1THN

crystal structures of the adp and atp bound forms of the bacillus anti-sigma factor spoiiab in complex with the anti-anti-sigma spoiiaa: inhibitory complex with adp, crystal form i

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 92
  • Norm. En. per Res.: -4.3768
• 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	-45.0256	-135.9177	-202.94	-383.8833	90	12	0	8475	9	38	39
A-C	-102.0608	7.6661	-227.735	-322.1297	77	20	7	8558	0	13	16
C-D	-35.5945	-142.8561	-224.212	-402.6626	92	12	0	8937	10	35	41

Interface residues

• A-B: ALA27B, ALA47A, ALA86B, ARG105A, ARG12A, ARG20A, ARG31B, ARG67B, ARG89B, ASN115A, ASN15A, ASN50A, ASN58A, ASP23B, ASP35A, ASP57B, ASP92B, GLN70B, GLU102A, GLU104A, GLU114A, GLU14A, GLU16A, GLU21B, GLU28B, GLU36A, GLU39A, GLU46A, GLY107A, GLY109A, GLY20B, GLY60B, GLY62B, GLY66B, GLY95B, HIS24B, HIS25B, ILE112A, ILE40A, ILE52A, ILE53A, ILE64B, LEU103A, LEU22B, LEU37A, LEU61B, LEU65B, LEU90B, LEU96A, LEU96B, LYS100A, LYS136A, LYS41A, LYS69B, LYS98B, MET108A, MET113A, MET117A, MET34A, MET56B, MET93B, PHE110A, PHE116A, PHE18A, PHE55B, PHE91B, PRO101A, PRO85B, PRO95A, SER106A, SER13A, SER17A, SER2B, SER45A, SER58B, SER59B, SER84B, SER94B, THR111A, THR26B, THR35B, THR38A, THR42A, THR49A, THR54B, VAL21A, VAL43A, VAL44A, VAL63B, VAL87B
• A-C: ALA11A, ALA11C, ALA19A, ALA19C, ALA24A, ALA24C, ALA25A, ALA25C, ALA28A, ALA28C, ARG12A, ARG12C, ARG20C, ARG2A, ARG2A5, ARG2C, ASN15A, ASN15C, ASN3A, ASN3C, ASN61A, ASN61C, CB8.844034.50697, GLN29A, GLN29C, GLN8A, GLN8C, GLU14A, GLU14C, GLU16A, GLU4A, GLU4C, GLU71C, GLY62A, GLY62C, HIS6A, HIS6C, ILE63A, ILE63C, ILE66A, ILE66C, ILE69A, ILE69C, ILE70A, ILE70C, LEU7A, LEU7C, MET5A, MET5C, PHE18A, PHE18C, PHE26A, PHE26C, PHE9A, PHE9C, PRO60A, PRO60C, SER10A, SER10C, SER13A, SER17A, SER65A, SER65C, SER67A, SER67C, THR22A, THR22C, VAL21A, VAL21C, VAL23A, VAL23C, VAL27A, VAL27C, VAL64A, VAL64C, VAL68A, VAL68C
• C-D: ALA27D, ALA86D, ARG105C, ARG12C, ARG20C, ARG31D, ARG67D, ARG89D, ASN115C, ASN15C, ASN50C, ASN58C, ASP23D, ASP35C, ASP57D, ASP92D, GLN70D, GLU102C, GLU104C, GLU114C, GLU14C, GLU16C, GLU21D, GLU28D, GLU36C, GLU39C, GLU46C, GLY107C, GLY109C, GLY60D, GLY62D, GLY66D, GLY95D, HIS24D, HIS25D, HIS54C, ILE112C, ILE40C, ILE52C, ILE53C, ILE64D, ILE99D, LEU103C, LEU22D, LEU37C, LEU3D, LEU61D, LEU65D, LEU90D, LEU96C, LEU96D, LYS100C, LYS136C, LYS41C, LYS69D, MET108C, MET113C, MET117C, MET56D, MET93D, PHE110C, PHE116C, PHE18C, PHE55D, PHE91D, PRO101C, PRO85D, PRO95C, SER106C, SER13C, SER17C, SER2D, SER45C, SER58D, SER59D, SER84D, SER94D, THR111C, THR26D, THR35D, THR38C, THR42C, THR49C, THR54D, THR98C, TYR68D, VAL21C, VAL43C, VAL44C, VAL48C, VAL63D, VAL87D