1XU1

the crystal structure of april bound to taci

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-S
  • Int. Res.: 64
  • Norm. En. per Res.: -4.0947
• 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	-52.9686	53.1079	-227.253	-227.1137	99	14	11	10245	0	8	30
A-D	-38.4638	47.3275	-255.72	-246.8563	97	11	11	10432	0	9	28
A-R	-26.4133	-43.6936	-189.878	-259.9849	65	3	4	7601	4	22	21
A-T	-26.6011	13.5176	-59.998	-73.0815	33	4	1	2281	0	11	10
B-D	-63.6011	50.3669	-251.765	-264.9992	97	13	10	10621	0	8	29
B-R	-14.3976	9.748	-42.7367	-47.3863	31	3	1	1744	0	10	7
B-S	-28.0453	-37.8012	-196.214	-262.0605	64	3	4	7574	4	19	18
D-S	-17.8626	11.6158	-55.4794	-61.7261	34	4	1	2158	0	11	10
D-T	-27.1102	-32.0303	-189.393	-248.5335	63	3	4	7406	4	18	18

Interface residues

• A-B: ALA198B, ALA205A, ALA205B, ARG134B, ARG135B, ARG175A, ARG186A, ARG189A, ARG189B, ARG197B, ARG222A, ASN200A, ASN200B, ASP194B, ASP196B, CYS187A, CYS187B, CYS202A, CYS202B, GLN159B, GLN171A, GLU182A, GLY152A, GLY170A, GLY206A, GLY233B, GLY237B, HIS106A, HIS106B, HIS110B, HIS163B, HIS209A, HIS211A, HIS232B, ILE153A, ILE188A, ILE188B, LEU109B, LEU111B, LEU133B, LEU155A, LEU155B, LEU156A, LEU161B, LEU184A, LEU210A, LEU229B, LEU236B, LEU241A, LEU241B, LYS105B, LYS240A, LYS240B, MET169A, MET191A, MET191B, PHE162B, PHE167A, PHE185A, PHE208A, PHE235B, PHE238B, PRO192A, PRO192B, PRO195B, PRO231B, SER107B, SER158B, SER174A, SER190A, SER190B, SER193A, 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, ARG222D, ASN200A, ASN200D, ASP194A, ASP196A, CYS187A, CYS187D, CYS202A, CYS202D, GLN159A, GLN171D, GLU182D, GLY152D, GLY170D, GLY206D, GLY233A, GLY237A, HIS106A, HIS106D, HIS110A, HIS163A, HIS209D, HIS211D, HIS232A, ILE153D, ILE188D, LEU109A, LEU111A, LEU133A, LEU155A, LEU155D, LEU156D, LEU161A, LEU184D, LEU210D, LEU229A, LEU236A, LEU241A, LEU241D, LYS105A, LYS240A, LYS240D, MET169D, MET191A, MET191D, PHE162A, PHE167D, PHE185D, PHE208D, PHE235A, PHE238A, PRO192A, PRO192D, PRO195A, PRO231A, SER107A, SER158A, SER158D, SER174D, SER190A, SER190D, 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: ALA120A, ALA198A, ALA223A, ALA225A, ARG181A, ARG186A, ARG189A, ARG222A, ARG84R, ASN224A, ASP121A, ASP123A, ASP164A, ASP194A, ASP80R, ASP85R, CYS100R, CYS187A, CYS202A, CYS89R, CYS93R, GLN171A, GLN95R, GLN99R, GLU182A, GLY170A, GLY94R, HIS81R, HIS96R, ILE188A, ILE220A, ILE87R, ILE92R, LEU184A, LEU82R, LEU83R, LYS119A, LYS219A, LYS226A, LYS73R, LYS98R, MET169A, MET191A, PHE162A, PHE167A, PHE185A, PHE78R, PRO192A, PRO195A, PRO221A, PRO97R, SER118A, SER122A, SER174A, SER190A, SER193A, SER91R, THR166A, THR168A, THR183A, TYR79R, VAL124A, VAL165A, VAL172A, VAL173A
