1Q3V

crystal structure of a wild-type cre recombinase-loxp synapse: phosphotyrosine covalent intermediate

• Total interactions analyzed: 45
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 155
  • Norm. En. per Res.: -4.3328
• 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	-47.5214	-47.8922	-424.771	-520.1847	175	30	12	20842	12	53	58
A-F	-88.884	-182.281	-400.42	-671.5849	155	26	9	16847	16	60	62
B-E	-74.9756	-128.7754	-379.731	-583.482	149	25	8	16449	16	60	62
B-F	0.0	0.0	-0.0633	-0.0633	2	0	0	25	0	0	1
E-F	-37.6421	-73.8332	-435.079	-546.5543	173	24	13	20467	13	56	58

Interface residues

• A-B: ALA112B, ALA127B, ALA131B, ALA167A, ALA207A, ALA212A, ALA291A, ALA295A, ALA296A, ALA300A, ALA300B, ALA302A, ALA302B, ALA312A, ALA334B, ALA36A, ALA84B, ARG100A, ARG101A, 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, ASN317B, ASN319A, ASN319B, ASN323B, ASN327B, ASP109B, ASP126B, ASP143A, ASP189A, ASP298A, ASP29A, ASP329B, ASP33A, ASP341B, ASP73B, GLN133B, GLN311A, GLN35A, GLN89B, GLU123B, GLU129B, GLU138A, GLU210A, GLU22A, GLU308A, GLU308B, GLU331B, GLU340B, GLU39A, GLU69B, GLY103A, GLY128B, GLY165A, GLY190A, GLY191A, GLY198A, GLY208A, GLY216A, GLY294A, GLY303A, GLY303B, GLY313A, GLY314A, GLY333B, HIS196A, HIS40A, HIS99A, ILE120B, ILE166A, ILE197A, ILE306A, ILE306B, ILE309A, ILE309B, ILE320B, ILE325B, LEU115B, LEU171A, LEU194A, LEU203A, LEU213A, LEU215A, LEU27A, LEU328B, LEU338B, LEU339B, LEU76B, LEU98A, LYS122B, LYS132B, LYS201A, LYS211A, LYS25A, LYS86B, MET117B, MET193A, MET28A, MET299A, MET299B, MET30A, MET310A, MET310B, MET322B, MET335B, MET97A, PHE142A, PHE31A, PHE37A, PRO307A, PRO307B, PRO68B, SER102A, SER108B, SER110B, SER114B, SER186A, 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, VAL321A, VAL321B, VAL336B, VAL85B
• A-F: ALA112A, ALA127A, ALA131A, ALA167F, ALA207F, ALA212F, ALA291F, ALA295F, ALA296F, ALA300F, ALA302F, ALA312F, ALA334A, ALA36F, ALA84A, ARG100F, ARG101F, ARG118A, ARG119A, ARG121A, ARG130A, ARG139F, ARG146F, ARG179F, ARG181F, ARG187F, ARG192F, ARG199F, ARG292F, ARG297A, ARG297F, ARG301A, ARG301F, ARG326A, ARG32F, ARG337A, ARG34F, ARG72A, ASN111A, ASN124A, ASN169F, ASN235F, ASN26F, ASN319A, ASN323A, ASN327A, ASP126A, ASP143F, ASP184F, ASP189F, ASP298F, ASP29F, ASP329A, ASP33F, ASP341A, ASP73A, GLN133A, GLN311F, GLN35F, GLN89A, GLU123A, GLU129A, GLU138A, GLU138F, GLU210F, GLU22F, GLU308F, GLU331A, GLU340A, GLU39F, GLU69A, GLY103F, GLY128A, GLY165F, GLY190F, GLY191F, GLY198F, GLY208F, GLY216F, GLY294F, GLY303F, GLY313F, GLY333A, HIS196F, HIS40F, ILE120A, ILE166F, ILE185F, ILE195F, ILE197F, ILE309F, LEU115A, LEU164F, LEU171F, LEU172F, LEU194F, LEU203F, LEU213F, LEU215F, LEU220F, LEU27F, LEU328A, LEU338A, LEU339A, LEU76A, LYS122A, LYS132A, LYS183F, LYS211F, LYS25F, LYS86A, MET117A, MET193F, MET28F, MET299F, MET30F, MET310F, MET322A, MET335A, MET97F, PHE137F, PHE142F, PHE31F, PHE37F, PRO307F, PRO68A, SER102F, SER110A, SER114A, SER186F, SER205F, SER214F, SER305F, SER330A, SER38F, THR170F, THR188F, THR200F, THR206F, THR218F, THR332A, THR41F, THR87A, TRP42F, TYR168F, TYR237F, VAL113A, VAL116A, VAL125A, VAL204F, VAL209F, VAL217F, VAL304F, VAL336A, VAL85A
