3D4X

crystal structure determination of cat (felis silvestris catus) hemoglobin at 2.2 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -2.738
• 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	-20.3861	17.6009	-243.633	-246.4182	90	6	7	9187	0	15	20
A-C	-3.2545	-48.7293	-37.3002	-89.284	50	7	0	2235	2	8	12
A-D	-17.5941	32.5239	-138.207	-123.2772	59	2	0	5143	0	19	19
B-C	-12.4842	37.0821	-144.131	-119.5331	55	4	0	5401	0	18	17
B-D	0.0	0.0	-0.2429	-0.2429	11	0	0	61	0	3	4
C-D	-5.4741	15.7383	-240.191	-229.9268	87	7	6	9114	0	15	20

Interface residues

• A-B: ALA110A, ALA115A, ALA115B, ALA120A, ALA123A, ALA128B, ALA129B, ALA135B, ALA27B, ALA28A, ALA51B, ARG104B, ARG30B, ARG31A, ASN108B, ASN123B, ASN9A, ASP121B, ASP126A, ASP52B, CYS104A, CYS111A, CYS112B, CYS34A, GLN125B, GLN127B, GLN131B, GLU101B, GLU116A, GLU26B, GLU27A, GLU30A, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS113A, HIS116B, HIS117B, HIS120B, HIS122A, HIS50A, ILE54B, LEU105A, LEU105B, LEU106A, LEU109A, LEU110B, LEU114B, LEU125A, LEU29A, LEU31B, LEU32B, LYS127A, LYS132B, LYS99A, MET55B, PHE100A, PHE117A, PHE118B, PHE122B, PHE130B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, SER102A, SER124A, SER130A, SER35A, SER50B, THR108A, THR118A, THR32A, TRP37B, TYR35B, VAL107A, VAL109B, VAL111B, VAL113B, VAL121A, VAL126B, VAL134B, VAL33B, VAL34B, VAL96A
• A-C: ALA120C, ALA123A, ALA123C, ALA131A, ALA131C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, ASP94A, ASP94C, HIS122A, HIS122C, LEU106A, LEU125A, LEU125C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, PHE129A, PRO119C, PRO95A, PRO95C, SER102A, SER124A, SER124C, SER130A, SER130C, SER138A, SER138C, SER3A, THR134A, THR134C, TYR140A, TYR140C, TYR89C, VAL121C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA142D, ALA51D, ALA88A, ARG104D, ARG141A, ARG30D, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP94D, ASP99D, CYS34A, CYS93D, GLN39D, GLU101D, GLU43D, HIS146D, HIS45A, HIS92D, HIS97D, ILE54D, LEU105D, LEU31D, LEU32D, LEU48A, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE100A, PHE103D, PHE33A, PHE41D, PHE43A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, TYR89A, VAL33D, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA142B, ALA88C, ARG104B, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS34C, CYS93B, GLN39B, GLU101B, HIS146B, HIS45C, HIS92B, HIS97B, LEU105B, LEU31B, LEU48C, LEU91C, LEU96B, LYS139C, LYS144B, LYS40C, LYS90C, LYS95B, PHE100C, PHE103B, PHE33C, PHE36C, PHE41B, PHE43C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, TYR89C, VAL33B, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ARG104B, ARG104D, ASN139B, ASN139D, GLU101B, HIS143B, HIS143D, LYS82B, LYS82D, PHE2B, PHE2D
• C-D: ALA110C, ALA115C, ALA115D, ALA120C, ALA123C, ALA128D, ALA129D, ALA135D, ALA27D, ALA28C, ALA51D, ARG104D, ARG30D, ARG31C, ASN108D, ASN123D, ASP121D, ASP126C, ASP52D, CYS104C, CYS111C, CYS112D, CYS34C, GLN125D, GLN127D, GLN131D, GLU101D, GLU116C, GLU26D, GLU27C, GLU30C, GLY107D, GLY119D, GLY29D, GLY51C, HIS103C, HIS112C, HIS113C, HIS116D, HIS117D, HIS120D, HIS122C, HIS50C, ILE54D, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU114D, LEU125C, LEU29C, LEU31D, LEU32D, LYS127C, LYS132D, LYS99C, MET55D, PHE100C, PHE117C, PHE118D, PHE122D, PHE130D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER124C, SER130C, SER35C, THR108C, THR118C, THR32C, TRP37D, TYR35D, VAL107C, VAL109D, VAL111D, VAL113D, VAL121C, VAL126D, VAL134D, VAL33D, VAL34D