3K48

crystal structure of april bound to a peptide

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-S
  • Int. Res.: 43
  • Norm. En. per Res.: -3.2375
• 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-B	-72.1438	51.6391	-256.812	-277.3166	103	24	10	10962	0	9	29
A-D	-41.6761	50.154	-241.369	-232.8911	99	23	13	10798	0	8	31
A-R	-5.2838	17.1998	-82.8488	-70.9328	39	6	1	2846	0	10	7
A-S	-10.0827	-15.2479	-113.882	-139.2126	43	7	0	4622	2	13	12
B-D	-56.1046	57.0677	-269.158	-268.1949	95	24	12	11096	0	9	30
B-S	-7.4779	-5.9365	-80.8212	-94.2356	35	5	1	2689	0	4	1
B-T	-4.3206	-5.8456	-123.043	-133.2092	44	3	0	4580	2	12	12
D-R	0.0	-6.4266	-131.546	-137.9726	43	5	0	4810	2	13	12
D-T	0.0	-5.8192	-71.2681	-77.0873	35	4	1	2594	0	4	2

Interface residues

• A-B: ALA198A, ALA198B, ALA205A, ALA205B, ARG134B, ARG135B, ARG181A, ARG186A, ARG189A, ARG189B, ARG197A, ARG197B, ARG222A, ASN200A, ASN200B, ASP164A, ASP194A, ASP194B, ASP196B, CYS187A, CYS187B, CYS202A, CYS202B, GLN159B, GLN171A, GLU182A, GLY152A, GLY170A, GLY206A, GLY233B, GLY237B, HIS106A, HIS106B, HIS110B, HIS163B, HIS209A, HIS211A, HIS232B, ILE153A, ILE188A, LEU109B, LEU133B, LEU155A, LEU155B, LEU156A, LEU161B, LEU184A, LEU210A, LEU229B, LEU236B, LEU241A, LEU241B, LYS105A, LYS105B, LYS240A, LYS240B, MET169A, MET191A, MET191B, PHE162B, PHE167A, PHE185A, PHE208A, PHE235B, PHE238B, PRO192A, PRO192B, PRO231B, SER107B, SER158A, SER158B, SER174A, SER190A, SER190B, SER193A, SER193B, SER201A, SER201B, SER204A, SER204B, SER228B, SER230B, THR151A, THR166A, THR168A, THR183A, THR234B, TYR154A, TYR157A, TYR157B, TYR199B, TYR203A, TYR203B, VAL108B, VAL112B, VAL132B, VAL160B, VAL165A, VAL172A, VAL173A, VAL207A, VAL239A, VAL239B
• A-D: ALA198A, ALA205A, ALA205D, ARG134A, ARG135A, ARG186D, ARG189A, ARG189D, ARG197A, ARG197D, ARG222D, ASN200A, ASN200D, ASP194A, ASP194D, ASP196A, CYS187A, CYS187D, CYS202A, CYS202D, GLN159A, GLN171D, GLU182D, GLY152D, GLY170D, GLY206D, GLY233A, GLY237A, HIS106A, HIS106D, HIS110A, HIS209D, HIS232A, ILE153D, ILE188A, ILE188D, LEU109A, LEU111A, LEU133A, LEU155A, LEU155D, LEU156D, LEU161A, LEU184D, LEU210D, LEU229A, LEU236A, LEU241A, LEU241D, LYS105A, LYS105D, LYS240A, LYS240D, MET169D, MET191A, MET191D, PHE162A, PHE167D, PHE185D, PHE208D, PHE235A, PHE238A, PRO192A, PRO192D, PRO231A, SER107A, SER158A, SER158D, SER174D, SER190A, SER190D, SER193A, SER193D, SER201A, SER201D, SER204A, SER204D, SER228A, SER230A, THR166D, THR168D, THR183D, THR234A, TYR154D, TYR157A, TYR157D, TYR199A, TYR203A, TYR203D, VAL108A, VAL112A, VAL132A, VAL160A, VAL165D, VAL172D, VAL173D, VAL207D, VAL239A, VAL239D