• B-E: ALA112E, ALA127E, ALA131E, ALA167B, ALA207B, ALA212B, ALA291B, ALA295B, ALA296B, ALA300B, ALA302B, ALA312B, ALA334E, ALA36B, ALA84E, ARG100B, ARG101B, ARG118E, ARG119E, ARG121E, ARG130E, ARG139B, ARG146B, ARG179B, ARG181B, ARG187B, ARG192B, ARG199B, ARG292B, ARG297B, ARG297E, ARG301B, ARG301E, ARG326E, ARG32B, ARG337E, ARG34B, ARG72E, ASN111E, ASN124E, ASN169B, ASN235B, ASN26B, ASN319E, ASN323E, ASN327E, ASP126E, ASP143B, ASP184B, ASP189B, ASP298B, ASP29B, ASP329E, ASP33B, ASP341E, ASP73E, GLN255B, GLN311B, GLN35B, GLU123E, GLU129E, GLU138B, GLU138E, GLU210B, GLU308B, GLU331E, GLU340E, GLU39B, GLU69E, GLY103B, GLY128E, GLY165B, GLY190B, GLY191B, GLY198B, GLY208B, GLY216B, GLY294B, GLY303B, GLY313B, GLY333E, HIS196B, HIS40B, ILE120E, ILE166B, ILE185B, ILE195B, ILE197B, ILE309B, ILE325E, LEU115E, LEU171B, LEU172B, LEU194B, LEU203B, LEU213B, LEU215B, LEU27B, LEU328E, LEU338E, LEU339E, LEU76E, LYS122E, LYS132E, LYS183B, LYS211B, LYS25B, LYS86E, MET117E, MET193B, MET28B, MET299B, MET30B, MET322E, MET335E, MET97B, PHE142B, PHE31B, PHE37B, PRO307B, PRO68E, SER102B, SER110E, SER114E, SER186B, SER205B, SER214B, SER305B, SER330E, SER38B, THR170B, THR188B, THR200B, THR206B, THR218B, THR332E, THR41B, TRP315B, TYR168B, TYR237B, VAL113E, VAL116E, VAL125E, VAL204B, VAL209B, VAL217B, VAL304B, VAL336E, VAL85E
• B-F: PRO307B, PRO307F
• E-F: ALA112F, ALA127F, ALA131F, ALA167E, ALA207E, ALA212E, ALA291E, ALA295E, ALA296E, ALA296F, ALA300E, ALA300F, ALA302E, ALA302F, ALA312E, ALA334F, ALA36E, ALA84F, ARG100E, ARG101E, ARG118F, ARG119F, ARG121F, ARG130F, ARG139E, ARG146E, ARG192E, ARG199E, ARG292E, ARG297E, ARG297F, ARG301E, ARG301F, ARG326F, ARG32E, ARG337F, ARG34E, ARG72F, ASN111F, ASN124F, ASN169E, ASN26E, ASN317E, ASN317F, ASN319E, ASN319F, ASN323F, ASN327F, ASP109F, ASP126F, ASP143E, ASP189E, ASP298E, ASP29E, ASP329F, ASP33E, ASP341F, ASP73F, GLN133F, GLN311E, GLN35E, GLN89F, GLU123F, GLU129F, GLU138E, GLU210E, GLU308E, GLU308F, GLU331F, GLU340F, GLU39E, GLU69F, GLY103E, GLY128F, GLY165E, GLY190E, GLY191E, GLY198E, GLY208E, GLY216E, GLY294E, GLY303E, GLY303F, GLY313E, GLY314E, GLY333F, HIS196E, HIS40E, HIS99E, ILE120F, ILE166E, ILE197E, ILE306E, ILE306F, ILE309E, ILE309F, ILE320F, ILE325F, LEU104E, LEU115F, LEU164E, LEU171E, LEU194E, LEU203E, LEU213E, LEU215E, LEU220E, LEU27E, LEU328F, LEU338F, LEU339F, LEU76F, LEU98E, LYS122F, LYS132F, LYS201E, LYS211E, LYS25E, LYS86F, MET117F, MET193E, MET28E, MET299E, MET299F, MET30E, MET310E, MET322F, MET335F, MET97E, PHE142E, PHE31E, PHE37E, PRO307E, PRO307F, PRO68F, SER102E, SER108F, SER110F, SER114F, SER205E, SER214E, SER305E, SER305F, SER330F, SER38E, THR170E, THR188E, THR200E, THR202E, THR206E, THR218E, THR316E, THR332F, THR41E, THR87F, TRP315E, TRP42E, TYR168E, TYR324F, VAL113F, VAL116F, VAL125F, VAL204E, VAL209E, VAL217E, VAL23E, VAL304E, VAL304F, VAL318E, VAL318F, VAL321F, VAL336F, VAL85F