3CY5

crystal structure determination of buffalo (bubalus bubalis) hemoglobin at 2 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 64
  • Norm. En. per Res.: -2.8914
• 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	-13.8696	13.5642	-253.44	-253.7455	91	11	11	10246	0	18	21
A-C	0.0	0.0	-3.9227	-3.9227	32	0	0	771	0	6	7
A-D	-16.4248	12.8599	-181.487	-185.0519	64	17	0	6725	0	19	15
B-C	-4.0651	-9.2251	-142.23	-155.5202	56	3	0	5232	1	16	15
B-D	0.0	1.2783	-34.2515	-32.9732	33	6	0	1338	0	10	20
C-D	-15.5424	15.4715	-253.909	-253.9799	90	11	11	10154	1	17	19

Interface residues

• A-B: ALA110A, ALA115B, ALA120A, ALA123A, ALA128B, ALA130A, ALA135B, ALA26A, ALA27B, ALA28A, ALA51B, ARG116B, ARG30B, ARG31A, ASN108B, ASN115A, ASN56B, ASP116A, ASP126A, ASP129B, ASP52B, GLN127B, GLN131B, GLU101B, GLU121B, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS117B, HIS122A, HIS50A, LEU100A, LEU105A, LEU105B, LEU106A, LEU109A, LEU110B, LEU113A, LEU114B, LEU125A, LEU126B, LEU29A, LEU31B, LEU32B, LEU34A, LYS104B, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE118B, PHE122B, PHE130B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, SER102A, SER104A, SER111A, SER124A, SER35A, THR108A, THR118A, THR123B, TRP37B, TYR35B, VAL107A, VAL109B, VAL111B, VAL112B, VAL113B, VAL121A, VAL125B, VAL134B, VAL33B, VAL34B, VAL54B, VAL96A
• A-C: ALA120C, ALA123A, ALA123C, ARG141A, ARG141C, LEU2A, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PRO119C, PRO77A, PRO77C, PRO95C, SER138A, SER138C, SER3A, SER3C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL135A, VAL135C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA51D, ALA53D, ALA88A, ARG141A, ARG30D, ARG40D, ARG92A, ASN102D, ASN97A, ASP47D, ASP52D, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLU101D, GLU43D, GLY29D, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS104D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, MET55D, PHE36A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, THR50D, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL33D, VAL34D, VAL54D, VAL93A, VAL96A, VAL98D
• B-C: ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLU101B, GLU43B, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS104B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER49B, THR137C, THR38B, THR38C, THR39C, THR41C, THR50B, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL33B, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA135B, ALA135D, ALA140B, ALA142B, ALA142D, ARG144B, ARG144D, ASN139B, ASN139D, ASP99D, GLU101B, GLU101D, GLY136B, GLY136D, HIS143B, HIS143D, HIS146B, HIS146D, LEU3B, LEU3D, LEU81B, LYS104B, LYS104D, LYS132B, LYS132D, LYS82B, LYS82D, MET2B, MET2D, PRO100B, PRO100D, TYR145B, TYR145D
• C-D: ALA110C, ALA115D, ALA120C, ALA123C, ALA128D, ALA130C, ALA135D, ALA26C, ALA27D, ALA28C, ALA51D, ARG116D, ARG30D, ARG31C, ASN108D, ASN115C, ASN56D, ASP116C, ASP126C, ASP129D, ASP52D, GLN127D, GLN131D, GLU101D, GLU121D, GLU26D, GLU27C, GLU30C, GLY107D, GLY119D, GLY29D, HIS103C, HIS112C, HIS117D, HIS122C, HIS50C, LEU100C, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU113C, LEU114D, LEU125C, LEU126D, LEU29C, LEU31D, LEU34C, LYS104D, LYS120D, LYS127C, LYS132D, LYS99C, MET2D, MET32C, MET55D, PHE117C, PHE118D, PHE122D, PHE130D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER102C, SER104C, SER111C, SER124C, SER35C, THR108C, THR118C, THR123D, THR50D, TRP37D, TYR35D, VAL107C, VAL109D, VAL111D, VAL112D, VAL113D, VAL121C, VAL125D, VAL134D, VAL33D, VAL34D, VAL54D