3K3C

the n-terminal pas domain crystal structure of rv1364c from mycobacterium tuberculosis at 1.62

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 122
  • Norm. En. per Res.: -5.4862
• Hub Node: A(3)

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	-54.4096	-47.921	-510.997	-613.3276	123	14	23	21093	2	73	71
A-C	0.0	-12.7099	-157.067	-169.7769	87	0	11	7355	0	37	47
A-D	-20.8273	-3.1424	-153.032	-177.0017	84	4	2	6616	0	33	33
B-C	-22.9346	-3.6814	-155.266	-181.882	84	3	2	6612	0	33	33
B-D	0.0	-13.5025	-156.948	-170.4505	85	0	11	7447	0	37	47
C-D	-73.228	-64.1705	-531.915	-669.3135	122	24	22	21868	4	63	66

Interface residues

• A-B: ALA116A, ALA116B, ALA13A, ALA13B, ALA14A, ALA14B, ALA26A, ALA26B, ALA40A, ALA40B, ALA43A, ALA43B, ARG113A, ARG113B, ARG114A, ARG114B, ARG115A, ARG115B, ARG133A, ARG133B, ARG18A, ARG18B, ARG19A, ARG19B, ARG37A, ARG46A, ARG46B, ASN42A, ASN42B, ASP128A, ASP128B, ASP16A, ASP16B, ASP53A, ASP53B, ASP6A, ASP6B, ASP8A, ASP8B, GLN124A, GLN124B, GLN85A, GLN85B, GLU121A, GLU121B, GLU15A, GLU15B, GLU22A, GLU22B, GLU32A, GLU32B, GLY122A, GLY12A, GLY12B, GLY30A, GLY30B, GLY56A, GLY56B, HIS23A, HIS23B, ILE126A, ILE126B, ILE20A, ILE20B, ILE24A, ILE24B, ILE27A, ILE27B, LEU125A, LEU125B, LEU28A, LEU28B, LEU31A, LEU31B, LEU52A, LEU52B, LYS9A, LYS9B, MET5A, MET5B, PHE108A, PHE108B, PHE21A, PHE21B, PHE38A, PHE38B, PRO112A, PRO112B, PRO25A, PRO25B, PRO84A, PRO84B, SER86A, SER86B, THR10A, THR10B, THR111A, THR111B, THR54A, THR54B, TRP7A, TRP7B, TYR45B, VAL109A, VAL109B, VAL110A, VAL110B, VAL11A, VAL11B, VAL123A, VAL123B, VAL127A, VAL127B, VAL17A, VAL17B, VAL29A, VAL29B, VAL39A, VAL39B, VAL41A, VAL41B, VAL55A, VAL55B
• A-C: ALA136A, ALA136C, ALA139A, ALA139C, ALA140A, ALA140C, ALA142C, ALA26A, ALA26C, ALA43A, ALA43C, ALA44A, ALA44C, ARG104A, ARG104C, ARG133A, ARG133C, ARG135A, ARG135C, ARG137A, ARG137C, ARG143A, ARG143C, ARG150A, ARG150C, ARG152C, ARG19A, ARG46A, ARG46C, ASN42A, ASN42C, ASP128A, ASP128C, ASP129A, ASP129C, GLN138A, GLN138C, GLU141A, GLU141C, GLU145A, GLU145C, GLU146A, GLU146C, GLU149A, GLU149C, GLU22A, GLU22C, GLY47A, GLY47C, HIS23A, HIS23C, ILE126A, ILE20A, ILE20C, ILE24A, ILE24C, ILE27A, ILE27C, LEU147A, LEU147C, PHE21A, PHE21C, PHE48A, PHE48C, PRO25A, PRO25C, PRO50A, PRO50C, SER132A, SER132C, SER148A, SER148C, SER49A, SER49C, THR131A, THR131C, TYR151C, TYR45A, TYR45C, VAL127A, VAL127C, VAL130A, VAL130C, VAL134A, VAL134C, VAL144A, VAL144C
• A-D: ALA116A, ALA140D, ALA142A, ALA142D, ALA2A, ALA3A, ARG113A, ARG113D, ARG114A, ARG114D, ARG115A, ARG133D, ARG137A, ARG137D, ARG150A, ARG150D, ARG152D, ASN153D, ASP107A, ASP107D, ASP117A, ASP6A, GLN124A, GLN124D, GLN138A, GLN138D, GLN85A, GLN85D, GLU141A, GLU141D, GLU145A, GLU145D, GLU146A, GLU146D, GLU149A, GLU149D, GLU4A, GLU83A, GLU83D, GLU89A, GLU89D, GLY118A, GLY82A, GLY82D, GLY87A, GLY87D, ILE120D, ILE126A, ILE126D, LEU147A, LEU147D, MET1A, MET5A, MET5D, PHE108A, PHE108D, PRO112A, PRO112D, PRO84A, PRO84D, SER119A, SER148A, SER148D, SER86A, SER86D, SER88A, SER88D, THR10A, THR111A, THR111D, TRP7A, TRP90A, TYR151D, VAL109A, VAL109D, VAL110A, VAL110D, VAL134A, VAL134D, VAL144A, VAL144D, VAL154D, VAL78A, VAL78D
