1BOU

three-dimensional structure of ligab

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 94
  • Norm. En. per Res.: -5.7908
• 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	-112.0677	-98.58	-646.333	-856.9807	178	25	17	24745	7	36	23
A-D	0.0	-30.7291	-81.5747	-112.3038	45	4	3	3569	2	10	5
B-C	0.0	-36.2286	-81.0639	-117.2925	45	2	3	3451	2	10	7
B-D	-112.3499	-92.0021	-339.986	-544.3379	94	18	3	12439	8	18	13
C-D	-99.2792	-103.4735	-633.477	-836.2297	177	30	15	24237	8	36	24

Interface residues

• A-B: ALA106A, ALA107A, ALA119A, ALA12A, ALA130A, ALA15A, ALA15B, ALA18B, ALA202B, ALA268B, ALA272B, ALA28A, ALA31A, ALA41A, ALA47A, ALA62B, ALA64B, ALA84B, ARG127A, ARG133A, ARG201B, ARG234B, ARG24A, ARG30A, ARG32A, ARG50A, ASN153B, ASN206B, ASN270B, ASN36A, ASN38A, ASN59B, ASN68B, ASN80A, ASN88A, ASP124A, ASP124B, ASP126B, ASP18A, ASP19A, ASP28B, ASP60B, ASP66B, ASP85B, ASP99A, GLN104A, GLN120A, GLN196B, GLN198B, GLN231B, GLN29A, GLN39A, GLU16A, GLU208B, GLU235B, GLU239B, GLU242B, GLU48A, GLU86B, GLY100A, GLY108A, GLY112A, GLY125A, GLY126A, GLY131A, GLY137A, GLY138A, GLY191B, GLY192B, GLY199B, GLY203B, GLY22A, GLY237B, GLY240B, GLY296B, GLY34A, GLY86A, GLY87A, GLY87B, GLY89B, HIS127B, HIS12B, HIS195B, HIS229B, HIS265B, HIS297B, HIS61B, ILE123A, ILE135A, ILE13B, ILE205B, ILE20A, ILE230B, ILE266B, ILE69B, ILE70B, ILE83A, LEU14A, LEU197B, LEU204B, LEU233B, LEU299B, LEU37A, LEU44A, LEU92A, LEU95A, LYS101A, LYS136A, LYS207B, LYS33A, LYS46A, LYS54A, LYS94A, MET110A, MET113A, MET121A, MET122A, MET42A, MET45A, MET67B, PHE103A, PHE105A, PHE17A, PHE209B, PHE26A, PHE40A, PHE65B, PHE91A, PHE96A, PRO129A, PRO14B, PRO158B, PRO159B, PRO160B, PRO200B, PRO21A, PRO228B, PRO267B, PRO90B, SER102A, SER109A, SER128A, SER134A, SER161B, SER194B, SER236B, SER238B, SER269B, SER298B, SER43A, SER63B, SER93A, SER97A, THR111A, THR156B, THR23A, THR271B, THR27A, THR98A, TRP30B, TRP64A, TRP88B, TYR118A, TYR139A, TYR13A, TYR157B, TYR232B, TYR29B, TYR35A, TYR79A, TYR90A, VAL10A, VAL132A, VAL154B, VAL155B, VAL241B, VAL25A, VAL89A
• A-D: ALA103D, ALA107D, ALA12A, ALA174D, ALA175D, ALA28A, ALA31A, ALA78D, ARG32A, ASN121D, ASP101D, ASP113D, ASP9A, CYS77D, GLN108D, GLN122D, GLN29A, GLN39A, GLU177D, GLU181D, GLU79D, HIS105D, HIS11A, HIS99D, ILE106D, ILE111D, ILE119D, ILE8A, LEU102D, LEU110D, LEU112D, LEU14A, MET120D, PHE179D, PHE17A, PHE26A, PRO100D, PRO180D, SER109D, SER178D, THR27A, TRP104D, TYR13A, TYR35A, VAL10A
