3HF4

crystal structure of rat methemoglobin in r2 state

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 92
  • Norm. En. per Res.: -2.7626
• 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	-20.9718	21.0687	-254.254	-254.1571	92	6	10	9896	0	14	21
A-E	0.0	-12.6672	-74.9662	-87.6334	50	11	5	3746	0	14	15
A-F	-2.7097	5.5866	-103.972	-101.095	49	1	0	4155	0	14	10
B-E	0.0	11.9924	-102.507	-90.5146	55	2	0	4322	0	14	11
B-F	0.0	17.9604	-10.1782	7.7822	30	0	0	700	0	7	23
E-F	-15.5228	24.8001	-252.292	-243.0147	95	11	10	10100	1	14	21

Interface residues

• A-B: ALA110A, ALA120A, ALA123A, ALA126B, ALA128B, ALA129B, ALA130A, ALA135B, ALA27B, ALA28A, ALA34A, ALA35A, ALA51B, ARG104B, ARG30B, ARG31A, ASN108B, ASP116A, ASP126A, CYS104A, CYS111A, CYS125B, GLN127B, GLN131B, GLN30A, GLU101B, GLU121B, GLU26A, GLU26B, GLU27A, GLU7B, GLY107B, GLY115A, GLY115B, GLY119B, GLY29B, HIS103A, HIS112A, HIS113A, HIS116B, HIS117B, HIS122A, HIS2B, ILE110B, ILE112B, ILE54B, LEU101A, LEU105A, LEU105B, LEU106A, LEU109A, LEU114B, LEU118B, LEU125A, LEU29A, LEU31B, LEU32B, LYS120B, LYS127A, LYS132B, LYS99A, MET109B, MET121A, MET32A, MET55B, PHE100A, PHE117A, PHE122B, PHE130B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, PRO50A, SER102A, SER124A, SER52B, THR108A, THR118A, THR123B, TRP37B, TYR35B, VAL107A, VAL111B, VAL113B, VAL134B, VAL33B, VAL34B, VAL96A
• A-E: ALA123A, ALA130A, ALA130E, ALA4A, ALA4E, ALA88A, ALA88E, ARG141A, ARG141E, ASP5A, ASP5E, ASP6A, ASP6E, GLY78A, HIS89E, LEU136A, LEU136E, LEU2A, LEU2E, LEU76A, LEU76E, LYS127A, LYS127E, LYS139A, LYS139E, LYS7A, LYS99A, LYS99E, PRO77A, PRO77E, SER131A, SER131E, SER133E, SER138A, SER138E, SER3A, SER3E, SER81A, SER84A, SER84E, THR134A, THR134E, THR137A, THR137E, TYR140A, TYR140E, VAL135A, VAL135E, VAL1A, VAL1E
• A-F: ALA88A, ARG104F, ARG40F, ARG92A, ASN102F, ASN97A, ASP94A, ASP99F, CYS93F, GLN39F, GLU101F, HIS87A, HIS89A, HIS97F, ILE54F, LEU105F, LEU32F, LEU48F, LEU91A, LEU96F, LYS139A, LYS40A, LYS90A, LYS99A, PHE100A, PHE43A, PRO100F, PRO36F, PRO37A, PRO95A, SER138A, SER44A, SER49F, SER50F, THR137A, THR38A, THR38F, THR39A, THR41A, TRP37F, TYR145F, TYR35F, TYR41F, TYR42A, VAL33F, VAL34F, VAL93A, VAL96A, VAL98F
• B-E: ALA88E, ARG40B, ARG92E, ASN102B, ASN97E, ASP43B, ASP47B, ASP94B, ASP94E, ASP99B, CYS93B, GLN39B, GLU101B, GLY46B, HIS45E, HIS87E, HIS89E, HIS97B, ILE54B, LEU105B, LEU32B, LEU48B, LEU91E, LEU96B, LYS139E, LYS40E, LYS90E, LYS99E, PHE100E, PHE42B, PHE43E, PHE45B, PHE98E, PRO100B, PRO36B, PRO37E, PRO95E, SER138E, SER44E, SER49B, SER50B, THR137E, THR38B, THR38E, THR39E, THR41E, TRP37B, TYR145B, TYR35B, TYR41B, TYR42E, VAL33B, VAL93E, VAL96E, VAL98B
• B-F: ALA135B, ALA135F, ALA140B, ALA142B, ALA142F, ARG104B, ARG104F, ASP99B, GLU101B, GLU101F, GLY136B, GLY136F, HIS143B, HIS143F, HIS146F, HIS2B, HIS2F, LEU81B, LYS132B, LYS132F, LYS144B, LYS144F, LYS82B, LYS82F, SER139B, SER139F, TYR145B, TYR145F, VAL1B, VAL1F
• E-F: ALA110E, ALA120E, ALA123E, ALA126F, ALA128F, ALA129F, ALA130E, ALA135F, ALA27F, ALA28E, ALA34E, ALA35E, ALA51F, ARG104F, ARG30F, ARG31E, ASN108F, ASP116E, ASP126E, CYS104E, CYS111E, CYS125F, GLN127F, GLN131F, GLN30E, GLU101F, GLU121F, GLU23E, GLU26E, GLU26F, GLU27E, GLU7F, GLY107F, GLY115E, GLY115F, GLY119F, GLY29F, HIS103E, HIS112E, HIS113E, HIS116F, HIS117F, HIS122E, HIS2F, ILE110F, ILE112F, ILE54F, LEU101E, LEU105E, LEU105F, LEU106E, LEU109E, LEU114F, LEU118F, LEU125E, LEU29E, LEU31F, LEU32F, LYS120F, LYS127E, LYS132F, LYS99E, MET109F, MET121E, MET32E, MET55F, PHE100E, PHE117E, PHE122F, PHE130F, PHE33E, PHE36E, PRO114E, PRO119E, PRO124F, PRO36F, PRO37E, PRO50E, SER102E, SER124E, SER52F, THR108E, THR118E, THR123F, THR38E, TRP37F, TYR24E, TYR35F, VAL107E, VAL111F, VAL113F, VAL134F, VAL33F, VAL34F, VAL96E