3SIQ

crystal structure of autoinhibited diap1-bir1 domain

• Total interactions analyzed: 15
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 46
  • Norm. En. per Res.: -1.8905
• Hub Node: A(1)

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	0.0	6.3986	-81.6843	-75.2857	46	4	1	3608	0	9	16
C-D	-18.2138	3.8703	-46.2286	-60.5721	44	3	1	2710	0	7	17
E-F	0.0	-4.063	-82.9006	-86.9637	46	4	1	3429	0	7	17

Interface residues

• A-B: ALA124B, ALA2A, ARG102A, ARG102B, ARG111B, ARG112B, ARG127B, ASN106A, ASP126B, ASP76A, ASP94A, ASP94B, GLN101A, GLN101B, GLN63B, GLN92A, GLN92B, GLN95B, GLU91A, GLU93A, GLU93B, GLU99A, GLU99B, GLY88A, HIS100A, ILE128B, ILE14A, LEU110B, LEU125B, LEU129B, LYS77A, PRO105A, PRO130B, PRO131B, PRO13A, PRO96B, PRO98B, SER104A, SER3A, SER89A, TRP103A, TRP90A, VAL4A, VAL5A, VAL85A, VAL97B
• C-D: ALA124D, ALA2C, ALA2D, ARG102C, ARG102D, ARG111D, ARG112D, ARG127D, ASP126D, ASP94C, ASP94D, GLN101D, GLN63D, GLN92D, GLN95D, GLU123D, GLU91C, GLU91D, GLU93C, GLU93D, GLU99C, GLU99D, GLY88C, HIS100D, ILE128D, ILE14C, LEU110D, LEU125D, LEU129D, PRO105C, PRO105D, PRO130D, PRO13C, PRO96D, PRO98D, SER104C, SER3C, SER89C, TRP103C, TRP90C, VAL4C, VAL5C, VAL85C, VAL97D
• E-F: ALA124F, ALA2E, ARG102E, ARG102F, ARG111F, ARG112F, ARG127F, ASN106E, ASP126F, ASP76E, ASP94E, ASP94F, GLN101E, GLN101F, GLN63F, GLN66F, GLN92F, GLN95F, GLU123F, GLU91E, GLU93E, GLU93F, GLU99E, GLU99F, GLY88E, HIS100E, ILE128F, ILE14E, LEU110F, LEU125F, LEU129F, PRO105E, PRO105F, PRO130F, PRO131F, PRO13E, PRO96F, PRO98F, SER104E, SER3E, SER89E, TRP103E, VAL4E, VAL5E, VAL85E, VAL97F