3T06

crystal structure of the dh/ph fragment of pdzrhogef with n-terminal regulatory elements in complex with human rhoa

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 169
  • Norm. En. per Res.: -3.5651
• 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	-52.7972	-149.3693	-354.745	-556.9114	169	27	5	15853	8	53	60
A-E	-24.3963	55.0701	-95.7812	-65.1074	72	7	0	4547	1	57	54
E-F	-66.6369	-155.3218	-380.538	-602.4966	169	14	8	15939	9	58	61

Interface residues

• A-B: ALA15B, ALA3B, ALA44B, ALA56B, ALA61B, ALA830A, ALA923A, ARG1041A, ARG150B, ARG5B, ARG68B, ARG70B, ARG735A, ARG751A, ARG867A, ARG868A, ARG872A, ARG881A, ARG910A, ARG914A, ARG930A, ARG932A, ASN1068A, ASN41B, ASN715A, ASN740A, ASN921A, ASN929A, ASN94B, ASP1066A, ASP45B, ASP59B, ASP65B, ASP67B, ASP734A, ASP76B, ASP873A, CYS833A, CYS866A, CYS913A, GLN29B, GLN63B, GLN714A, GLN717A, GLN730A, GLN736A, GLN836A, GLN870A, GLN880A, GLN926A, GLU102B, GLU1072A, GLU32B, GLU40B, GLU54B, GLU64B, GLU737A, GLU741A, GLU746A, GLU841A, GLU861A, GLU890A, GLU915A, GLU922A, GLU928A, GLU93B, GLU969A, GLU97B, GLY14B, GLY62B, GLY970A, HIS105B, HIS718A, HIS749A, HIS895A, HIS931A, HIS968A, HIS985A, ILE151B, ILE23B, ILE46B, ILE733A, ILE739A, ILE838A, ILE875A, ILE876A, ILE892A, ILE916A, ILE95B, ILE967A, LEU1062A, LEU1073A, LEU22B, LEU55B, LEU57B, LEU69B, LEU72B, LEU742A, LEU750A, LEU840A, LEU869A, LEU871A, LEU874A, LEU882A, LEU887A, LEU888A, LEU889A, LEU917A, LYS1040A, LYS104B, LYS1067A, LYS18B, LYS27B, LYS7B, LYS844A, LYS884A, LYS894A, LYS918A, LYS925A, LYS98B, MET879A, MET966A, PHE106B, PHE39B, PRO101B, PRO36B, PRO71B, PRO75B, PRO886A, PRO96B, PRO971A, SER1064A, SER1065A, SER73B, SER748A, SER834A, SER837A, SER877A, SER891A, THR100B, THR1063A, THR1069A, THR19B, THR37B, THR60B, THR745A, THR752A, THR883A, THR927A, TRP58B, TRP716A, TRP99B, TYR34B, TYR42B, TYR66B, TYR74B, TYR835A, TYR885A, TYR919A, VAL33B, VAL35B, VAL38B, VAL43B, VAL53B, VAL738A, VAL744A, VAL920A, VAL924A, VAL9B
• A-E: ALA942A, ALA942E, ALA944A, ARG772A, ARG772E, ARG777A, ARG777E, ARG848A, ARG852A, ARG852E, ARG939E, ARG947A, ARG947E, ASN768A, ASN768E, ASP1000A, ASP1000E, ASP941A, ASP941E, GLN854A, GLN854E, GLN937E, GLN997A, GLN999A, GLN999E, GLU1001A, GLU1001E, GLU767A, GLU767E, GLU773A, GLU773E, GLU774A, GLU774E, GLU850A, GLU850E, GLU946A, GLU946E, LEU1003E, LEU1004A, LEU1004E, LEU769A, LEU769E, LEU855A, LEU940E, LEU945A, LEU982A, LYS1002A, LYS1002E, LYS1006A, LYS1006E, LYS765A, LYS765E, LYS766A, LYS766E, LYS846A, LYS846E, LYS849A, LYS849E, LYS938A, LYS938E, LYS980A, MET770A, MET770E, PHE853A, PHE853E, PRO771A, PRO771E, SER851A, SER851E, THR943A, THR943E, TYR936E
• E-F: ALA15F, ALA3F, ALA44F, ALA56F, ALA61F, ALA747E, ALA830E, ALA923E, ARG1041E, ARG150F, ARG5F, ARG68F, ARG70F, ARG735E, ARG751E, ARG867E, ARG868E, ARG872E, ARG881E, ARG914E, ARG930E, ARG932E, ASN1068E, ASN41F, ASN715E, ASN740E, ASN921E, ASN929E, ASN94F, ASP1066E, ASP45F, ASP59F, ASP65F, ASP67F, ASP734E, ASP76F, ASP873E, CYS833E, CYS866E, CYS913E, GLN63F, GLN714E, GLN717E, GLN730E, GLN736E, GLN836E, GLN870E, GLN880E, GLN926E, GLU102F, GLU32F, GLU40F, GLU54F, GLU64F, GLU737E, GLU741E, GLU746E, GLU841E, GLU861E, GLU890E, GLU915E, GLU922E, GLU928E, GLU93F, GLU969E, GLU97F, GLY14F, GLY62F, GLY970E, HIS105F, HIS718E, HIS749E, HIS895E, HIS968E, HIS985E, ILE23F, ILE46F, ILE4F, ILE733E, ILE739E, ILE838E, ILE875E, ILE876E, ILE892E, ILE916E, ILE95F, ILE967E, LEU1062E, LEU1073E, LEU22F, LEU55F, LEU57F, LEU69F, LEU72F, LEU742E, LEU750E, LEU840E, LEU869E, LEU871E, LEU874E, LEU882E, LEU887E, LEU888E, LEU889E, LEU917E, LYS1040E, LYS104F, LYS1067E, LYS18F, LYS27F, LYS7F, LYS844E, LYS884E, LYS894E, LYS918E, LYS925E, LYS98F, LYS998E, MET879E, MET966E, PHE106F, PHE39F, PRO101F, PRO31F, PRO36F, PRO71F, PRO75F, PRO886E, PRO96F, PRO971E, SER1064E, SER1065E, SER73F, SER748E, SER834E, SER837E, SER877E, SER891E, THR100F, THR1063E, THR1069E, THR19F, THR37F, THR60F, THR745E, THR752E, THR883E, THR927E, TRP58F, TRP716E, TRP99F, TYR34F, TYR42F, TYR66F, TYR74F, TYR835E, TYR885E, TYR919E, TYR936E, VAL33F, VAL35F, VAL38F, VAL43F, VAL53F, VAL738E, VAL744E, VAL920E, VAL924E, VAL9F