• B-C: ALA103B, ALA107B, ALA12C, ALA174B, ALA175B, ALA28C, ALA31C, ALA78B, ARG32C, ASN121B, ASP101B, ASP113B, ASP9C, CYS77B, GLN108B, GLN122B, GLN29C, GLN39C, GLU177B, GLU181B, GLU79B, HIS105B, HIS11C, HIS99B, ILE106B, ILE111B, ILE119B, ILE8C, LEU102B, LEU110B, LEU112B, LEU14C, MET120B, PHE179B, PHE17C, PHE26C, PRO100B, PRO180B, SER109B, SER178B, THR27C, TRP104B, TYR13C, TYR35C, VAL10C
• B-D: ALA107B, ALA107D, ALA167B, ALA167D, ALA64B, ALA64D, ALA74B, ALA74D, ALA78B, ALA78D, ARG164B, ARG164D, ASN121B, ASN121D, ASN153B, ASN153D, ASN68B, ASN68D, ASP113B, ASP113D, ASP116B, ASP116D, ASP66B, ASP66D, CYS165B, CYS165D, CYS77B, CYS77D, GLN108B, GLN108D, GLN122B, GLN122D, GLU114B, GLU114D, GLY76B, GLY76D, HIS105D, HIS229B, HIS229D, ILE111B, ILE111D, ILE119B, ILE119D, ILE69B, ILE69D, ILE70B, ILE70D, ILE75B, ILE75D, LEU110B, LEU110D, LEU112B, LEU112D, LEU168B, LEU168D, LYS163B, LYS163D, MET117B, MET117D, MET120B, MET120D, MET123B, MET123D, MET67B, MET67D, PHE115B, PHE115D, PHE65B, PHE65D, PHE73B, PHE73D, PRO158B, PRO158D, PRO159B, PRO159D, PRO160B, PRO160D, PRO71B, PRO71D, SER109B, SER109D, SER161B, SER161D, THR118B, THR118D, THR156B, THR156D, THR72B, THR72D, TRP104B, TRP104D, TYR157B, TYR157D, VAL152D
• C-D: ALA106C, ALA107C, ALA119C, ALA12C, ALA130C, ALA15C, ALA15D, ALA18D, ALA202D, ALA268D, ALA272D, ALA28C, ALA31C, ALA41C, ALA47C, ALA62D, ALA64D, ALA84D, ARG127C, ARG133C, ARG201D, ARG234D, ARG24C, ARG30C, ARG32C, ARG50C, ASN153D, ASN206D, ASN270D, ASN36C, ASN38C, ASN59D, ASN68D, ASN80C, ASN88C, ASP124C, ASP124D, ASP126D, ASP18C, ASP19C, ASP28D, ASP60D, ASP66D, ASP85D, ASP99C, GLN104C, GLN120C, GLN196D, GLN198D, GLN231D, GLN29C, GLN39C, GLU16C, GLU208D, GLU235D, GLU239D, GLU242D, GLU48C, GLU86D, GLY100C, GLY108C, GLY112C, GLY125C, GLY126C, GLY131C, GLY137C, GLY138C, GLY192D, GLY199D, GLY203D, GLY22C, GLY237D, GLY240D, GLY296D, GLY34C, GLY86C, GLY87C, GLY87D, GLY89D, HIS127D, HIS12D, HIS195D, HIS229D, HIS265D, HIS297D, HIS61D, ILE123C, ILE135C, ILE13D, ILE205D, ILE20C, ILE230D, ILE266D, ILE69D, ILE70D, ILE83C, LEU14C, LEU197D, LEU204D, LEU233D, LEU299D, LEU37C, LEU44C, LEU92C, LEU95C, LYS101C, LYS136C, LYS207D, LYS46C, LYS54C, LYS94C, MET110C, MET113C, MET121C, MET122C, MET42C, MET45C, MET67D, PHE103C, PHE105C, PHE17C, PHE209D, PHE26C, PHE40C, PHE65D, PHE91C, PHE96C, PRO129C, PRO14D, PRO158D, PRO159D, PRO160D, PRO200D, PRO21C, PRO228D, PRO267D, PRO83D, PRO90D, SER102C, SER109C, SER128C, SER134C, SER161D, SER194D, SER236D, SER238D, SER269D, SER298D, SER63D, SER93C, SER97C, THR111C, THR156D, THR23C, THR271D, THR27C, THR98C, TRP30D, TRP64C, TRP88D, TYR118C, TYR139C, TYR13C, TYR157D, TYR232D, TYR264D, TYR29D, TYR35C, TYR79C, TYR90C, VAL10C, VAL132C, VAL154D, VAL155D, VAL241D, VAL25C, VAL89C