3PUJ

crystal structure of the munc18-1 and syntaxin4 n-peptide complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 53
  • Norm. En. per Res.: -4.3031
• 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-C	-54.8114	-51.98	-121.274	-228.0655	53	23	5	5784	2	20	28
A-B	-8.14	0.0	-280.332	-288.472	136	13	8	13012	0	32	35
B-D	-28.7333	-59.964	-145.254	-233.9513	56	9	4	5915	2	19	25

Interface residues

• A-C: ALA123A, ALA124A, ALA181A, ARG2C, ARG4C, ARG9C, ASN116A, ASN134A, ASP108A, ASP112A, ASP17A, ASP215A, ASP216A, ASP3C, CYS110A, GLN10C, GLU117A, GLU132A, GLU7C, HIS6C, ILE127A, ILE133A, ILE135A, ILE14A, ILE88A, LEU114A, LEU118A, LEU130A, LEU87A, LEU8C, LYS120A, LYS125A, LYS128A, LYS13A, LYS21A, PHE105A, PHE106A, PHE115A, PRO111A, PRO79A, SER109A, SER121A, THR107A, THR129A, THR131A, THR178A, THR182A, THR5C, TYR212A, VAL104A, VAL119A, VAL126A, VAL18A
• A-B: ALA297A, ALA297B, ALA351A, ALA351B, ARG305A, ARG305B, ARG315B, ARG325A, ARG325B, ASP309A, ASP309B, ASP326A, ASP326B, ASP353A, ASP353B, ASP363A, ASP363B, CYS354A, CYS354B, GLN301A, GLN301B, GLN329A, GLN336A, GLN336B, GLN338A, GLN338B, GLN359A, GLN359B, GLN474A, GLN474B, GLU267B, GLU298A, GLU298B, GLU302A, GLU340A, GLU340B, GLU352A, GLU352B, HIS295A, HIS295B, HIS347A, HIS347B, HIS349A, HIS349B, HIS357A, HIS357B, ILE296A, ILE296B, LEU247A, LEU307A, LEU307B, LEU327A, LEU327B, LEU331A, LEU331B, LEU341A, LEU341B, LEU348A, LEU348B, LEU350A, LEU350B, LEU475A, LEU475B, LYS277A, LYS277B, LYS308A, LYS308B, LYS314A, LYS314B, LYS332A, LYS332B, LYS333A, LYS333B, LYS339A, LYS339B, LYS343A, LYS343B, LYS356A, LYS356B, MET252A, MET324A, MET324B, MET330A, MET330B, MET334A, MET334B, MET355A, MET355B, PHE249A, PHE249B, PHE310A, PHE310B, PRO335A, PRO335B, SER300A, SER300B, SER306A, SER306B, SER311A, SER311B, SER312A, SER312B, SER313A, SER313B, SER328A, SER328B, SER342A, SER342B, SER345A, SER345B, SER476A, THR268A, THR268B, THR304A, THR304B, THR322B, THR323B, THR346A, THR346B, THR472A, TYR266A, TYR266B, TYR337A, TYR337B, TYR344A, TYR344B, TYR358A, TYR358B, TYR473A, TYR473B, VAL276A, VAL276B, VAL299A, VAL299B, VAL303A, VAL303B
• B-D: ALA101B, ALA102B, ALA123B, ALA124B, ALA181B, ALA211B, ARG2D, ARG4D, ARG9D, ASN116B, ASN134B, ASP108B, ASP112B, ASP17B, ASP215B, ASP216B, ASP3D, CYS110B, GLN10D, GLU117B, GLU132B, GLU7D, HIS16B, HIS6D, ILE127B, ILE133B, ILE135B, LEU114B, LEU118B, LEU130B, LEU87B, LEU8D, LYS120B, LYS125B, LYS128B, LYS13B, LYS184B, LYS21B, MET1D, MET219B, PHE105B, PHE106B, PHE115B, PRO111B, PRO79B, SER109B, SER121B, THR129B, THR131B, THR182B, THR5D, TYR212B, VAL104B, VAL119B, VAL126B, VAL18B