1XU2

the crystal structure of april bound to bcma

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-T
  • Int. Res.: 64
  • Norm. En. per Res.: -3.303
• 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	-70.6921	42.6531	-267.586	-295.625	102	13	11	10815	0	6	30
A-D	-66.1616	48.9442	-278.276	-295.4934	102	13	11	11137	0	7	29
A-R	-13.2569	-16.7116	-168.411	-198.3796	66	4	4	7103	4	10	9
A-T	0.0	6.581	-27.8023	-21.2213	28	0	1	1442	0	7	6
B-D	-75.712	45.1343	-259.735	-290.3127	100	11	12	11033	0	7	27
B-R	0.0	6.8219	-33.5393	-26.7174	29	2	1	1567	0	6	6
B-S	-14.3721	-15.6919	-173.707	-203.771	67	5	4	7132	4	10	9
D-S	0.0	6.7709	-32.9281	-26.1572	28	1	1	1628	0	7	6
D-T	-25.1398	-19.0848	-167.166	-211.3906	64	2	4	7070	4	9	9

Interface residues

• A-B: ALA198B, ALA205A, ALA205B, ARG134B, ARG135B, ARG175A, ARG181A, ARG186A, ARG189A, ARG189B, ARG197B, ARG222A, ASN200A, ASN200B, ASP164B, ASP194B, ASP196B, CYS187A, CYS187B, CYS202A, CYS202B, GLN159B, GLN171A, GLU182A, GLY152A, GLY170A, GLY206A, GLY233B, GLY237B, HIS106A, HIS106B, HIS110B, HIS163B, HIS209A, HIS211A, HIS232B, ILE153A, ILE188A, LEU109B, LEU111B, 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, PRO195B, PRO231B, SER107B, SER158A, 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, ARG175D, ARG186D, ARG189A, ARG189D, ARG197A, ARG222D, ASN200A, ASN200D, ASP164A, ASP194A, ASP194D, ASP196A, CB9.828051.81166, CYS187A, CYS187D, CYS202A, CYS202D, GLN159A, GLN171D, GLU182D, GLY136A, GLY152D, GLY170D, GLY206D, GLY233A, GLY237A, HIS106A, HIS106D, HIS110A, HIS163A, HIS209D, HIS232A, ILE153D, ILE188D, LEU109A, LEU111A, LEU133A, LEU155A, LEU155D, LEU156D, LEU161A, LEU184D, LEU210D, LEU229A, LEU236A, LEU241A, LEU241D, LYS105A, LYS105A5, LYS240A, LYS240D, MET169D, MET191A, MET191D, PHE162A, PHE167D, PHE185D, PHE208D, PHE235A, PHE238A, PRO192A, PRO192D, PRO195A, PRO231A, SER107A, SER158A, SER174D, SER190A, SER190D, SER193D, SER201A, SER201D, SER204A, SER204D, SER228A, SER230A, THR151D, THR166D, THR168D, THR183D, THR234A, TYR154D, TYR157A, TYR157D, TYR199A, TYR203A, TYR203D, VAL108A, VAL112A, VAL132A, VAL160A, VAL165D, VAL172D, VAL173D, VAL207D, VAL239A, VAL239D
• A-R: ALA120A, ALA20R, ALA223A, ALA225A, ARG181A, ARG186A, ARG189A, ARG222A, ARG27R, ASN224A, ASN31R, ASP121A, ASP123A, ASP15R, ASP164A, CYS187A, CYS202A, CYS24R, CYS28R, CYS37R, GLN171A, GLN25R, GLN38R, GLY170A, HIS163A, HIS19R, ILE188A, ILE220A, ILE22R, LEU17R, LEU18R, LEU26R, LEU35R, LYS119A, LYS219A, LYS226A, MET169A, MET191A, PHE14R, PHE162A, PHE167A, PHE185A, PRO192A, PRO195A, PRO221A, PRO23R, PRO33R, PRO34R, SER118A, SER122A, SER16R, SER190A, SER193A, SER29R, SER30R, THR125A, THR166A, THR168A, THR183A, THR32R, THR36R, TYR13R, VAL124A, VAL165A, VAL172A, VAL173A
• A-T: ALA198A, ALA20T, ARG197A, ARG27T, ASN200A, ASP15T, ASP194A, ASP196A, CYS21T, GLN25T, HIS163A, HIS19T, HIS232A, ILE22T, LEU161A, LEU17T, LEU18T, LEU26T, PHE162A, PRO195A, PRO231A, PRO23T, SER16T, SER201A, SER228A, SER230A, SER29T, TYR199A
• B-D: ALA198D, ALA205B, ALA205D, ARG134D, ARG135D, ARG186B, ARG189B, ARG189D, ARG197D, ARG222B, ASN200B, ASN200D, ASP164D, ASP194B, 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, LEU236D, 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, 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-R: ALA198B, ALA20R, ARG197B, ARG27R, ASN200B, ASP15R, ASP194B, ASP196B, CYS21R, CYS28R, GLN25R, HIS163B, HIS19R, HIS232B, ILE22R, LEU161B, LEU17R, LEU18R, LEU26R, PHE162B, PRO195B, PRO23R, SER16R, SER201B, SER228B, SER230B, SER29R, SER30R, TYR199B
• B-S: ALA120B, ALA20S, ALA223B, ALA225B, ARG181B, ARG186B, ARG189B, ARG222B, ARG27S, ASN224B, ASN31S, ASP121B, ASP123B, ASP15S, ASP164B, CYS187B, CYS202B, CYS21S, CYS24S, CYS28S, CYS37S, GLN171B, GLN25S, GLN38S, GLY170B, HIS163B, HIS19S, ILE188B, ILE220B, ILE22S, LEU17S, LEU18S, LEU26S, LEU35S, LYS119B, LYS219B, LYS226B, MET169B, MET191B, PHE14S, PHE162B, PHE167B, PHE185B, PRO195B, PRO221B, PRO23S, PRO33S, PRO34S, SER118B, SER122B, SER16S, SER174B, SER190B, SER193B, SER29S, SER30S, THR125B, THR166B, THR168B, THR183B, THR32S, THR36S, TYR13S, VAL124B, VAL165B, VAL172B, VAL173B
• D-S: ALA198D, ALA20S, ARG197D, ARG27S, ASN200D, ASP15S, ASP194D, ASP196D, CYS21S, GLN25S, HIS163D, HIS19S, HIS232D, ILE22S, LEU161D, LEU17S, LEU18S, LEU26S, PHE14S, PHE162D, PRO195D, PRO23S, SER16S, SER201D, SER228D, SER230D, SER29S, TYR199D
• D-T: ALA120D, ALA20T, ALA223D, ALA225D, ARG181D, ARG186D, ARG189D, ARG222D, ARG27T, ASN224D, ASN31T, ASP121D, ASP123D, ASP15T, ASP164D, CYS187D, CYS202D, CYS21T, CYS24T, CYS28T, CYS37T, GLN171D, GLN25T, GLY170D, HIS163D, HIS19T, ILE188D, ILE220D, ILE22T, LEU17T, LEU18T, LEU26T, LEU35T, LYS119D, LYS219D, LYS226D, MET169D, PHE14T, PHE162D, PHE167D, PHE185D, PRO192D, PRO195D, PRO221D, PRO23T, PRO33T, PRO34T, SER118D, SER122D, SER16T, SER190D, SER193D, SER29T, SER30T, THR166D, THR168D, THR183D, THR32T, THR36T, TYR13T, VAL124D, VAL165D, VAL172D, VAL173D