• A-R: ALA198A, ALA225A, ARG7R, ASN200A, ASP10R, ASP164A, ASP196A, ASP5R, CYS14R, GLN159A, GLU15R, GLY233A, HIS163A, HIS16R, HIS232A, ILE116A, LEU161A, LEU227A, LEU229A, LYS226A, MET13R, MET169A, MET191A, PHE12R, PHE162A, PRO11R, PRO195A, PRO231A, PRO6R, SER1R, SER201A, SER228A, SER230A, THR234A, TRP3R, TRP8R, TYR199A, TYR9R, VAL160A
• A-S: ALA223A, ARG181A, ARG186A, ARG189A, ARG222A, ARG7S, ASP10S, ASP123A, ASP5S, CYS14S, CYS187A, CYS202A, CYS4S, GLN171A, GLU176A, GLU182A, GLY170A, GLY2S, ILE188A, ILE220A, LEU184A, LYS219A, MET13S, MET169A, PHE12S, PHE162A, PHE167A, PHE185A, PRO11S, PRO221A, PRO6S, SER122A, SER174A, THR125A, THR168A, THR183A, THR217A, TRP3S, TRP8S, TYR9S, VAL124A, VAL172A, VAL173A
• B-D: ALA198B, ALA198D, ALA205B, ALA205D, ARG134D, ARG135D, ARG186B, ARG189B, ARG189D, ARG197D, ASN200B, ASN200D, ASP194B, ASP194D, ASP196D, CYS187B, CYS187D, CYS202B, CYS202D, GLN159D, GLN171B, GLU182B, GLY152B, GLY170B, GLY206B, GLY233D, GLY237D, HIS106B, HIS106D, HIS110D, HIS209B, HIS232D, ILE153B, ILE188B, LEU109D, LEU111D, LEU133D, LEU155B, LEU155D, LEU156B, LEU161D, LEU184B, LEU210B, LEU229D, LEU236D, LEU241B, LEU241D, LYS105B, LYS105D, LYS240B, LYS240D, MET169B, MET191B, MET191D, PHE162D, PHE167B, PHE185B, PHE208B, PHE235D, PHE238D, PRO192B, PRO192D, PRO231D, SER107D, SER158D, SER190B, SER190D, SER193B, SER201B, SER201D, SER204B, SER204D, SER228D, SER230D, THR151B, THR166B, THR168B, THR183B, THR234D, TYR154B, TYR157B, TYR157D, TYR199D, TYR203B, TYR203D, VAL108D, VAL112D, VAL132D, VAL160D, VAL165B, VAL172B, VAL173B, VAL207B, VAL239B, VAL239D
• B-S: ALA198B, ALA225B, ARG7S, ASN200B, ASP10S, ASP164B, ASP196B, ASP5S, CYS14S, CYS4S, GLY233B, HIS163B, HIS232B, ILE116B, LEU161B, LEU227B, LEU229B, LYS226B, MET13S, MET169B, MET191B, PHE12S, PHE162B, PRO11S, PRO231B, PRO6S, SER201B, SER228B, SER230B, THR234B, TRP3S, TRP8S, TYR199B, TYR9S, VAL160B
• B-T: ALA223B, ARG181B, ARG186B, ARG189B, ARG222B, ARG7T, ASP10T, ASP123B, ASP5T, CYS14T, CYS187B, CYS202B, CYS4T, GLN171B, GLU126B, GLU176B, GLU182B, GLY170B, GLY2T, ILE188B, ILE220B, LEU184B, LYS219B, MET13T, MET169B, PHE12T, PHE162B, PHE167B, PHE185B, PRO11T, PRO221B, PRO6T, SER122B, SER174B, THR125B, THR168B, THR183B, THR217B, TRP3T, TRP8T, TYR9T, VAL124B, VAL172B, VAL173B
• D-R: ARG181D, ARG186D, ARG189D, ARG222D, ARG7R, ASP10R, ASP123D, ASP5R, CYS187D, CYS202D, CYS4R, GLN171D, GLU126D, GLU176D, GLU182D, GLY170D, GLY2R, ILE188D, ILE220D, LEU184D, LYS219D, MET13R, MET169D, PHE12R, PHE162D, PHE167D, PHE185D, PRO11R, PRO221D, PRO6R, SER122D, SER174D, SER1R, THR125D, THR168D, THR183D, THR217D, TRP3R, TRP8R, TYR9R, VAL124D, VAL172D, VAL173D
• D-T: ALA198D, ALA225D, ARG7T, ASN200D, ASP10T, ASP164D, ASP196D, ASP5T, CYS14T, CYS4T, GLY233D, HIS163D, HIS232D, ILE116D, LEU161D, LEU227D, LEU229D, LYS226D, MET13T, MET169D, MET191D, PHE12T, PHE162D, PRO11T, PRO231D, PRO6T, SER201D, SER228D, SER230D, THR234D, TRP3T, TRP8T, TYR199D, TYR9T, VAL160D