2IXF

crystal structure of the atpase domain of tap1 with atp (d645q, q678h mutant)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 40
  • Norm. En. per Res.: -2.4133
• 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	-61.7433	-18.1209	-180.524	-260.3882	131	9	4	7078	0	19	16
A-C	0.0	6.1812	-5.8782	0.303	13	0	0	520	0	2	2
B-C	-8.0488	4.1499	-92.6347	-96.5335	40	3	0	3603	0	4	8
B-D	0.0	0.0	-4.5487	-4.5487	11	0	0	365	0	2	1
C-D	-61.2498	-18.5336	-191.637	-271.4204	139	9	6	7420	0	19	16

Interface residues

• A-B: ALA598A, ALA598B, ALA627A, ALA627B, ALA649A, ALA649B, ALA652A, ALA652B, ALA719A, ALA719B, ARG625A, ARG625B, ARG657B, ARG660B, ARG685A, ASN491A, ASN491B, ASN517A, ASN517B, ASN618A, ASN618B, ASN654A, ASN654B, ASP651A, ASP651B, CYS712A, GLN563A, GLN563B, GLN607A, GLN619A, GLN619B, GLN624A, GLN624B, GLN626A, GLN626B, GLN645A, GLN645B, GLN655A, GLN655B, GLN659A, GLN659B, GLN679A, GLN679B, GLU612A, GLU612B, GLU615A, GLU615B, GLU718A, GLU718B, GLY515A, GLY515B, GLY518A, GLY518B, GLY520A, GLY520B, GLY597A, GLY597B, GLY604A, GLY604B, GLY614A, GLY614B, GLY617A, GLY617B, GLY622A, GLY622B, GLY623A, GLY623B, GLY653A, GLY653B, HIS492A, HIS492B, HIS678A, HIS678B, LEU620A, LEU620B, LEU650A, LEU650B, LEU656A, LEU656B, LEU680A, LEU680B, LYS521A, LYS521B, MET716A, MET716B, PHE601A, PHE601B, PHE605A, PHE605B, PHE691A, PHE691B, PRO516A, PRO516B, PRO606A, PRO606B, SER519A, SER519B, SER522A, SER522B, SER596A, SER596B, SER621A, SER621B, SER648A, SER648B, SER681A, SER681B, SER715A, SER715B, THR523A, THR523B, THR611A, THR611B, THR616A, THR616B, THR647A, THR647B, THR677A, THR677B, TYR489A, TYR489B, TYR532A, TYR532B, VAL495A, VAL495B, VAL497A, VAL497B, VAL514A, VAL514B, VAL717A, VAL717B
• A-C: ARG573C, ASN494A, GLN496A, GLN499A, GLU587C, GLU588C, GLU694A, MET586C, PRO493A, PRO584C, THR583C, THR585C, VAL495A
• B-C: ARG573B, ARG573C, ASP600B, ASP600C, ASP610B, ASP610C, GLN607B, GLN607C, GLN619C, GLU587B, GLU587C, GLY604B, GLY604C, GLY608B, GLY608C, HIS599B, HIS599C, ILE589B, ILE589C, ILE602B, ILE602C, MET586B, MET586C, MET594C, PHE572B, PHE605B, PHE605C, PRO606B, PRO606C, SER571B, SER571C, SER603B, SER603C, THR585C, THR590B, THR590C, THR611B, THR611C, TYR609B, TYR609C
• B-D: ARG573B, ASN494D, GLN496D, GLU587B, GLU588B, MET586B, PRO493D, PRO584B, THR583B, THR585B, VAL495D
• C-D: ALA488C, ALA488D, ALA627C, ALA627D, ALA649C, ALA649D, ALA652C, ALA652D, ALA719C, ALA719D, ARG625C, ARG625D, ARG657C, ARG657D, ARG660C, ARG660D, ARG685D, ASN491C, ASN491D, ASN494C, ASN494D, ASN517C, ASN517D, ASN618C, ASN618D, ASN654C, ASN654D, ASP651C, ASP651D, CYS712C, CYS712D, GLN496C, GLN496D, GLN563C, GLN563D, GLN607D, GLN619C, GLN619D, GLN624C, GLN624D, GLN626C, GLN626D, GLN645C, GLN645D, GLN655C, GLN655D, GLN659C, GLN659D, GLN679C, GLN679D, GLU612D, GLU718C, GLU718D, GLY515C, GLY515D, GLY518C, GLY518D, GLY520C, GLY520D, GLY597C, GLY597D, GLY604C, GLY604D, GLY614D, GLY617C, GLY617D, GLY622C, GLY622D, GLY623C, GLY623D, GLY653C, GLY653D, HIS492C, HIS492D, HIS678C, HIS678D, LEU620C, LEU620D, LEU650C, LEU650D, LEU656C, LEU656D, LEU680C, LEU680D, LEU682D, LEU720C, LYS521C, LYS521D, LYS693C, MET716C, MET716D, PHE601C, PHE601D, PHE605C, PHE605D, PHE691C, PHE691D, PRO493C, PRO493D, PRO516C, PRO516D, PRO606C, PRO606D, SER519C, SER519D, SER522C, SER522D, SER596C, SER621C, SER621D, SER648C, SER648D, SER681C, SER681D, SER715C, SER715D, THR523C, THR523D, THR611C, THR611D, THR616C, THR616D, THR647C, THR647D, THR677C, THR677D, TYR489C, TYR489D, TYR532C, TYR532D, TYR713D, VAL495C, VAL495D, VAL497C, VAL497D, VAL514C, VAL514D, VAL717C, VAL717D