3HEJ

crystal structure of staphylococcal nuclease variant delta+phs t62r at cryogenic temperature

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 118
  • Norm. En. per Res.: -4.713
• 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-D	-134.9447	-24.4845	-396.705	-556.1341	118	22	12	14978	0	40	40
A-C	0.0	0.0	-2.0868	-2.0868	21	0	0	339	0	6	13
D-B	-20.2734	-5.4189	-58.9473	-84.6397	39	1	0	2561	0	13	21
B-C	-136.7653	-21.9122	-401.868	-560.5455	119	11	12	15091	0	40	39

Interface residues

• A-D: ALA12A, ALA12D, ALA1D, ALA69A, ALA69D, ALA90A, ALA90D, ARG62A, ARG62D, ARG81A, ARG81D, ASN118A, ASN118D, ASN119A, ASN119D, ASN68A, ASN68D, ASP77A, ASP77D, ASP95A, ASP95D, GLN30A, GLN30D, GLU10A, GLU10D, GLU67A, GLU67D, GLU73A, GLU73D, GLU75A, GLU75D, GLY117A, GLY117D, GLY29A, GLY29D, GLY79A, GLY79D, GLY96A, GLY96D, HIS121A, HIS121D, HIS8A, HIS8D, ILE15A, ILE15D, ILE72A, ILE72D, ILE92A, ILE92D, LEU14A, LEU14D, LEU25A, LEU25D, LEU37A, LEU37D, LEU38A, LEU7A, LEU7D, LYS16A, LYS16D, LYS24A, LYS24D, LYS28A, LYS28D, LYS5A, LYS5D, LYS63A, LYS63D, LYS6A, LYS6D, LYS70A, LYS70D, LYS71A, LYS71D, LYS78A, LYS78D, LYS97A, LYS97D, LYS9A, LYS9D, MET26A, MET26D, MET32A, MET32D, MET65A, MET65D, MET98A, MET98D, PHE34A, PHE34D, PHE76A, PHE76D, PRO11A, PRO11D, PRO31A, PRO31D, SER3A, SER3D, THR120A, THR120D, THR13A, THR13D, THR33A, THR33D, THR4A, THR4D, TYR27A, TYR27D, TYR91A, TYR91D, TYR93A, TYR93D, VAL23A, VAL23D, VAL66A, VAL66D, VAL74A, VAL74D
• A-C: ARG105A, ARG81C, ASN138A, ASN68A, ASP83C, GLN106A, GLN30C, GLN80C, GLU135A, GLY86C, LEU137A, LYS116C, LYS134A, LYS136A, LYS64A, LYS84C, MET32C, PHE61A, SER141A, THR82C, TYR85C
• D-B: ALA102D, ALA128D, ALA132D, ALA60D, ARG105D, ARG81B, ARG87B, ASN118B, ASN119B, ASN138D, ASN68D, ASP83B, GLN106D, GLN131D, GLN80B, GLU135D, GLU57D, GLY117B, GLY79B, GLY86B, LEU108D, LEU137D, LEU89B, LYS116B, LYS127D, LYS134D, LYS136D, LYS64D, LYS78B, LYS84B, LYS97D, PHE61D, PRO56D, THR82B, TYR113B, TYR115B, TYR54D, TYR85B, VAL114B
• B-C: ALA12B, ALA12C, ALA1C, ALA69B, ALA69C, ALA90B, ALA90C, ALA94C, ARG62B, ARG62C, ARG81B, ARG81C, ASN118B, ASN118C, ASN119B, ASN119C, ASN68B, ASN68C, ASP77B, ASP77C, ASP95B, ASP95C, GLN30B, GLN30C, GLU10B, GLU10C, GLU67B, GLU67C, GLU73B, GLU73C, GLU75B, GLU75C, GLY117B, GLY117C, GLY29B, GLY29C, GLY79B, GLY79C, GLY96B, GLY96C, HIS121B, HIS121C, HIS8B, HIS8C, ILE15B, ILE15C, ILE72B, ILE72C, ILE92B, ILE92C, LEU14B, LEU14C, LEU25B, LEU25C, LEU37B, LEU37C, LEU38B, LEU7B, LEU7C, LYS16B, LYS16C, LYS24B, LYS24C, LYS28B, LYS28C, LYS5B, LYS5C, LYS63B, LYS63C, LYS6B, LYS6C, LYS70B, LYS70C, LYS71B, LYS71C, LYS78B, LYS78C, LYS97B, LYS97C, LYS9B, LYS9C, MET26B, MET26C, MET32B, MET32C, MET65B, MET65C, MET98B, MET98C, PHE34B, PHE34C, PHE76B, PHE76C, PRO11B, PRO11C, PRO31B, PRO31C, SER3B, SER3C, THR120B, THR120C, THR13B, THR13C, THR33B, THR33C, THR4B, THR4C, TYR27B, TYR27C, TYR91B, TYR91C, TYR93B, TYR93C, VAL23B, VAL23C, VAL66B, VAL66C, VAL74B, VAL74C