• A-T: ALA198A, ALA90T, ARG197A, ARG84T, ASN200A, ASP194A, ASP196A, ASP80T, ASP85T, CYS86T, CYS89T, CYS93T, GLN95T, GLY94T, HIS163A, HIS232A, HIS81T, HIS96T, ILE87T, ILE92T, LEU161A, LEU82T, LEU83T, LYS77T, PHE162A, PHE78T, PRO195A, PRO231A, SER228A, SER230A, SER88T, SER91T, TYR199A
• B-D: ALA198D, ALA205B, ALA205D, ARG134D, ARG135D, ARG186B, ARG189B, ARG189D, ARG197D, ARG222B, ASN200B, ASN200D, ASP194D, ASP196D, CYS187B, CYS187D, CYS202B, CYS202D, GLN159D, GLN171B, GLU182B, GLY136D, GLY152B, GLY170B, GLY206B, GLY233D, GLY237D, HIS106B, HIS106D, HIS110D, HIS163D, HIS209B, HIS232D, ILE153B, ILE188B, LEU109D, LEU111D, LEU133D, LEU155B, LEU155D, LEU156B, LEU161D, LEU184B, LEU210B, LEU229D, LEU241B, LEU241D, LYS105B, LYS105D, LYS240B, LYS240D, MET169B, MET191B, MET191D, PHE162D, PHE167B, PHE185B, PHE208B, PHE235D, PHE238D, PRO192B, PRO192D, PRO195D, PRO231D, SER107D, SER158D, SER174B, SER190B, SER190D, SER193B, SER193D, 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, VAL239D
• B-R: ALA198B, ALA90R, ARG197B, ARG84R, ASN200B, ASP194B, ASP196B, ASP80R, ASP85R, CYS86R, CYS89R, CYS93R, GLN95R, GLY94R, HIS163B, HIS232B, HIS81R, HIS96R, ILE87R, ILE92R, LEU161B, LEU82R, LEU83R, PHE162B, PRO195B, PRO231B, SER228B, SER230B, SER88R, SER91R, TYR199B
• B-S: ALA120B, ALA198B, ALA223B, ARG181B, ARG186B, ARG189B, ARG222B, ARG84S, ASN224B, ASP121B, ASP123B, ASP164B, ASP194B, ASP80S, ASP85S, CYS100S, CYS187B, CYS202B, CYS89S, CYS93S, GLN171B, GLN95S, GLN99S, GLU182B, GLY170B, GLY94S, HIS81S, HIS96S, ILE188B, ILE220B, ILE87S, ILE92S, LEU184B, LEU82S, LEU83S, LYS119B, LYS219B, LYS73S, LYS98S, MET169B, MET191B, PHE162B, PHE167B, PHE185B, PHE78S, PRO192B, PRO195B, PRO221B, PRO97S, SER118B, SER122B, SER174B, SER190B, SER193B, SER88S, SER91S, THR166B, THR168B, THR183B, TYR79S, VAL124B, VAL165B, VAL172B, VAL173B
• D-S: ALA198D, ALA90S, ARG197D, ARG84S, ASN200D, ASP194D, ASP196D, ASP80S, ASP85S, CYS86S, CYS89S, CYS93S, GLN95S, GLY94S, HIS163D, HIS232D, HIS81S, HIS96S, ILE87S, ILE92S, LEU161D, LEU82S, LEU83S, LYS77S, PHE162D, PHE78S, PRO192D, PRO195D, PRO231D, SER228D, SER230D, SER88S, SER91S, TYR199D
• D-T: ALA120D, ALA198D, ALA223D, ARG181D, ARG186D, ARG189D, ARG222D, ARG84T, ASN224D, ASP121D, ASP123D, ASP164D, ASP194D, ASP80T, ASP85T, CYS100T, CYS187D, CYS202D, CYS93T, GLN171D, GLN95T, GLN99T, GLU182D, GLY170D, GLY94T, HIS81T, HIS96T, ILE188D, ILE220D, ILE87T, ILE92T, LEU184D, LEU82T, LEU83T, LYS119D, LYS219D, LYS73T, LYS98T, MET169D, MET191D, PHE162D, PHE167D, PHE185D, PHE78T, PRO192D, PRO195D, PRO221D, PRO97T, SER118D, SER122D, SER174D, SER190D, SER193D, SER88T, SER91T, THR166D, THR168D, THR183D, TYR79T, VAL124D, VAL165D, VAL172D, VAL173D