3DAK

crystal structure of domain-swapped osr1 kinase domain

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 176
  • Norm. En. per Res.: -3.3117
• 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	-29.4202	1.4729	-152.875	-180.8223	82	6	3	6237	3	25	32
A-D	-24.5217	33.8956	-592.235	-582.8611	176	19	13	23316	8	31	28
B-C	-28.0636	31.6881	-544.575	-540.9506	169	19	9	22255	8	30	32

Interface residues

• A-B: ALA283A, ALA283B, ALA66A, ALA66B, ALA7A, ALA7B, ARG128A, ARG128B, ARG287A, ARG287B, ASN140A, ASN140B, ASN74A, ASN74B, ASP58A, ASP58B, CYS70A, CYS70B, GLN142B, GLN65A, GLN65B, GLN69A, GLN69B, GLU129A, GLU129B, GLU132A, GLU132B, GLU135A, GLU135B, GLU63A, GLU63B, GLY133A, GLY133B, GLY141A, GLY141B, HIS138A, HIS138B, HIS71A, HIS71B, HIS72A, HIS72B, ILE64A, ILE64B, ILE75A, ILE75B, LEU131B, LEU137A, LEU137B, LEU286A, LEU286B, LEU60B, LEU61A, LEU61B, LEU8A, LEU8B, LYS139A, LYS139B, LYS39A, LYS39B, LYS62A, LYS62B, MET57B, MET67A, MET67B, PRO73A, PRO73B, PRO9A, PRO9B, SER68A, SER68B, SER6A, SER6B, SER77A, SER77B, TRP10A, TRP10B, TYR136A, TYR136B, TYR78A, TYR78B, TYR79A, TYR79B
• A-D: ALA149A, ALA149D, ALA169A, ALA169D, ALA172A, ALA172D, ALA194A, ALA194D, ALA208A, ALA208D, ALA217A, ALA217D, ALA224A, ALA224D, ALA225A, ALA225D, ALA27A, ARG145A, ARG145D, ARG179D, ARG202A, ARG202D, ARG279A, ARG279D, ASN151A, ASN151D, ASN180D, ASN242A, ASN242D, ASP146A, ASP146D, ASP176D, ASP205A, ASP205D, ASP209A, ASP209D, ASP275A, ASP275D, CYS191A, CYS191D, CYS271A, CYS271D, CYS53A, GLN200A, GLN200D, GLN241A, GLN241D, GLN273A, GLN273D, GLN54A, GLU196A, GLU196D, GLU199A, GLU199D, GLU219A, GLU219D, GLU277A, GLU277D, GLY150A, GLY150D, GLY174A, GLY174D, GLY175A, GLY175D, GLY188A, GLY188D, GLY203A, GLY203D, GLY214A, GLY214D, GLY223A, GLY223D, HIS228A, HIS228D, ILE104A, ILE104D, ILE143A, ILE143D, ILE177D, ILE210A, ILE210D, ILE215A, ILE215D, ILE218A, ILE218D, LEU101A, LEU101D, LEU171A, LEU171D, LEU220A, LEU220D, LEU236A, LEU236D, LEU238A, LEU238D, LEU240A, LEU240D, LEU272A, LEU272D, LYS148A, LYS148D, LYS207A, LYS207D, LYS229A, LYS229D, LYS234A, LYS234D, LYS274A, LYS274D, LYS278A, LYS278D, LYS52A, MET193A, MET193D, MET198A, MET198D, MET233A, MET233D, MET237A, MET237D, PHE170A, PHE170D, PHE186D, PHE206A, PHE206D, PHE213A, PHE213D, PRO190A, PRO190D, PRO195A, PRO195D, PRO226A, PRO226D, PRO231A, PRO231D, PRO232A, PRO232D, PRO244A, PRO244D, PRO245A, PRO245D, PRO276A, PRO276D, SER212A, SER212D, THR173A, THR173D, THR178D, THR189A, THR189D, THR216A, THR216D, THR239A, THR239D, THR28A, THR28D, TRP192A, TRP192D, TRP211A, TRP211D, TYR204A, TYR204D, TYR227A, TYR227D, TYR230A, TYR230D, VAL147A, VAL147D, VAL187A, VAL187D, VAL197A, VAL197D, VAL201A, VAL201D, VAL235A, VAL235D
• B-C: ALA149B, ALA149C, ALA169B, ALA172B, ALA172C, ALA194B, ALA194C, ALA208B, ALA208C, ALA217B, ALA217C, ALA224B, ALA224C, ALA225B, ALA225C, ALA27B, ARG145B, ARG145C, ARG202B, ARG202C, ARG279B, ARG279C, ASN151B, ASN151C, ASN242B, ASN242C, ASP146B, ASP146C, ASP176B, ASP176C, ASP205B, ASP205C, ASP209B, ASP209C, ASP243C, ASP275B, ASP275C, CYS191B, CYS191C, CYS271B, CYS271C, CYS53B, GLN200B, GLN200C, GLN241B, GLN241C, GLN273B, GLN273C, GLN54B, GLU196B, GLU196C, GLU199B, GLU199C, GLU219B, GLU219C, GLU277B, GLU277C, GLY150B, GLY150C, GLY174B, GLY174C, GLY175B, GLY175C, GLY188C, GLY203B, GLY203C, GLY214B, GLY214C, GLY223B, GLY223C, HIS228B, HIS228C, ILE104B, ILE104C, ILE143B, ILE143C, ILE210B, ILE210C, ILE215B, ILE215C, ILE218B, ILE218C, LEU101B, LEU101C, LEU171B, LEU220B, LEU220C, LEU236B, LEU236C, LEU238B, LEU238C, LEU240B, LEU240C, LEU272B, LEU272C, LYS148B, LYS148C, LYS207B, LYS207C, LYS229B, LYS229C, LYS234B, LYS234C, LYS274B, LYS274C, LYS278B, LYS278C, LYS52B, MET193B, MET193C, MET198B, MET198C, MET233B, MET233C, MET237B, MET237C, PHE170B, PHE186C, PHE206B, PHE206C, PHE213B, PHE213C, PRO190B, PRO190C, PRO195B, PRO195C, PRO226B, PRO226C, PRO231B, PRO231C, PRO232B, PRO232C, PRO244B, PRO244C, PRO245B, PRO245C, PRO276B, PRO276C, SER212B, SER212C, THR173B, THR173C, THR185C, THR189B, THR189C, THR216B, THR216C, THR239B, THR239C, THR28B, TRP192B, TRP192C, TRP211B, TRP211C, TYR204B, TYR204C, TYR227B, TYR227C, TYR230B, TYR230C, VAL147B, VAL147C, VAL187C, VAL197B, VAL197C, VAL201B, VAL201C, VAL235B, VAL235C