3O72

crystal structure of efeb in complex with heme

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 197
  • Norm. En. per Res.: -3.0944
• Hub Node: A(2)

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	-101.4086	-8.52	-489.03	-598.9586	197	8	11	21668	4	69	62
A-C	0.0	0.0	-0.1951	-0.1951	6	0	0	53	0	6	4
B-C	-6.0341	-59.2923	-146.454	-211.7804	98	9	1	7140	4	40	36
B-D	0.0	0.0	-0.0243	-0.0243	4	0	0	17	0	4	1
C-D	-103.2659	-17.8806	-488.456	-609.6025	197	10	11	21767	6	66	59

Interface residues

• A-B: ALA107A, ALA107B, ALA171A, ALA171B, ALA218A, ALA218B, ALA219B, ALA49A, ALA49B, ALA70A, ALA70B, ALA71A, ALA76A, ALA76B, ARG114A, ARG114B, ARG194A, ARG194B, ARG207A, ARG207B, ARG210A, ARG210B, ARG220A, ARG220B, ARG278A, ARG278B, ARG284A, ARG284B, ARG50A, ARG50B, ASN112A, ASN112B, ASN184A, ASN184B, ASN229A, ASN229B, ASN358A, ASN358B, ASP119A, ASP119B, ASP130A, ASP130B, ASP187A, ASP187B, ASP195A, ASP195B, ASP216A, ASP216B, ASP283A, ASP283B, ASP363A, ASP363B, GLN186A, GLN186B, GLN290A, GLN290B, GLN291A, GLN291B, GLN299A, GLN299B, GLN361A, GLN361B, GLU109A, GLU109B, GLU211A, GLU211B, GLU225A, GLU280A, GLU280B, GLU289A, GLU289B, GLY121A, GLY121B, GLY124A, GLY124B, GLY125A, GLY125B, GLY212A, GLY212B, GLY232A, GLY232B, GLY355A, GLY355B, GLY360A, GLY360B, GLY365A, GLY365B, HIS191A, HIS191B, HIS217A, HIS217B, ILE122A, ILE122B, ILE190A, ILE190B, ILE197A, ILE197B, ILE214A, ILE214B, ILE228A, ILE228B, LEU115A, LEU115B, LEU118A, LEU118B, LEU123A, LEU123B, LEU172A, LEU172B, LEU193A, LEU193B, LEU230A, LEU230B, LEU231A, LEU231B, LEU287A, LEU287B, LEU354A, LEU354B, LEU362A, LEU362B, LEU74A, LEU74B, LYS198A, LYS198B, LYS209A, LYS209B, LYS234A, LYS234B, LYS288A, LYS288B, LYS298A, LYS298B, PHE213A, PHE213B, PHE233A, PHE233B, PHE277A, PHE277B, PHE281A, PHE281B, PHE77A, PHE77B, PRO108B, PRO111A, PRO111B, PRO113A, PRO113B, PRO116A, PRO116B, PRO117A, PRO117B, PRO201A, PRO201B, PRO227B, PRO286A, PRO286B, SER120A, SER120B, SER205A, SER205B, SER215A, SER215B, SER351A, SER351B, SER353A, SER353B, SER359A, SER359B, THR110A, THR110B, THR185A, THR185B, THR188A, THR188B, THR285A, THR285B, THR357A, THR357B, TRP208A, TRP208B, TRP282A, TRP282B, TYR126A, TYR126B, TYR352A, TYR352B, VAL189A, VAL206A, VAL206B, VAL279A, VAL279B, VAL356A, VAL356B, VAL48B, VAL75A, VAL75B
• A-C: ALA85C, ARG422C, LEU80A, PRO116A, SER205A, VAL206A
