ALA302H, ALA312H, ALA334A, ALA36H, ALA84A, ARG100H, ARG101H, ARG118A, ARG119A, ARG121A, ARG130A, ARG139H, ARG146H, ARG179H, ARG181H, ARG187H, ARG192H, ARG199H, ARG292H, ARG297A, ARG297H, ARG301A, ARG301H, ARG326A, ARG32H, ARG337A, ARG34H, ARG72A, ASN111A, ASN124A, ASN169H, ASN235H, ASN26H, ASN319A, ASN323A, ASN327A, ASP126A, ASP143H, ASP184H, ASP189H, ASP298H, ASP29H, ASP329A, ASP33H, ASP341A, ASP73A, GLN133A, GLN311H, GLN35H, GLN79A, GLN89A, GLU123A, GLU129A, GLU138A, GLU138H, GLU210H, GLU308H, GLU331A, GLU340A, GLU39H, GLU69A, GLY103H, GLY128A, GLY165H, GLY190H, GLY191H, GLY198H, GLY208H, GLY216H, GLY294H, GLY303H, GLY313H, GLY333A, HIS196H, HIS40H, ILE120A, ILE166H, ILE185H, ILE195H, ILE197H, ILE309H, ILE320A, ILE325A, LEU115A, LEU171H, LEU194H, LEU203H, LEU213H, LEU215H, LEU220H, LEU27H, LEU328A, LEU338A, LEU339A, LEU76A, LYS122A, LYS132A, LYS183H, LYS211H, LYS25H, LYS86A, MET117A, MET193H, MET28H, MET299H, MET30H, MET322A, MET335A, PHE137H, PHE142H, PHE31H, PHE37H, PRO68A, SER102H, SER110A, SER114A, SER186H, SER205H, SER214H, SER305H, SER330A, SER38H, THR170H, THR188H, THR200H, THR202H, THR206H, THR218H, THR316H, THR332A, THR41H, TRP42H, TYR168H, TYR237H, VAL113A, VAL116A, VAL125A, VAL204H, VAL209H, VAL217H, VAL304H, VAL336A, VAL85A
• B-G: ALA112G, ALA127G, ALA131G, ALA167B, ALA207B, ALA212B, ALA291B, ALA295B, ALA296B, ALA300B, ALA302B, ALA312B, ALA334G, ALA36B, ALA84G, ARG100B, ARG101B, ARG118G, ARG119G, ARG121G, ARG130G, ARG139B, ARG146B, ARG179B, ARG181B, ARG187B, ARG192B, ARG199B, ARG292B, ARG297B, ARG297G, ARG301B, ARG301G, ARG326G, ARG32B, ARG337G, ARG34B, ARG61G, ARG72G, ASN111G, ASN124G, ASN169B, ASN235B, ASN26B, ASN319G, ASN323G, ASN327G, ASP126G, ASP143B, ASP184B, ASP189B, ASP298B, ASP29B, ASP329G, ASP33B, ASP341G, ASP73G, GLN133G, GLN255B, GLN311B, GLN35B, GLN79G, GLN89G, GLU123G, GLU129G, GLU138B, GLU138G, GLU210B, GLU22B, GLU308B, GLU331G, GLU340G, GLU39B, GLU69G, GLY103B, GLY128G, GLY165B, GLY190B, GLY191B, GLY198B, GLY208B, GLY216B, GLY294B, GLY303B, GLY313B, GLY333G, HIS196B, HIS40B, ILE120G, ILE166B, ILE185B, ILE195B, ILE197B, ILE306G, ILE309B, ILE320G, ILE325G, LEU115G, LEU164B, LEU171B, LEU194B, LEU203B, LEU213B, LEU215B, LEU220B, LEU27B, LEU328G, LEU338G, LEU339G, LEU76G, LYS122G, LYS132G, LYS183B, LYS211B, LYS25B, LYS86G, MET117G, MET193B, MET28B, MET299B, MET30B, MET322G, MET335G, PHE142B, PHE31B, PHE37B, PRO307B, PRO68G, SER102B, SER110G, SER114G, SER186B, SER205B, SER214B, SER305B, SER330G, SER38B, THR170B, THR188B, THR200B, THR206B, THR218B, THR316B, THR332G, THR41B, THR87G, TRP42B, TYR168B, TYR237B, VAL113G, VAL116G, VAL125G, VAL204B, VAL209B, VAL217B, VAL304B, VAL336G, VAL85G
• B-H: GLU308B, GLU308H, ILE306B, ILE306H, PRO307B, PRO307H, SER305B, SER305H
• G-H: ALA112H, ALA127H, ALA131H, ALA167G, ALA201G, ALA207G, ALA212G, ALA291G, ALA295G, ALA296G, ALA300G, ALA300H, ALA302G, ALA302H, ALA312G, ALA334H, ALA36G, ALA84H, ARG100G, ARG101G, ARG118H, ARG119H, ARG121H, ARG130H, ARG139G, ARG146G, ARG179G, ARG187G, ARG192G, ARG199G, ARG292G, ARG297G, ARG297H, ARG301G, ARG301H, ARG326H, ARG32G, ARG337H, ARG34G, ARG72H, ASN111H, ASN124H, ASN169G, ASN26G, ASN317G, ASN317H, ASN319H, ASN323H, ASN327H, ASP109H, ASP126H, ASP143G, ASP189G, ASP298G, ASP29G, ASP329H, ASP33G, ASP341H, ASP73H, GLN133H, GLN311G, GLN35G, GLN79H, GLN89H, GLU123H, GLU129H, GLU138G, GLU210G, GLU22G, GLU308G, GLU331H, GLU340H, GLU39G, GLU69H, GLY103G, GLY128H, GLY165G, GLY190G, GLY191G, GLY198G, GLY208G, GLY216G, GLY294G, GLY303G, GLY303H, GLY313G, GLY314G, GLY333H, HIS196G, HIS40G, HIS99G, ILE120H, ILE166G, ILE195G, ILE197G, ILE306G, ILE306H, ILE309G, ILE309H, ILE320H, ILE325H, LEU104G, LEU115H, LEU164G, LEU171G, LEU194G, LEU203G, LEU213G, LEU215G, LEU220G, LEU27G, LEU328H, LEU338H, LEU339H, LEU76H, LEU98G, LYS122H, LYS132H, LYS211G, LYS219G, LYS25G, LYS86H, MET117H, MET193G, MET28G, MET299G, MET299H, MET30G, MET310G, MET322H, MET335H, MET97G, PHE137G, PHE142G, PHE31G, PHE37G, PRO307G, PRO307H, PRO68H, SER102G, SER108H, SER110H, SER114H, SER205G, SER214G, SER305G, SER305H, SER330H, SER38G, THR170G, THR188G, THR200G, THR202G, THR206G, THR218G, THR316G, THR332H, THR41G, THR87H, TRP315G, TRP42G, TYR168G, TYR324H, VAL113H, VAL116H, VAL125H, VAL204G, VAL209G, VAL217G, VAL23G, VAL304G, VAL304H, VAL318G, VAL318H, VAL321G, VAL321H, VAL336H, VAL85H