2BMC

aurora-2 t287d t288d complexed with pha-680632

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 152
  • Norm. En. per Res.: -3.4348
• 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	-43.2953	34.172	-512.968	-522.0913	152	25	15	20356	10	68	62
A-C	-15.8691	-10.2441	-140.795	-166.9082	54	2	2	5648	2	21	22
A-E	-29.0849	-39.8929	-74.8367	-143.8144	52	8	0	3693	6	29	28
B-D	-20.5454	-5.1963	-121.881	-147.6227	53	3	2	5207	2	18	20
B-E	0.0	0.0	-0.8954	-0.8954	10	7	0	352	0	0	0
B-F	-3.723	-20.9316	-73.3299	-97.9844	47	4	0	3028	6	25	27
C-D	-40.4271	65.7211	-526.122	-500.828	151	24	15	20242	10	67	56
E-F	-24.7892	60.2036	-516.453	-481.0385	149	21	15	20033	10	70	54

Interface residues

• A-B: ALA167A, ALA167B, ALA172A, ALA172B, ALA331A, ALA331B, ARG255A, ARG255B, ARG304A, ARG304B, ARG340A, ARG340B, ARG343A, ARG343B, ARG371A, ARG371B, ASN261A, ASN261B, ASN367A, ASN367B, ASP256A, ASP256B, ASP294A, ASP294B, ASP307A, ASP307B, ASP311A, ASP311B, CYS319A, CYS319B, GLN177A, GLN177B, GLN335A, GLN335B, GLN370B, GLU170A, GLU170B, GLU175A, GLU175B, GLU260A, GLU260B, GLU299A, GLU299B, GLU302A, GLU302B, GLU321A, GLU321B, GLU330A, GLU330B, GLU336A, GLU336B, GLU345A, GLU345B, GLY173A, GLY173B, GLY303A, GLY303B, GLY316A, GLY316B, GLY325B, HIS176A, HIS176B, HIS306A, HIS306B, HIS366A, HIS366B, ILE257A, ILE257B, ILE301A, ILE301B, ILE341A, ILE341B, LEU222A, LEU222B, LEU293A, LEU293B, LEU296A, LEU296B, LEU312A, LEU312B, LEU315A, LEU315B, LEU318A, LEU318B, LEU363A, LEU363B, LEU364A, LEU364B, LYS171A, LYS171B, LYS258A, LYS258B, LYS309A, LYS309B, LYS326A, LYS326B, LYS339A, LYS339B, LYS365A, LYS365B, MET300A, MET300B, MET305A, MET305B, PHE322A, PHE322B, PHE329A, PHE329B, PRO259A, PRO259B, PRO297A, PRO297B, PRO298A, PRO298B, PRO327A, PRO327B, PRO328A, PRO328B, PRO368A, PRO368B, SER314A, SER314B, SER342A, SER342B, SER369A, SER369B, THR292A, THR292B, THR333A, THR333B, THR337A, THR337B, TRP313A, TRP313B, TYR219A, TYR219B, TYR295A, TYR295B, TYR320A, TYR320B, TYR334A, TYR334B, TYR338A, TYR338B, VAL174A, VAL174B, VAL310A, VAL310B, VAL317A, VAL317B, VAL344A, VAL344B
• A-C: ALA129C, ALA150A, ALA167A, ALA203A, ALA203C, ARG126C, ARG137A, ARG205A, ARG205C, ASN146A, ASP132C, ASP202A, ASP202C, GLN127C, GLN154C, GLN168A, GLU131C, GLU134A, GLU134C, GLU152C, GLY136A, GLY140A, GLY142A, GLY145A, HIS201C, ILE135A, LEU130A, LEU130C, LEU139A, LEU149A, LEU161A, LEU164A, LYS141A, LYS143A, LYS153C, LYS156C, LYS162A, LYS166A, LYS166C, PHE133A, PHE133C, PHE144A, PHE165A, PHE200C, PRO138A, SER155C, THR204A, THR204C, TRP128C, TYR148A, TYR207A, TYR207C, VAL147A, VAL163A
• A-E: ALA331A, ALA356E, ALA385E, ARG340A, ARG343A, ARG357A, ARG357E, ARG362E, ARG371E, ARG375E, ASN332A, ASN386E, ASP350A, ASP358E, GLN335A, GLN370E, GLU230E, GLU330A, GLU336A, GLU345A, GLU354E, GLU376E, GLU379E, GLY355E, HIS366A, HIS380E, ILE341A, ILE383E, LEU359E, LEU378E, LYS339A, LYS365E, MET373E, PHE329A, PHE346A, PHE348A, PRO328A, PRO349A, PRO372E, PRO381E, SER342A, SER361A, SER369E, SER391E, THR333A, THR347A, THR353E, THR384E, TRP382E, TYR320A, VAL344A, VAL377E
• B-D: ALA129B, ALA150D, ALA167D, ALA203B, ALA203D, ARG126B, ARG137D, ARG205B, ARG205D, ASN146D, ASP132B, ASP202B, ASP202D, GLN127B, GLN154B, GLN168D, GLU131B, GLU134B, GLU134D, GLU152B, GLY136D, GLY140D, GLY142D, GLY145D, HIS201B, ILE135D, LEU130B, LEU130D, LEU139D, LEU149D, LEU161D, LEU164D, LYS125B, LYS141D, LYS143D, LYS153B, LYS156B, LYS166B, LYS166D, PHE133B, PHE144D, PHE165D, PHE200B, PRO138D, SER155B, THR204B, THR204D, TRP128B, TYR148D, TYR207B, TYR207D, VAL147D, VAL163D