• B-C: ALA116B, ALA140C, ALA142B, ALA142C, ALA2B, ALA3B, ARG113B, ARG113C, ARG114B, ARG114C, ARG115B, ARG133C, ARG137B, ARG137C, ARG150B, ARG150C, ARG152C, ASN153C, ASP107B, ASP107C, ASP117B, ASP6B, GLN124B, GLN124C, GLN138B, GLN138C, GLN85B, GLN85C, GLU141B, GLU141C, GLU145B, GLU145C, GLU146B, GLU146C, GLU149B, GLU149C, GLU4B, GLU83B, GLU83C, GLU89B, GLU89C, GLY118B, GLY82B, GLY82C, GLY87B, GLY87C, ILE120B, ILE126B, ILE126C, LEU147B, LEU147C, MET1B, MET5B, MET5C, PHE108B, PHE108C, PRO112B, PRO112C, PRO84B, PRO84C, SER119B, SER148B, SER148C, SER86B, SER86C, SER88B, SER88C, THR10B, THR111B, THR111C, TRP7B, TRP90B, TYR151C, VAL109B, VAL109C, VAL110B, VAL110C, VAL134B, VAL134C, VAL144B, VAL144C, VAL154C, VAL78B, VAL78C
• B-D: ALA136B, ALA136D, ALA139B, ALA139D, ALA140B, ALA140D, ALA142D, ALA26B, ALA26D, ALA43B, ALA43D, ALA44B, ALA44D, ARG104B, ARG104D, ARG133B, ARG133D, ARG135B, ARG135D, ARG137B, ARG137D, ARG143B, ARG143D, ARG150B, ARG150D, ARG152D, ARG46B, ARG46D, ASN42B, ASN42D, ASP128B, ASP128D, ASP129B, ASP129D, GLN138D, GLU141B, GLU141D, GLU145B, GLU145D, GLU146B, GLU146D, GLU149B, GLU149D, GLU22B, GLU22D, GLY47B, GLY47D, HIS23B, HIS23D, ILE126B, ILE20B, ILE20D, ILE24B, ILE24D, ILE27B, ILE27D, LEU147B, LEU147D, PHE21B, PHE21D, PHE48B, PHE48D, PRO25B, PRO25D, PRO50B, PRO50D, SER132B, SER132D, SER148B, SER148D, SER49B, SER49D, THR131B, THR131D, TYR151D, TYR45B, TYR45D, VAL127B, VAL127D, VAL130B, VAL130D, VAL134B, VAL134D, VAL144B, VAL144D
• C-D: ALA13C, ALA13D, ALA14C, ALA14D, ALA26C, ALA26D, ALA40C, ALA40D, ALA43C, ALA43D, ARG113C, ARG113D, ARG114C, ARG114D, ARG115C, ARG115D, ARG18C, ARG18D, ARG19C, ARG19D, ARG37C, ARG37D, ARG46C, ARG46D, ASN42C, ASN42D, ASP128C, ASP128D, ASP16C, ASP16D, ASP53C, ASP53D, ASP6C, ASP6D, ASP8C, ASP8D, GLN124C, GLN124D, GLN85C, GLN85D, GLU121C, GLU121D, GLU15C, GLU15D, GLU22C, GLU22D, GLU32C, GLU32D, GLY122C, GLY122D, GLY12C, GLY12D, GLY30C, GLY30D, GLY56C, GLY56D, HIS23C, HIS23D, ILE126C, ILE126D, ILE20C, ILE20D, ILE24C, ILE24D, ILE27C, ILE27D, LEU125C, LEU125D, LEU28C, LEU28D, LEU31C, LEU31D, LEU52C, LEU52D, LYS9C, LYS9D, MET5C, MET5D, PHE108C, PHE108D, PHE21C, PHE21D, PHE38C, PHE38D, PRO112C, PRO112D, PRO25C, PRO25D, PRO84C, PRO84D, SER86C, SER86D, THR10C, THR10D, THR111C, THR111D, THR54C, THR54D, TRP7C, TRP7D, TYR45C, TYR45D, VAL109C, VAL109D, VAL110C, VAL110D, VAL11C, VAL11D, VAL123C, VAL123D, VAL127C, VAL127D, VAL17C, VAL17D, VAL29C, VAL29D, VAL39C, VAL39D, VAL41C, VAL41D, VAL55C, VAL55D