2ATP

crystal structure of a cd8ab heterodimer

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 104
  • Norm. En. per Res.: -2.8663
• Hub Node: A(4)

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-E	0.0	5.5572	-22.9966	-17.4394	15	5	0	1050	0	6	4
A-B	-13.6776	-19.5521	-264.866	-298.0957	104	8	8	10739	2	7	9
A-C	-10.969	0.0	-51.1224	-62.0914	28	3	1	1570	0	1	1
A-D	0.0	0.0	-0.5629	-0.5629	8	0	0	141	0	4	2
E-B	-12.0834	0.0	19.2189	7.1355	22	17	2	1232	0	1	2
C-F	0.0	0.0	-11.8439	-11.8439	10	1	1	573	0	0	0
C-D	-4.6122	-19.8469	-247.288	-271.7471	101	4	9	10305	1	6	9
F-D	-26.0867	0.0	3.3938	-22.6929	20	15	3	1182	0	0	0

Interface residues

• A-E: ALA29E, ARG23E, ASN42A, ASP25E, GLN49A, GLY26E, LEU47A, LYS24E, LYS46A, LYS68A, PRO48A, SER27E, SER28E, SER44A, SER45A
• A-B: ALA49B, ALA57A, ALA97B, ARG35B, ARG37B, ASN107A, ASP42B, ASP66A, CYS102A, CYS36A, CYS96B, GLN34A, GLN38B, GLN3B, GLN41A, GLN49A, GLU36B, GLU46B, GLU61B, GLU67A, GLY100B, GLY107B, GLY109B, GLY35A, GLY56B, GLY60B, GLY98A, ILE105A, ILE2B, ILE31B, ILE63A, ILE9A, LEU1B, LEU34B, LEU39A, LEU47A, LEU48B, LEU58B, LEU69A, LYS103B, LYS111B, LYS12A, LYS13A, LYS41B, LYS43B, LYS46A, LYS55B, LYS62A, LYS68A, MET104B, MET110A, MET56A, PHE101A, PHE106B, PHE112A, PHE40A, PHE45B, PHE47B, PHE52A, PHE93B, PHE95B, PRO102B, PRO117A, PRO48A, PRO50A, SER101B, SER103A, SER106A, SER108A, SER113A, SER114A, SER30B, SER37A, SER50B, SER52B, SER53B, SER54B, SER6B, THR108B, THR110B, THR29B, THR51A, THR64A, THR98B, TRP33B, TRP38A, TRP51B, TRP65A, TYR100A, TYR111A, TYR32B, TYR44B, TYR55A, TYR59B, TYR99A, VAL104A, VAL105B, VAL109A, VAL115A, VAL116A, VAL53A, VAL54A, VAL57B, VAL99B
• A-C: ALA16A, ALA4C, ALA57C, ASN107C, GLN120A, GLN20A, GLN34C, GLU17A, GLY19A, GLY30C, HIS60C, ILE105C, LEU18A, LYS121A, LYS21A, LYS91A, PHE92A, PRO5C, SER106C, SER108C, SER31C, SER33C, SER58C, SER59C, SER93A, TYR111C, VAL109C, VAL32C
• A-D: GLN20A, GLU17A, GLU61D, LEU58D, LYS21A, LYS55D, LYS91A, SER54D
• E-B: ALA29E, ASP25E, CYS20B, GLN3B, GLU21B, GLY107B, GLY26E, ILE25B, ILE2B, LEU1B, LYS103B, LYS23B, LYS24E, PHE106B, SER24B, SER26B, SER27E, SER28E, THR108B, THR98B, VAL105B, VAL22B
• C-F: ALA29F, ASP66C, GLN49C, GLU67C, LEU47C, LYS68C, PHE52C, PRO50C, SER28F, THR51C
• C-D: ALA49D, ALA4C, ALA57C, ALA97D, ARG35D, ARG37D, ASN107C, ASP42D, ASP66C, CYS102C, CYS36C, CYS96D, GLN34C, GLN38D, GLN3D, GLN41C, GLN49C, GLU36D, GLU46D, GLU61D, GLU67C, GLY100D, GLY107D, GLY109D, GLY35C, GLY56D, GLY60D, ILE105C, ILE31D, ILE63C, LEU1D, LEU34D, LEU39C, LEU47C, LEU48D, LEU58D, LYS103D, LYS111D, LYS12C, LYS23D, LYS41D, LYS43D, LYS46C, LYS55D, LYS62C, LYS68C, MET104D, MET110C, MET56C, PHE101C, PHE106D, PHE112C, PHE40C, PHE45D, PHE47D, PHE52C, PHE93D, PHE95D, PRO102D, PRO117C, PRO48C, PRO50C, SER101D, SER103C, SER106C, SER108C, SER113C, SER114C, SER30D, SER37C, SER50D, SER52D, SER53D, SER54D, SER62D, SER6D, THR108D, THR110D, THR51C, THR64C, THR98D, TRP33D, TRP38C, TRP51D, TRP65C, TYR100C, TYR111C, TYR32D, TYR44D, TYR55C, TYR59D, TYR99C, VAL104C, VAL105D, VAL109C, VAL115C, VAL116C, VAL53C, VAL54C, VAL57D, VAL99D
• F-D: ALA29F, ALA97D, CYS20D, CYS96D, GLN3D, GLU21D, GLY107D, GLY109D, ILE2D, LEU1D, LYS103D, LYS23D, MET104D, PHE106D, PHE95D, SER28F, THR108D, THR98D, VAL105D, VAL22D