3T1B

crystal structure of the full-length aphb n100e variant

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 183
  • Norm. En. per Res.: -3.9161
• Hub Node: B(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
B-C	0.0	0.0	-0.0057	-0.0057	6	0	0	5	0	1	8
B-A	-133.4331	-20.1433	-563.07	-716.6464	183	47	6	21543	5	47	53
B-D	-67.5846	-45.4775	-384.214	-497.276	144	29	8	16931	7	68	58
C-A	-76.296	-66.9743	-396.39	-539.6602	149	31	8	17343	10	70	57
C-D	-115.4719	-4.7478	-505.056	-625.2758	181	36	6	20426	2	47	48
A-D	0.0	0.0	-0.4418	-0.4418	5	0	0	86	0	7	5

Interface residues

• B-C: ALA52B, ARG212C, ARG53C, GLU59B, HIS51B, HIS51C
• B-A: ALA112A, ALA112B, ALA130A, ALA217A, ALA217B, ALA219A, ALA219B, ALA226A, ALA226B, ALA30B, ALA52B, ALA97A, ALA97B, ARG104A, ARG104B, ARG143A, ARG148A, ARG212A, ARG212B, ARG214A, ARG214B, ARG224A, ARG224B, ARG34B, ARG50B, ARG53B, ARG92A, ARG92B, ARG94A, ARG94B, ASN111A, ASN111B, ASN128A, ASN128B, ASN15B, ASN209A, ASN221A, ASN221B, ASP119A, ASP119B, ASP131A, ASP132A, ASP134A, ASP149A, ASP211A, ASP211B, CYS227A, CYS227B, GLN129A, GLN169A, GLN169B, GLN187A, GLN187B, GLN198A, GLN216A, GLN216B, GLU100A, GLU100B, GLU115A, GLU115B, GLU123A, GLU123B, GLU229A, GLU229B, GLY16B, GLY191A, GLY191B, GLY213A, GLY213B, GLY230A, GLY230B, GLY91B, HIS121A, HIS121B, HIS174A, HIS174B, HIS51B, ILE120A, ILE120B, ILE122A, ILE122B, ILE27B, ILE32B, ILE93A, ILE93B, ILE95A, ILE95B, LEU101A, LEU101B, LEU124A, LEU124B, LEU133A, LEU188A, LEU188B, LEU189A, LEU189B, LEU194A, LEU195A, LEU195B, LEU220A, LEU220B, LEU231A, LEU231B, LEU55B, LYS103A, LYS103B, LYS116A, LYS116B, LYS190A, LYS190B, LYS196A, LYS23B, LYS24B, LYS54B, MET105B, MET106A, MET106B, MET107A, MET107B, MET109A, MET109B, MET114A, MET114B, MET125A, MET125B, MET126A, MET126B, MET240A, MET26B, PHE110A, PHE110B, PHE113A, PHE113B, PHE215A, PHE215B, PHE244A, PHE244B, PRO108A, PRO108B, PRO118A, PRO118B, PRO135A, PRO193A, PRO28B, PRO98A, PRO98B, SER127A, SER127B, SER17B, SER20B, SER210A, SER218A, SER218B, SER225A, SER225B, SER228A, SER228B, SER22B, SER96A, SER96B, SER99A, SER99B, THR102A, THR102B, THR19B, THR21B, THR25B, THR31B, TRP138A, TRP138B, TRP197A, TYR117A, TYR117B, TYR18B, TYR192A, TYR192B, TYR288B, VAL208A, VAL222A, VAL222B, VAL223A, VAL223B, VAL29B
• B-D: ALA38B, ALA60B, ALA60D, ALA76B, ALA76D, ALA89B, ARG10B, ARG10D, ARG279D, ARG35B, ARG35D, ARG46B, ARG46D, ARG50B, ARG63B, ARG63D, ARG74B, ARG74D, ARG87B, ARG87D, ARG92B, ARG92D, ARG94D, ASN269D, ASN44B, ASN44D, ASN49B, ASN7B, ASN7D, ASP119B, ASP134D, ASP139D, ASP149D, ASP272D, ASP41B, ASP41D, ASP4B, ASP4D, ASP5B, ASP5D, ASP67B, ASP67D, ASP84B, ASP84D, CYS68B, CYS68D, CYS86B, CYS86D, GLN274D, GLN37B, GLU137D, GLU276D, GLU40B, GLU40D, GLU59B, GLU59D, GLU62B, GLU62D, GLU73B, GLU73D, GLU80B, GLU80D, GLU81B, GLU81D, GLU85B, GLU85D, GLY61B, GLY61D, GLY88B, GLY88D, GLY91B, GLY91D, HIS270D, HIS273B, HIS273D, HIS51B, ILE27B, ILE36B, ILE82B, ILE82D, ILE93D, LEU11D, LEU152D, LEU39B, LEU39D, LEU3B, LEU3D, LEU43B, LEU43D, LEU45B, LEU45D, LEU47B, LEU47D, LEU48B, LEU55B, LEU57B, LEU6B, LEU6D, LEU71B, LEU71D, LEU72B, LEU72D, LEU75B, LEU75D, LEU8B, LEU8D, LYS271D, LYS277D, LYS2B, LYS2D, LYS54B, LYS66B, LYS66D, MET1B, MET1D, MET78B, MET78D, PHE64B, PHE64D, PRO135D, PRO275D, PRO70B, PRO70D, SER150D, SER151D, SER42B, SER42D, SER69B, SER69D, SER77B, SER77D, SER90B, THR136D, THR31B, THR56B, THR58B, THR79B, THR79D, THR83B, THR83D, TRP138D, TYR65B, TYR65D, VAL278D
