2AKR

structural basis of sulfatide presentation by mouse cd1d

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 132
  • Norm. En. per Res.: -3.6192
• 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	-27.3614	-66.3407	-376.825	-470.5271	134	4	6	12534	4	30	22
A-C	-13.3992	0.0	-59.3676	-72.7668	49	11	0	2809	0	14	17
A-D	0.0	10.755	-0.6476	10.1074	8	0	0	82	0	4	6
C-D	-35.1412	-71.7236	-370.87	-477.7348	132	9	6	13021	5	29	23

Interface residues

• A-B: ALA102A, ALA119A, ALA191A, ALA19A, ALA241A, ALA66B, ARG11A, ARG127A, ARG12B, ARG25A, ARG39A, ARG97B, ASN21B, ASN240A, ASN24B, ASP236A, ASP242A, ASP27A, ASP34A, ASP53B, ASP59B, ASP96B, ASP98B, CYS12A, CYS25B, GLN121A, GLN14A, GLN248A, GLN29B, GLN2B, GLN36A, GLN8B, GLN99A, GLU105A, GLU16B, GLU187A, GLU243A, GLU50B, GLU97A, GLY122A, GLY212A, GLY235A, HIS117A, HIS13B, HIS209A, HIS31B, HIS34B, HIS38A, HIS67B, ILE22B, ILE64B, ILE7B, ILE96A, ILE98A, LEU100A, LEU116A, LEU13A, LEU193A, LEU238A, LEU23B, LEU247A, LEU277A, LEU65B, LYS123A, LYS185A, LYS188A, LYS216A, LYS3B, LYS58B, MET15A, MET51B, MET54B, MET99B, PHE115A, PHE120A, PHE18A, PHE213A, PHE237A, PHE30B, PHE56B, PHE62B, PRO14B, PRO15B, PRO189A, PRO197A, PRO239A, PRO32B, PRO33B, PRO95A, SER101A, SER11B, SER16A, SER17A, SER194A, SER195A, SER211A, SER28A, SER41A, SER48A, SER52B, SER55B, SER57B, SER61B, THR244A, THR250A, THR28B, THR50A, THR68B, THR9A, TRP192A, TRP23A, TRP245A, TRP31A, TRP40A, TRP60B, TRP95B, TYR10B, TYR124A, TYR214A, TYR246A, TYR26B, TYR63B, VAL118A, VAL125A, VAL126A, VAL136A, VAL190A, VAL196A, VAL207A, VAL210A, VAL27B, VAL29A, VAL30A, VAL9B
• A-C: ALA178C, ALA241C, ARG224A, ARG234A, ARG39C, ASN60C, ASP182C, ASP252A, GLN227A, GLN229A, GLN230A, GLN55C, GLN61C, GLN67C, GLU228A, GLU254A, GLU257A, GLU64C, GLY179C, GLY231A, GLY56C, HIS203A, HIS233A, HIS38C, ILE47C, LEU175C, LEU251A, LEU261A, LEU58C, LYS180C, LYS51C, LYS57C, MET221A, MET223A, PHE171C, PHE49C, PRO52C, SER181C, SER44C, SER48C, SER54C, THR232A, THR46C, THR50C, TRP219A, TRP222A, TRP53C, TRP63C, VAL220A
• A-D: ALA255A, GLU254A, GLU50D, GLY202A, HIS203A, HIS67D, LYS48D, MET51D
• C-D: ALA102C, ALA119C, ALA191C, ALA19C, ALA241C, ALA66D, ALA85D, ARG11C, ARG127C, ARG12D, ARG25C, ARG39C, ARG97D, ASN21D, ASN240C, ASN24D, ASP236C, ASP242C, ASP27C, ASP34C, ASP53D, ASP59D, ASP96D, ASP98D, CYS12C, CYS25D, GLN121C, GLN14C, GLN248C, GLN29D, GLN2D, GLN36C, GLN8D, GLN99C, GLU16D, GLU187C, GLU243C, GLU50D, GLU97C, GLY122C, GLY212C, GLY235C, HIS117C, HIS13D, HIS209C, HIS31D, HIS34D, HIS38C, HIS67D, ILE22D, ILE64D, ILE7D, ILE96C, ILE98C, LEU100C, LEU116C, LEU13C, LEU193C, LEU238C, LEU23D, LEU247C, LEU277C, LEU65D, LYS123C, LYS188C, LYS216C, LYS3D, LYS58D, MET15C, MET51D, MET54D, MET99D, PHE115C, PHE120C, PHE18C, PHE213C, PHE237C, PHE30D, PHE56D, PHE62D, PRO14D, PRO15D, PRO189C, PRO197C, PRO239C, PRO32D, PRO33D, PRO95C, SER101C, SER11D, SER16C, SER17C, SER194C, SER195C, SER211C, SER24C, SER28C, SER41C, SER48C, SER52D, SER55D, SER57D, SER61D, THR244C, THR28D, THR50C, THR68D, THR9C, TRP192C, TRP23C, TRP245C, TRP31C, TRP40C, TRP60D, TRP95D, TYR10D, TYR124C, TYR214C, TYR246C, TYR26D, TYR63D, VAL118C, VAL125C, VAL126C, VAL190C, VAL196C, VAL207C, VAL210C, VAL27D, VAL29C, VAL30C, VAL9D