2QLS

crystal structure of hemoglobin from dog (canis familiaris) at 3.5 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 87
  • Norm. En. per Res.: -2.6439
• 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	-16.2139	28.286	-245.441	-233.3689	90	10	5	9779	0	15	20
A-C	-3.2461	-5.4103	-35.0714	-43.7278	39	9	0	2521	0	8	13
A-D	0.0	14.5768	-116.641	-102.0642	55	2	0	4697	0	13	12
B-C	-9.4528	14.4525	-108.35	-103.3503	54	1	0	4566	0	13	12
B-D	-12.0349	5.4607	-20.6061	-27.1804	30	1	0	959	0	10	27
C-D	-8.9624	16.3364	-237.391	-230.017	87	6	5	9431	1	15	20

Interface residues

• A-B: ALA110A, ALA115B, ALA120A, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA27B, ALA28A, ARG30B, ARG31A, ASN108B, ASP126A, ASP30A, ASP52B, CYS104A, CYS111A, CYS112B, GLN125B, GLN127B, GLN131B, GLN34A, GLU101B, GLU116A, GLU121B, GLU26B, GLU27A, GLU7B, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS113A, HIS116B, HIS117B, HIS122A, HIS2B, ILE33B, LEU100A, LEU105B, LEU106A, LEU109A, LEU10B, LEU110B, LEU114B, LEU125A, LEU29A, LEU31B, LYS104B, LYS120B, LYS127A, LYS132B, LYS99A, MET55B, PHE117A, PHE118B, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, PRO50A, PRO51B, SER102A, SER124A, SER35A, THR108A, THR115A, THR118A, THR123B, THR32A, TRP37B, TYR130B, TYR24A, TYR35B, VAL107A, VAL109B, VAL111B, VAL113B, VAL121A, VAL126B, VAL134B, VAL34B, VAL54B, VAL96A
• A-C: ALA123A, ALA123C, ALA130A, ALA130C, ALA131A, ALA131C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, LEU2A, LEU2C, LEU76A, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, PHE129A, SER133A, SER138A, SER138C, SER3A, SER3C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL132A, VAL135A, VAL1A, VAL1C
• A-D: ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP43D, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLU101D, HIS45A, HIS87A, HIS92D, HIS97D, ILE33D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE36A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, TYR89A, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP43B, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLU101B, HIS45C, HIS87C, HIS97B, ILE33B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER49B, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, TYR89C, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA135B, ALA135D, ALA140D, ALA142B, ALA142D, ASN139B, ASN139D, GLU101B, GLU101D, GLY136B, GLY136D, HIS143B, HIS143D, HIS146B, HIS146D, HIS2B, HIS2D, LEU81B, LEU81D, LYS104B, LYS104D, LYS132B, LYS132D, LYS144D, LYS82B, LYS82D, TYR145B, TYR145D, VAL1B, VAL1D
• C-D: ALA110C, ALA115D, ALA120C, ALA123C, ALA128D, ALA129D, ALA130C, ALA135D, ALA27D, ALA28C, ARG30D, ARG31C, ASN108D, ASP126C, ASP30C, ASP52D, CYS104C, CYS111C, CYS112D, GLN125D, GLN127D, GLN131D, GLN34C, GLU101D, GLU116C, GLU121D, GLU26D, GLU27C, GLY107D, GLY119D, GLY26C, GLY29D, HIS103C, HIS112C, HIS113C, HIS116D, HIS117D, HIS122C, ILE33D, LEU100C, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU114D, LEU125C, LEU29C, LEU31D, LYS104D, LYS120D, LYS127C, LYS132D, LYS99C, MET55D, PHE117C, PHE118D, PHE122D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, PRO50C, PRO51D, SER124C, SER35C, THR108C, THR115C, THR118C, THR123D, THR32C, TRP37D, TYR130D, TYR24C, TYR35D, VAL107C, VAL109D, VAL111D, VAL113D, VAL121C, VAL126D, VAL134D, VAL34D, VAL54D