• C-A: ALA38C, ALA52C, ALA60A, ALA60C, ALA76A, ALA76C, ARG10A, ARG10C, ARG148A, ARG279A, ARG35A, ARG35C, ARG46A, ARG46C, ARG50C, ARG53C, ARG63A, ARG63C, ARG74A, ARG74C, ARG87A, ARG87C, ARG92A, ARG92C, ARG94A, ASN269A, ASN44A, ASN44C, ASN49C, ASN7A, ASN7C, ASP119C, ASP134A, ASP139A, ASP149A, ASP272A, ASP41A, ASP41C, ASP4A, ASP4C, ASP5A, ASP5C, ASP67A, ASP67C, ASP84A, ASP84C, CYS68A, CYS68C, CYS86A, CYS86C, GLN147A, GLN274A, GLN37C, GLU137A, GLU276A, GLU40A, GLU40C, GLU59A, GLU59C, GLU62A, GLU62C, GLU73A, GLU73C, GLU80A, GLU80C, GLU81A, GLU81C, GLU85A, GLU85C, GLY61A, GLY61C, GLY88A, GLY88C, GLY91A, GLY91C, HIS270A, HIS273A, HIS51C, ILE153A, ILE27C, ILE36C, ILE82A, ILE82C, ILE93A, LEU11C, LEU152A, LEU39A, LEU39C, LEU3A, LEU3C, LEU43A, LEU43C, LEU45A, LEU45C, LEU47A, LEU47C, LEU48C, LEU55C, LEU57C, LEU6A, LEU6C, LEU71A, LEU71C, LEU72A, LEU72C, LEU75A, LEU75C, LEU8A, LEU8C, LYS271A, LYS277A, LYS2A, LYS2C, LYS54C, LYS66A, LYS66C, MET1A, MET1C, MET78A, MET78C, PHE64A, PHE64C, PRO135A, PRO275A, PRO70A, PRO70C, SER150A, SER151A, SER42A, SER42C, SER69A, SER69C, SER77A, SER77C, SER90C, THR136A, THR25C, THR56C, THR58A, THR58C, THR79A, THR79C, THR83A, THR83C, TRP138A, TYR268A, TYR65A, TYR65C, VAL278A
• C-D: ALA112C, ALA112D, ALA130D, ALA217C, ALA217D, ALA219C, ALA219D, ALA226C, ALA226D, ALA30C, ALA52C, ALA97C, ALA97D, ARG104C, ARG104D, ARG143D, ARG148D, ARG212C, ARG212D, ARG214C, ARG214D, ARG224C, ARG224D, ARG34C, ARG35C, ARG50C, ARG53C, ARG92C, ARG92D, ARG94C, ARG94D, ASN111C, ASN111D, ASN128C, ASN128D, ASN221C, ASN221D, ASP119C, ASP119D, ASP131D, ASP132D, ASP134D, ASP149D, ASP211C, ASP211D, CYS227C, CYS227D, GLN129D, GLN169C, GLN169D, GLN187C, GLN187D, GLN216C, GLN216D, GLU100C, GLU100D, GLU115C, GLU115D, GLU123C, GLU123D, GLU137D, GLU229C, GLU229D, GLY191C, GLY191D, GLY213C, GLY213D, GLY230C, GLY230D, HIS121C, HIS121D, HIS174C, HIS174D, HIS51C, ILE120C, ILE120D, ILE122C, ILE122D, ILE27C, ILE32C, ILE93C, ILE93D, ILE95C, ILE95D, LEU101C, LEU101D, LEU124C, LEU124D, LEU133D, LEU188C, LEU188D, LEU189C, LEU189D, LEU194D, LEU195C, LEU195D, LEU220C, LEU220D, LEU231C, LEU231D, LEU55C, LYS103C, LYS103D, LYS116C, LYS116D, LYS190C, LYS190D, LYS196D, LYS23C, LYS24C, LYS54C, MET105C, MET105D, MET106C, MET106D, MET107C, MET107D, MET109C, MET114C, MET114D, MET125C, MET125D, MET126C, MET126D, MET240C, MET240D, MET26C, PHE110C, PHE110D, PHE113C, PHE113D, PHE215C, PHE215D, PHE244C, PHE244D, PRO108C, PRO108D, PRO118C, PRO118D, PRO135D, PRO193D, PRO28C, PRO98C, PRO98D, SER127C, SER127D, SER17C, SER20C, SER210D, SER218C, SER218D, SER225C, SER225D, SER228C, SER228D, SER22C, SER96C, SER99C, SER99D, THR102C, THR102D, THR136D, THR19C, THR21C, THR25C, THR31C, THR33C, TRP138C, TRP138D, TRP197D, TYR117C, TYR117D, TYR18C, TYR192C, TYR192D, VAL208D, VAL222C, VAL222D, VAL223C, VAL223D, VAL29C
• A-D: ARG212A, ARG212D, MET1A, SER42A, SER42D