3APY

properties and crystal structure of methylenetetrahydrofolate reductase from thermus thermophilus hb8

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -4.4469
• 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	-132.0882	-112.9495	-310.83	-555.8677	125	33	6	13043	12	50	55
A-C	0.0	83.2752	-35.286	47.9892	41	3	0	1632	1	38	37
A-F	-10.0936	-0.8356	-58.3001	-69.2292	49	3	1	3381	0	32	28
C-D	-117.1878	-89.155	-333.188	-539.5308	125	27	7	12906	10	49	58
C-H	-17.8601	-1.9061	-29.8662	-49.6324	29	1	0	1097	0	35	26
D-H	0.0	0.0	-0.2255	-0.2255	4	0	0	37	0	2	0
E-F	-115.7349	-87.2549	-317.771	-520.7608	126	37	7	12985	10	49	56
E-G	0.0	78.2805	-28.2829	49.9976	44	4	0	1660	2	39	36
G-H	-115.569	-90.8021	-334.852	-541.2231	125	23	7	12859	12	48	58

Interface residues

• A-B: ALA161A, ALA161B, ALA186A, ALA186B, ALA195A, ALA195B, ALA198A, ALA198B, ALA226A, ALA226B, ALA234A, ALA234B, ALA264A, ALA264B, ARG112A, ARG115A, ARG115B, ARG194A, ARG194B, ARG196A, ARG196B, ARG197A, ARG197B, ARG218A, ARG218B, ARG219A, ARG219B, ARG238A, ARG238B, ARG256A, ARG256B, ASN184A, ASN184B, ASN185A, ASN185B, ASP162A, ASP162B, CYS224A, CYS224B, GLN240A, GLN240B, GLN257A, GLN257B, GLU151A, GLU151B, GLU157A, GLU157B, GLU160A, GLU160B, GLU193A, GLU193B, GLU222A, GLU222B, GLU237A, GLU237B, GLU260A, GLU260B, GLU263A, GLU263B, GLY152A, GLY152B, GLY190A, GLY190B, GLY225A, GLY225B, GLY230A, GLY230B, HIS153A, HIS153B, HIS187A, HIS187B, ILE228A, ILE228B, LEU159A, LEU159B, LEU163A, LEU163B, LEU192A, LEU192B, LEU217A, LEU217B, LEU232A, LEU232B, LEU233A, LEU233B, LEU236A, LEU236B, LEU261A, LEU261B, LYS235A, LYS235B, PHE182A, PHE182B, PHE183A, PHE183B, PHE189A, PHE189B, PHE191A, PHE191B, PHE220A, PHE220B, PRO150A, PRO150B, PRO154A, PRO154B, PRO229A, PRO229B, PRO231A, PRO231B, SER156A, SER156B, SER158A, SER158B, SER227A, SER227B, THR221A, THR221B, TYR149A, TYR149B, TYR188A, TYR188B, TYR214A, TYR214B, VAL223A, VAL223B
• A-C: ALA30A, ALA30C, ALA40A, ALA40C, ARG281A, ARG281C, ARG286A, ARG286C, ARG290A, ARG33A, ARG33C, ASP242A, ASP242C, GLU248A, GLU26A, GLU26C, GLU285A, GLU285C, GLU29A, GLU29C, GLU36A, GLU36C, GLU37A, GLU37C, LYS244A, LYS244C, LYS276C, MET282A, MET282C, PHE32A, PHE32C, PHE41A, PHE41C, PRO243A, PRO243C, PRO278A, PRO278C, PRO291A, PRO291C, SER277A, SER277C
• A-F: ALA245F, ALA264A, ALA279F, ALA44A, ALA9A, ARG10A, ARG11A, ARG281F, ARG286F, ARG290F, ARG33F, ARG42A, ASN73A, ASP241F, ASP242F, ASP5A, GLN240F, GLU248F, GLU263A, GLU267A, GLU285F, GLU29F, GLU37F, GLY12A, GLY265A, GLY71A, HIS239F, LEU14A, LEU247F, LEU262A, LEU6A, LEU72A, LEU7A, LYS244F, LYS276F, LYS8A, MET1A, MET282F, PHE45A, PRO13A, PRO243F, PRO278F, PRO291F, PRO43A, SER277F, THR212F, VAL246F, VAL251F, VAL266A
• C-D: ALA161C, ALA161D, ALA186C, ALA186D, ALA195C, ALA195D, ALA198C, ALA198D, ALA226C, ALA226D, ALA234C, ALA234D, ALA264C, ALA264D, ARG112C, ARG115D, ARG194C, ARG194D, ARG196C, ARG196D, ARG197C, ARG197D, ARG215D, ARG218C, ARG218D, ARG219C, ARG219D, ARG238C, ARG238D, ARG256C, ARG256D, ASN184C, ASN184D, ASN185C, ASN185D, ASP162C, ASP162D, CYS224C, CYS224D, GLN240C, GLN240D, GLN257C, GLN257D, GLU151C, GLU151D, GLU157C, GLU157D, GLU160C, GLU160D, GLU193C, GLU193D, GLU222C, GLU222D, GLU237C, GLU237D, GLU260C, GLU260D, GLU263C, GLU263D, GLY152C, GLY152D, GLY190C, GLY190D, GLY225C, GLY225D, GLY230C, GLY230D, HIS153C, HIS153D, HIS187C, HIS187D, HIS253C, ILE228C, ILE228D, LEU159C, LEU159D, LEU163C, LEU163D, LEU192C, LEU192D, LEU217C, LEU217D, LEU232C, LEU232D, LEU233C, LEU233D, LEU236C, LEU236D, LEU261C, LEU261D, LYS235C, LYS235D, PHE182C, PHE182D, PHE183C, PHE183D, PHE189C, PHE189D, PHE191C, PHE191D, PHE220C, PHE220D, PRO150C, PRO150D, PRO154C, PRO154D, PRO229C, PRO229D, PRO231C, PRO231D, SER156C, SER158C, SER158D, SER227C, SER227D, THR221C, THR221D, TYR149C, TYR149D, TYR188C, TYR188D, TYR214C, TYR214D, VAL223C, VAL223D
