2JRI

solution structure of the josephin domain of ataxin-3 in complex with ubiquitin molecule.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 74
  • Norm. En. per Res.: -4.2102
• 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	-46.9863	-20.4448	-353.055	-420.4861	101	15	3	13010	1	32	21
A-C	-34.7035	-44.3384	-232.512	-311.5539	74	20	5	9035	4	21	11
B-C	-6.7516	0.0	-7.5284	-14.28	7	1	0	180	0	0	0

Interface residues

• A-B: ALA15A, ALA228B, ARG224B, ARG254B, ARG256B, ARG59A, ASN115A, ASN132A, ASN134A, ASN21A, ASN242B, ASN68A, ASP240B, ASP57A, ASP70A, ASP71A, CYS114A, CYS14A, CYS18A, GLN16A, GLN222B, GLN231B, GLN244B, GLN63A, GLN64A, GLN78A, GLN9A, GLU10A, GLU118A, GLU216B, GLU246B, GLU56A, GLY11A, GLY192B, GLY217B, GLY229B, GLY257B, GLY258B, GLY67A, GLY73A, HIS119A, HIS17A, HIS250B, ILE113A, ILE195B, ILE218B, ILE226B, ILE243B, ILE77A, ILE80A, LEU133A, LEU136A, LEU137A, LEU13A, LEU190B, LEU19A, LEU225B, LEU22A, LEU232B, LEU238B, LEU249B, LEU251B, LEU253B, LEU255B, LEU62A, LYS117A, LYS188B, LYS193B, LYS215B, LYS230B, LYS245B, MET69A, PHE121A, PHE163A, PHE186B, PHE227B, PHE61A, PHE74A, PHE75A, PRO65A, SER12A, SER135A, SER161A, SER247B, SER55A, SER66A, SER72A, SER76A, THR122A, THR189B, THR191B, THR248B, THR54A, THR60A, TRP120A, TYR116A, TYR241B, TYR58A, VAL123A, VAL252B, VAL79A
• A-C: ALA304C, ALA37A, ALA83A, ARG300C, ARG330C, ARG332C, ARG45A, ASN20A, ASN318C, ASN68A, ASN82A, ASP41A, ASP70A, GLN16A, GLN307C, GLN39A, GLN63A, GLN64A, GLU26A, GLU322C, GLU32A, GLU42A, GLU43A, GLU7A, GLY25A, GLY268C, GLY305C, GLY333C, GLY334C, GLY67A, GLY88A, HIS326C, HIS38A, ILE302C, ILE319C, ILE36A, LEU19A, LEU23A, LEU266C, LEU301C, LEU325C, LEU327C, LEU329C, LEU331C, LEU33A, LEU84A, LEU89A, LYS264C, LYS269C, LYS306C, LYS85A, MET69A, PHE262C, PHE28A, PHE303C, PHE5A, PHE75A, PRO170A, PRO30A, PRO65A, SER29A, SER323C, SER34A, SER35A, SER66A, THR265C, THR267C, THR270C, THR324C, TRP87A, TYR27A, VAL31A, VAL328C, VAL86A
• B-C: ALA228B, GLN231B, GLY229B, GLY333C, GLY334C, ILE226B, LYS230B