• B-E: ARG371E, ASN367B, ASN367E, GLN370B, GLN370E, LYS365B, LYS365E, PRO368E, SER369B, SER369E
• B-F: ALA331F, ALA356B, ALA385B, ARG340F, ARG343F, ARG357F, ARG362B, ARG375B, ASN332F, ASN386B, ASP350F, ASP358B, GLN335F, GLN370B, GLU230B, GLU330F, GLU336F, GLU345F, GLU354B, GLU376B, GLU379B, GLY355B, HIS366F, HIS380B, ILE383B, LEU359B, LEU378B, LYS339F, LYS365B, MET373B, PHE329F, PHE346F, PHE348F, PRO328F, PRO349F, PRO372B, PRO381B, SER342F, SER361F, SER391B, THR333F, THR347F, THR353B, THR384B, TRP382B, TYR320F, VAL344F
• C-D: ALA167C, ALA167D, ALA172C, ALA172D, ALA331C, ALA331D, ARG255C, ARG255D, ARG304C, ARG304D, ARG340C, ARG340D, ARG343C, ARG343D, ARG371C, ARG371D, ASN261C, ASN261D, ASN367C, ASN367D, ASP256C, ASP256D, ASP294C, ASP294D, ASP307C, ASP307D, ASP311C, ASP311D, CYS319C, CYS319D, GLN168C, GLN177C, GLN177D, GLN223C, GLN335C, GLN335D, GLU170C, GLU170D, GLU175C, GLU175D, GLU260C, GLU260D, GLU299C, GLU299D, GLU302C, GLU302D, GLU321C, GLU321D, GLU330C, GLU330D, GLU336C, GLU336D, GLU345D, GLY173C, GLY173D, GLY303C, GLY303D, GLY316D, HIS176C, HIS176D, HIS306C, HIS306D, HIS366C, HIS366D, ILE257C, ILE257D, ILE301C, ILE301D, ILE341C, ILE341D, LEU169C, LEU169D, LEU222C, LEU222D, LEU293C, LEU293D, LEU296C, LEU296D, LEU312C, LEU312D, LEU315C, LEU315D, LEU318C, LEU318D, LEU363C, LEU363D, LEU364C, LEU364D, LYS171C, LYS171D, LYS258C, LYS258D, LYS309C, LYS309D, LYS326C, LYS326D, LYS339C, LYS339D, LYS365C, LYS365D, MET300C, MET300D, MET305C, MET305D, PHE322C, PHE322D, PHE329C, PHE329D, PRO259C, PRO259D, PRO297C, PRO297D, PRO298C, PRO298D, PRO327C, PRO327D, PRO328C, PRO328D, PRO368C, PRO368D, SER314C, SER314D, SER342C, SER342D, SER369C, SER369D, THR292C, THR292D, THR333C, THR333D, THR337C, THR337D, TRP313C, TRP313D, TYR219C, TYR219D, TYR295C, TYR295D, TYR320D, TYR334C, TYR334D, TYR338C, TYR338D, VAL174C, VAL174D, VAL310C, VAL310D, VAL317C, VAL317D, VAL344C, VAL344D
• E-F: ALA167E, ALA167F, ALA172E, ALA172F, ALA331E, ALA331F, ARG255E, ARG255F, ARG304E, ARG304F, ARG340E, ARG340F, ARG343E, ARG343F, ARG371E, ARG371F, ASN261E, ASN261F, ASN367E, ASN367F, ASP256E, ASP256F, ASP294E, ASP294F, ASP307E, ASP307F, ASP311E, ASP311F, CYS319E, GLN168F, GLN177E, GLN177F, GLN335E, GLN335F, GLU170E, GLU170F, GLU175E, GLU175F, GLU260E, GLU260F, GLU299E, GLU299F, GLU302E, GLU302F, GLU321E, GLU321F, GLU330E, GLU330F, GLU336E, GLU336F, GLU345E, GLY173E, GLY173F, GLY303E, GLY303F, GLY316E, GLY325E, HIS176E, HIS176F, HIS306E, HIS306F, HIS366E, HIS366F, ILE257E, ILE257F, ILE301E, ILE301F, ILE341E, ILE341F, LEU169F, LEU222E, LEU222F, LEU293E, LEU293F, LEU296E, LEU296F, LEU312E, LEU312F, LEU315E, LEU315F, LEU318E, LEU318F, LEU363E, LEU363F, LEU364E, LEU364F, LYS171E, LYS171F, LYS258E, LYS258F, LYS309E, LYS309F, LYS326E, LYS326F, LYS339E, LYS339F, LYS365E, LYS365F, MET300E, MET300F, MET305E, MET305F, PHE322E, PHE322F, PHE329E, PHE329F, PRO259E, PRO259F, PRO297E, PRO297F, PRO298E, PRO298F, PRO327E, PRO327F, PRO328E, PRO328F, PRO368E, PRO368F, SER314E, SER314F, SER342E, SER342F, SER369E, SER369F, THR292E, THR292F, THR333E, THR333F, THR337E, THR337F, TRP313E, TRP313F, TYR219E, TYR219F, TYR295E, TYR295F, TYR320E, TYR334E, TYR334F, TYR338E, TYR338F, VAL174E, VAL174F, VAL310E, VAL310F, VAL317E, VAL317F, VAL344E, VAL344F