1UM2

crystal structure of the vma1-derived endonuclease with the ligated extein segment

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 43
  • Norm. En. per Res.: -2.6243
• 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	-75.6303	23.0092	-378.518	-431.1391	206	29	9	16055	1	84	71
A-C	-10.9358	-5.7719	-83.3044	-100.0121	41	35	0	3829	3	11	8
B-D	-39.7345	-5.7298	-67.3794	-112.8436	43	9	0	3109	3	11	9

Interface residues

• A-B: ALA436A, ALA436B, ALA457A, ALA457B, ALA620A, ALA620B, ALA682A, ALA682B, ALA690A, ALA690B, ALA692A, ALA692B, ALA693A, ALA693B, ALA694A, ALA694B, ARG370A, ARG370B, ARG373A, ARG373B, ARG374A, ARG374B, ARG377A, ARG377B, ARG430A, ARG430B, ARG521A, ARG521B, ARG638A, ARG688A, ARG688B, ASN647A, ASN647B, ASN676A, ASN676B, ASP614A, ASP614B, ASP672B, CYS681A, CYS681B, GLN335A, GLN335B, GLU383A, GLU383B, GLU386A, GLU386B, GLU408A, GLU408B, GLU427A, GLU427B, GLU486A, GLU486B, GLU524A, GLU524B, GLU599B, GLU615A, GLU615B, GLU705A, GLU705B, GLY381A, GLY381B, GLY487A, GLY487B, GLY596B, GLY617A, GLY617B, GLY670A, GLY670B, GLY671B, GLY683A, GLY683B, GLY701A, GLY701B, HIS453A, HIS453B, HIS482A, HIS616A, HIS616B, ILE379A, ILE379B, ILE388A, ILE388B, ILE415A, ILE415B, ILE485A, ILE485B, ILE618A, ILE618B, ILE666A, ILE666B, LEU353A, LEU353B, LEU375A, LEU375B, LEU483A, LEU483B, LEU642A, LEU642B, LEU675A, LEU675B, LEU678A, LEU678B, LYS336A, LYS336B, LYS380A, LYS380B, LYS431A, LYS431B, LYS435A, LYS435B, LYS456A, LYS456B, LYS489A, LYS489B, LYS528A, LYS528B, LYS619A, LYS619B, LYS680A, LYS680B, LYS685A, LYS685B, LYS686A, LYS686B, MET668A, MET668B, PHE385A, PHE385B, PHE390A, PHE390B, PHE438A, PHE687A, PHE687B, PHE695A, PHE695B, PHE702A, PRO369A, PRO369B, PRO488A, PRO689A, PRO689B, PRO691A, PRO691B, SER337A, SER371A, SER371B, SER376A, SER376B, SER433A, SER433B, SER452A, SER452B, SER517A, SER517B, SER645A, SER645B, SER669A, SER669B, SER679A, SER679B, SER684A, SER684B, THR368A, THR368B, THR378A, THR378B, THR389A, THR389B, THR458A, THR458B, THR484A, THR484B, THR600B, THR613A, THR613B, TYR384A, TYR384B, TYR429A, TYR429B, TYR437A, TYR437B, TYR525A, TYR525B, TYR667A, TYR667B, TYR703A, TYR703B, VAL372A, VAL372B, VAL382A, VAL382B, VAL406B, VAL426A, VAL426B, VAL454A, VAL454B, VAL490A, VAL490B, VAL612A, VAL643A, VAL643B, VAL644A, VAL644B, VAL646A, VAL646B, VAL677B
• A-C: ALA360A, ARG325A, ARG327A, ARG445A, ARG741C, ASN359A, ASN362A, ASN737A, ASP721A, CYS358A, GLU328A, GLU363A, GLU404A, GLU443A, GLU740C, GLY283C, GLY326A, GLY716A, GLY739C, HIS725A, HIS736A, ILE301A, ILE321A, ILE717A, LEU323A, LEU719A, LYS322A, PHE285A, PHE727A, PRO324A, SER284A, SER720A, SER738C, THR361A, THR441A, THR718A, TYR281C, TYR714A, TYR715A, VAL282C, VAL735A
• B-D: ALA360B, ARG325B, ARG327B, ARG401B, ARG445B, ARG741D, ASN359B, ASN362B, ASN737B, ASP721B, CYS358B, GLU328B, GLU363B, GLU404B, GLU443B, GLU740D, GLY283D, GLY326B, GLY716B, GLY739D, HIS725B, HIS736B, ILE301B, ILE402B, ILE442B, ILE717B, LEU323B, LEU719B, LYS322B, PHE285B, PHE727B, PRO324B, SER284B, SER738D, THR361B, THR441B, THR718B, TYR281D, TYR714B, TYR715B, VAL282D, VAL403B, VAL735B