2NR6

crystal structure of the complex of antibody and the allergen bla g 2

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 55
  • Norm. En. per Res.: -4.9103
• 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	-29.6978	0.0	-241.021	-270.7188	111	13	7	10496	0	22	8
A-C	-28.1643	-2.7832	-130.775	-161.7225	50	7	1	4456	0	4	5
A-D	-42.5974	-99.5564	-127.91	-270.0638	55	4	0	4604	7	17	23
A-E	0.0	0.0	-9.1244	-9.1244	20	0	0	522	0	1	1
B-C	0.0	0.0	-6.7414	-6.7414	16	0	0	396	0	0	1
B-E	-36.721	-4.7943	-124.523	-166.0384	47	6	1	4551	0	4	4
B-F	-29.3278	-98.5739	-124.481	-252.3827	55	4	0	4562	7	18	23
C-D	-34.57	-29.0122	-422.043	-485.6252	180	10	6	16912	2	17	14
E-F	-10.7827	-23.078	-403.224	-437.0847	177	9	6	16140	1	15	14

Interface residues

• A-B: ALA117A, ALA117B, ALA15B, ALA219A, ALA219B, ALA49A, ALA49B, ALA80A, ALA80B, ARG242A, ARG242B, ARG243A, ARG243B, ARG83A, ARG83B, ASN278A, ASN278B, ASN280A, ASN280B, ASN52A, ASN52B, ASN70A, ASN70B, ASN7A, ASN7B, ASP105A, ASP105B, CYS113A, CYS113B, CYS282A, CYS282B, CYS45A, CYS45B, CYS50A, CYS50B, CYS51A, CYS51B, GLN110A, GLN110B, GLN13A, GLN13B, GLN276A, GLN276B, GLN277A, GLN277B, GLN43A, GLN43B, GLN72A, GLN72B, GLU106A, GLU106B, GLU111A, GLU111B, GLU240A, GLU240B, GLU44A, GLU44B, GLY279A, GLY279B, GLY47A, GLY47B, GLY48A, GLY48B, ILE114A, ILE114B, ILE244A, ILE244B, LEU103B, LEU107A, LEU107B, LEU115A, LEU115B, LEU281A, LEU281B, LEU28A, LEU28B, LEU53A, LEU53B, LEU59B, LYS241A, LYS241B, LYS246A, LYS246B, LYS55A, LYS55B, PRO51A, PRO51B, PRO61B, SER109A, SER109B, SER116A, SER116B, SER42A, SER42B, SER79A, SER79B, THR242A, THR242B, THR8A, THR8B, TYR283A, TYR283B, TYR66A, TYR66B, VAL46A, VAL46B, VAL51A, VAL51B, VAL73A, VAL81A, VAL81B
• A-C: ALA32C, ALA34C, ALA51C, ARG54C, ARG83A, ASN70A, ASN93C, ASP105A, ASP68A, ASP87A, GLN89C, GLN90C, GLN96C, GLN98A, GLU44A, GLU86A, GLY66C, GLY68C, GLY69A, GLY84A, HIS91C, ILE28C, ILE2C, ILE67A, ILE85A, LEU103A, LEU59A, LYS58A, LYS60A, LYS65A, PHE71C, PRO61A, PRO95C, SER30C, SER42A, SER50C, SER52C, SER65C, SER67C, SER68A, SER94C, THR31C, THR97C, TYR36C, TYR49C, TYR53C, TYR66A, TYR92C, VAL29C, VAL33C