• B-C: ALA106C, ALA107C, ALA316B, ALA325B, ALA390B, ALA412C, ALA85C, ALA99C, ARG114C, ARG162B, ARG278B, ARG284B, ARG331B, ARG385B, ARG422C, ARG89C, ARG92C, ARG97C, ASN112C, ASN165B, ASN358B, ASN387B, ASN413C, ASP166B, ASP318B, ASP327B, ASP363B, ASP411C, ASP414C, ASP86C, GLN103C, GLN276B, GLN361B, GLN383B, GLN96C, GLU109C, GLU280B, GLU289B, GLU320B, GLU389B, GLU392B, GLU393B, GLU88C, GLY104C, GLY105C, GLY321B, GLY360B, GLY388B, HIS199C, ILE293B, ILE398B, LEU115C, LEU118C, LEU168B, LEU203C, LEU326B, LEU332B, LEU386B, LEU391B, LEU90C, LEU93C, LYS198C, LYS384B, LYS396B, LYS410C, LYS53C, PHE100C, PHE163B, PHE281B, PRO108C, PRO111C, PRO113C, PRO116C, PRO164B, PRO286B, PRO319B, PRO335B, PRO397B, SER167B, SER328B, SER359B, SER418C, THR110C, THR285B, THR357B, THR381B, THR95C, TRP282B, TYR126C, TYR315B, TYR394B, TYR415C, TYR57C, VAL279B, VAL356B, VAL382B, VAL395B, VAL409C
• B-D: GLN299D, LEU326B, LYS384B, PRO286D
• C-D: ALA107C, ALA128D, ALA171C, ALA171D, ALA218C, ALA218D, ALA219C, ALA49C, ALA49D, ALA70C, ALA70D, ALA71C, ALA76C, ALA76D, ARG114C, ARG114D, ARG194C, ARG194D, ARG207C, ARG207D, ARG210C, ARG210D, ARG220C, ARG220D, ARG278C, ARG278D, ARG284C, ARG284D, ARG50C, ARG50D, ASN112C, ASN112D, ASN184C, ASN184D, ASN229C, ASN229D, ASN358C, ASN358D, ASN51D, ASP119C, ASP119D, ASP130C, ASP130D, ASP187C, ASP187D, ASP195C, ASP195D, ASP216C, ASP216D, ASP283C, ASP283D, ASP363C, ASP363D, GLN186C, GLN186D, GLN290C, GLN290D, GLN291C, GLN291D, GLN299C, GLN299D, GLN361C, GLN361D, GLU109C, GLU109D, GLU211C, GLU211D, GLU225D, GLU280C, GLU280D, GLU289C, GLU289D, GLY121C, GLY121D, GLY124C, GLY124D, GLY125C, GLY125D, GLY212C, GLY212D, GLY232C, GLY232D, GLY355C, GLY355D, GLY360C, GLY360D, GLY365C, GLY365D, HIS191C, HIS191D, HIS217C, HIS217D, ILE122C, ILE122D, ILE127D, ILE190C, ILE190D, ILE197C, ILE197D, ILE214C, ILE214D, ILE228C, ILE228D, LEU115C, LEU115D, LEU118C, LEU118D, LEU123C, LEU123D, LEU172C, LEU172D, LEU193C, LEU193D, LEU230C, LEU230D, LEU231C, LEU231D, LEU287C, LEU287D, LEU354C, LEU354D, LEU362C, LEU362D, LEU74C, LEU74D, LYS198C, LYS198D, LYS209C, LYS209D, LYS234C, LYS234D, LYS288C, LYS288D, LYS298C, LYS298D, PHE213C, PHE213D, PHE233C, PHE233D, PHE277C, PHE277D, PHE281C, PHE281D, PHE77C, PHE77D, PRO108C, PRO111C, PRO111D, PRO113C, PRO113D, PRO116C, PRO116D, PRO117C, PRO117D, PRO201C, PRO201D, PRO286C, PRO286D, SER120C, SER120D, SER205C, SER205D, SER215C, SER215D, SER351C, SER351D, SER353C, SER353D, SER359D, THR110C, THR110D, THR185C, THR185D, THR188C, THR188D, THR285C, THR285D, THR357C, THR357D, TRP208C, TRP208D, TRP282C, TRP282D, TYR126C, TYR126D, TYR352C, TYR352D, VAL189D, VAL206C, VAL206D, VAL279C, VAL279D, VAL356C, VAL356D, VAL48C, VAL75C, VAL75D