• C-H: ARG135C, ARG137C, ARG141C, ARG196C, ARG215H, ARG4C, ASP140C, ASP241H, ASP242H, ASP24H, ASP5C, GLN240H, GLU136C, GLU26H, GLU29H, GLY139C, GLY199C, GLY201C, HIS239H, ILE200C, ILE202C, LYS23H, LYS244H, LYS2C, LYS8C, PRO243H, PRO25H, TYR138C, VAL142C
• D-H: ARG197D, ASP24H, GLU26H, PRO25H
• E-F: ALA161E, ALA161F, ALA186E, ALA186F, ALA195E, ALA195F, ALA198E, ALA198F, ALA226E, ALA226F, ALA234E, ALA234F, ALA264E, ALA264F, ARG112E, ARG115E, ARG115F, ARG164E, ARG194E, ARG194F, ARG196E, ARG196F, ARG197E, ARG197F, ARG218E, ARG218F, ARG219E, ARG219F, ARG238E, ARG238F, ARG256E, ARG256F, ASN184E, ASN184F, ASN185E, ASN185F, ASP162E, ASP162F, CYS224E, CYS224F, GLN240E, GLN240F, GLN257E, GLN257F, GLU151E, GLU151F, GLU157E, GLU157F, GLU160E, GLU160F, GLU193E, GLU193F, GLU222E, GLU222F, GLU237E, GLU237F, GLU260E, GLU260F, GLU263E, GLU263F, GLY152E, GLY152F, GLY190E, GLY190F, GLY199F, GLY225E, GLY225F, GLY230E, GLY230F, HIS153E, HIS187E, HIS187F, HIS253E, ILE228E, ILE228F, LEU159E, LEU159F, LEU163E, LEU163F, LEU192E, LEU192F, LEU217E, LEU217F, LEU232E, LEU232F, LEU233E, LEU233F, LEU236E, LEU236F, LEU261E, LEU261F, LYS235E, LYS235F, PHE182E, PHE182F, PHE183E, PHE183F, PHE189E, PHE189F, PHE191E, PHE191F, PHE220E, PHE220F, PRO150E, PRO150F, PRO154E, PRO154F, PRO229E, PRO229F, PRO231E, PRO231F, SER156F, SER158E, SER158F, SER227E, SER227F, THR221E, THR221F, TYR149E, TYR149F, TYR188E, TYR188F, TYR214E, TYR214F, VAL223E, VAL223F
• E-G: ALA30E, ALA30G, ALA40E, ALA40G, ARG281E, ARG281G, ARG286E, ARG286G, ARG290E, ARG290G, ARG33E, ARG33G, ASP242E, ASP242G, GLU248E, GLU26E, GLU26G, GLU285E, GLU285G, GLU29E, GLU29G, GLU36E, GLU36G, GLU37E, GLU37G, LEU289E, LYS244E, LYS244G, LYS276G, LYS39E, MET282E, MET282G, PHE32E, PHE32G, PHE41E, PHE41G, PRO243E, PRO243G, PRO278E, PRO278G, PRO291E, PRO291G, SER277E, SER277G
• G-H: ALA161G, ALA161H, ALA186G, ALA186H, ALA195G, ALA195H, ALA198G, ALA198H, ALA226G, ALA226H, ALA234G, ALA234H, ALA264G, ALA264H, ARG112G, ARG115H, ARG194G, ARG194H, ARG196G, ARG196H, ARG197G, ARG197H, ARG215H, ARG218G, ARG218H, ARG219G, ARG219H, ARG238G, ARG238H, ARG256G, ARG256H, ASN184G, ASN184H, ASN185G, ASN185H, ASP162G, ASP162H, CYS224G, CYS224H, GLN240G, GLN240H, GLN257G, GLN257H, GLU151G, GLU151H, GLU157G, GLU157H, GLU160G, GLU160H, GLU193G, GLU193H, GLU222G, GLU222H, GLU237G, GLU237H, GLU260G, GLU260H, GLU263G, GLU263H, GLY152G, GLY152H, GLY190G, GLY190H, GLY225G, GLY225H, GLY230G, GLY230H, HIS153G, HIS153H, HIS187G, HIS187H, ILE228G, ILE228H, LEU159G, LEU159H, LEU163G, LEU163H, LEU192G, LEU192H, LEU217G, LEU217H, LEU232G, LEU232H, LEU233G, LEU233H, LEU236G, LEU236H, LEU261G, LEU261H, LYS235G, LYS235H, PHE182G, PHE182H, PHE183G, PHE183H, PHE189G, PHE189H, PHE191G, PHE191H, PHE220G, PHE220H, PRO150G, PRO150H, PRO154G, PRO154H, PRO229G, PRO229H, PRO231G, PRO231H, SER156G, SER156H, SER158G, SER158H, SER227G, SER227H, THR221G, THR221H, TYR149G, TYR149H, TYR188G, TYR188H, TYR214G, TYR214H, VAL223G, VAL223H