• A-D: ALA130A, ALA54D, ARG101D, ARG50D, ARG59D, ARG83A, ASN129A, ASN139A, ASN28D, ASN55D, ASN57D, ASN70A, ASP100A, ASP31D, ASP52D, ASP68A, ASP87A, GLN102D, GLN72A, GLN98A, GLN99A, GLU86A, GLY133A, GLY49D, GLY56D, GLY69A, GLY82A, GLY84A, HIS35D, ILE101A, ILE29D, ILE34D, ILE51D, ILE67A, ILE85A, LEU131A, LYS132A, LYS134A, LYS30D, LYS65A, MET103D, PRO128A, PRO53D, SER68A, SER97A, THR32D, THR96A, TRP47D, TRP99D, TYR33D, TYR66A, VAL100D, VAL71A, VAL73A, VAL81A
• A-E: ASN280A, ASN93E, ASP248A, CYS249A, GLN277A, GLN27E, GLY279A, GLY68E, ILE28E, LEU247A, LEU281A, LYS246A, LYS251A, SER250A, SER26E, SER30E, THR31E, TYR92E, VAL238A, VAL29E
• B-C: ASN280B, ASN93C, ASP248B, CYS249B, GLN277B, GLN27C, GLY279B, GLY68C, ILE28C, LEU281B, LYS246B, SER250B, SER26C, SER30C, TYR92C, VAL29C
• B-E: ALA32E, ALA34E, ALA51E, ARG54E, ARG83B, ASN70B, ASN93E, ASP105B, ASP68B, GLN89E, GLN90E, GLN96E, GLN98B, GLU44B, GLU86B, GLY66E, GLY68E, GLY69B, GLY84B, HIS91E, ILE28E, ILE2E, ILE67B, ILE85B, LEU103B, LEU59B, LYS58B, LYS60B, LYS65B, PHE71E, PRO61B, PRO95E, SER30E, SER50E, SER52E, SER65E, SER67E, SER68B, SER94E, THR31E, THR97E, TYR49E, TYR53E, TYR66B, TYR92E, VAL29E, VAL33E
• B-F: ALA130B, ALA54F, ARG101F, ARG50F, ARG59F, ARG83B, ASN129B, ASN139B, ASN28F, ASN55F, ASN57F, ASN70B, ASP100B, ASP31F, ASP52F, ASP68B, ASP87B, GLN102F, GLN72B, GLN98B, GLN99B, GLU142B, GLU86B, GLY133B, GLY49F, GLY56F, GLY69B, GLY82B, GLY84B, HIS35F, ILE101B, ILE29F, ILE34F, ILE51F, ILE67B, ILE85B, LEU131B, LYS132B, LYS134B, LYS30F, LYS65B, MET103F, PRO128B, PRO53F, SER68B, SER97B, THR32F, THR96B, TRP47F, TRP99F, TYR33F, TYR66B, VAL100F, VAL71B, VAL81B
• C-D: ALA128D, ALA130C, ALA132D, ALA133D, ALA171D, ALA32C, ALA34C, ALA97D, ARG101D, ARG50D, ARG54C, ARG59D, ARG98D, ASN136D, ASN137C, ASN138C, ASN161C, ASN210C, ASN93C, ASP104D, ASP165C, ASP167C, ASP170C, ASP1C, CYS134C, CYS143D, CYS88C, CYS96D, GLN102D, GLN108D, GLN124C, GLN174D, GLN37C, GLN38C, GLN39D, GLN42C, GLN43D, GLN6C, GLN6D, GLN89C, GLN90C, GLN96C, GLU123C, GLU42D, GLU46D, GLY100C, GLY101C, GLY107D, GLY109D, GLY128C, GLY129C, GLY130D, GLY142D, GLY147D, GLY158C, GLY165D, GLY41C, GLY44D, GLY49D, GLY61D, GLY99C, HIS167D, HIS35D, HIS91C, ILE117C, ILE213D, ILE2D, ILE48C, ILE48D, LEU125C, LEU127D, LEU136C, LEU141D, LEU144D, LEU160C, LEU173D, LEU177D, LEU179C, LEU180D, LEU181C, LEU45D, LEU46C, LEU4D, LYS103C, LYS146D, LYS169C, LYS207C, LYS211D, LYS212D, LYS38D, LYS45C, LYS63D, LYS9C, MET103D, MET138D, MET175C, PHE118C, PHE135C, PHE139C, PHE169D, PHE209C, PHE64D, PHE95D, PHE98C, PRO119C, PRO120C, PRO126D, PRO129D, PRO170D, PRO40C, PRO44C, PRO62D, PRO95C, SER116C, SER121C, SER122C, SER123D, SER127C, SER131C, SER131D, SER162C, SER164D, SER174C, SER176C, SER177C, SER181D, SER182D, SER183D, SER208C, SER43C, SER50C, SER94C, THR114C, THR126C, THR140D, THR164C, THR168D, THR172C, THR178C, THR179D, THR180C, THR185D, THR56C, THR97C, TRP106D, TRP157D, TRP163C, TRP191D, TRP36D, TRP47D, TRP99D, TYR105D, TYR125D, TYR173C, TYR178D, TYR36C, TYR49C, TYR53C, TYR55C, TYR60D, TYR86C, TYR87C, TYR92C, VAL100D, VAL115C, VAL124D, VAL132C, VAL133C, VAL139D, VAL145D, VAL159C, VAL166D, VAL172D, VAL184D, VAL209D, VAL33C, VAL37D, VAL3C, VAL85C, VAL93D
• E-F: ALA128F, ALA130E, ALA132F, ALA133F, ALA171F, ALA32E, ALA34E, ALA97F, ARG101F, ARG40F, ARG50F, ARG54E, ARG59F, ARG98F, ASN136F, ASN137E, ASN138E, ASN161E, ASN210E, ASN93E, ASP104F, ASP165E, ASP167E, ASP170E, ASP1E, CYS134E, CYS143F, CYS88E, CYS96F, GLN102F, GLN108F, GLN124E, GLN174F, GLN37E, GLN38E, GLN39F, GLN42E, GLN43F, GLN6F, GLN89E, GLN90E, GLN96E, GLU123E, GLU42F, GLU46F, GLY100E, GLY101E, GLY107F, GLY109F, GLY128E, GLY129E, GLY130F, GLY142F, GLY158E, GLY165F, GLY41E, GLY44F, GLY49F, GLY61F, GLY99E, HIS167F, HIS35F, HIS91E, ILE117E, ILE213F, ILE2F, ILE48E, ILE48F, LEU125E, LEU127F, LEU136E, LEU141F, LEU144F, LEU160E, LEU173F, LEU177F, LEU179E, LEU180F, LEU181E, LEU45F, LEU46E, LEU47E, LYS146F, LYS169E, LYS207E, LYS211F, LYS212F, LYS38F, LYS39E, LYS45E, LYS63F, LYS9E, MET103F, MET138F, MET175E, PHE118E, PHE135E, PHE139E, PHE169F, PHE209E, PHE64F, PHE95F, PHE98E, PRO119E, PRO120E, PRO126F, PRO129F, PRO170F, PRO44E, PRO62F, PRO95E, SER116E, SER121E, SER122E, SER123F, SER127E, SER131E, SER131F, SER162E, SER164F, SER174E, SER175F, SER176E, SER177E, SER181F, SER182F, SER183F, SER208E, SER43E, SER50E, SER94E, THR114E, THR126E, THR140F, THR164E, THR168F, THR172E, THR178E, THR179F, THR180E, THR185F, THR56E, THR97E, TRP106F, TRP157F, TRP163E, TRP191F, TRP36F, TRP47F, TRP99F, TYR105F, TYR125F, TYR173E, TYR178F, TYR36E, TYR49E, TYR53E, TYR55E, TYR60F, TYR86E, TYR87E, TYR92E, VAL100F, VAL115E, VAL124F, VAL132E, VAL133E, VAL139F, VAL145F, VAL159E, VAL166F, VAL172F, VAL184F, VAL33E, VAL37F, VAL85E, VAL93F