2PY2

structure of herring type ii antifreeze protein

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 87
  • Norm. En. per Res.: -3.7471
• Hub Node: B(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-C	0.0	19.3609	-22.9073	-3.5464	27	8	2	1570	0	6	4
A-E	-22.3621	-76.2736	-58.2016	-156.8372	54	6	1	2574	12	14	7
B-C	-27.6904	-81.5234	-216.78	-325.9938	87	6	2	8614	4	10	13
B-D	0.0	0.0	-0.2964	-0.2964	13	0	0	80	0	2	1
B-F	-11.7159	28.4453	-82.5939	-65.8645	39	2	0	3053	0	12	15
C-D	0.0	-2.6723	-11.0938	-13.7661	19	0	0	676	1	3	5
C-E	0.0	0.0	-0.0031	-0.0031	2	0	0	2	0	0	0
D-E	-10.5991	30.4688	-91.2656	-71.3959	41	11	0	3308	0	13	15

Interface residues

• A-C: ALA57A, ALA57C, ASN19C, ASP58A, ASP58C, GLN22A, GLU53C, ILE60A, ILE60C, LEU21A, LEU21C, LEU54C, LEU59A, LEU59C, LYS110A, PHE18A, PHE18C, PRO20A, PRO20C, PRO61A, PRO61C, SER122A, SER122C, SER56A, SER56C, THR55A, THR55C
• A-E: ALA90A, ALA90E, ALA91A, ALA91E, ASN105A, ASN113A, ASN113E, ASP114A, ASP114E, ASP58A, ASP58E, ASP94A, ASP94E, GLN103A, GLN103E, GLN22A, GLN22E, GLN92A, GLN92E, GLU99A, GLU99E, GLY107A, GLY107E, GLY109A, GLY109E, HIS119A, HIS119E, HIS121A, HIS121E, ILE108A, ILE108E, LEU120A, LEU120E, LEU97A, LEU97E, LYS110A, LYS110E, PRO116A, PRO116E, PRO61A, PRO93A, PRO93E, THR115A, THR115E, THR118A, THR118E, THR95A, THR95E, THR96A, THR96E, THR98A, THR98E, VAL106A, VAL106E
• B-C: ALA26B, ALA26C, ALA28B, ALA28C, ALA37B, ALA37C, ARG74B, ARG74C, ASN38B, ASN38C, ASP27B, ASP27C, ASP68B, ASP68C, ASP79B, ASP79C, CYS100B, CYS100C, CYS101B, CYS101C, CYS117B, CYS117C, CYS32B, CYS32C, CYS69B, CYS69C, GLN29B, GLN29C, GLN70B, GLN70C, GLU30B, GLU30C, GLY36B, GLY36C, GLY65B, GLY65C, GLY66B, GLY66C, HIS119B, HIS119C, HIS24B, HIS24C, ILE102B, ILE102C, LEU120C, LEU39B, LEU39C, LEU97B, LEU97C, MET33B, MET33C, MET78B, MET78C, MET83B, MET83C, PHE76B, PHE76C, PRO116B, PRO116C, SER31B, SER31C, SER72B, SER72C, SER80B, SER80C, SER82B, SER82C, THR118B, THR118C, THR67B, THR67C, THR73B, THR73C, THR81B, THR81C, THR98B, THR98C, TRP25B, TRP25C, TRP63B, TRP63C, TRP75B, TRP75C, TRP77B, TRP77C, VAL71B, VAL71C
• B-D: ARG74B, GLN22D, GLY107D, HIS119D, HIS121D, ILE108D, LEU120D, LEU97B, PRO61D, SER72B, THR96B, THR98B, VAL71B
• B-F: ALA57B, ARG14B, ARG14F, ASN12B, ASN12F, CYS4F, GLU46B, GLU46F, GLU47B, GLU47F, GLU53B, GLU53F, GLY13B, GLY13F, LEU129B, LEU129F, LEU45B, LEU45F, LEU54B, LEU54F, LYS52B, LYS52F, LYS9B, LYS9F, MET10B, MET10F, PHE11B, PHE11F, PHE16B, PHE50B, PHE50F, SER44B, SER44F, SER48B, SER48F, THR49B, THR49F, VAL51B, VAL51F
• C-D: ALA57D, ASP27C, ASP58D, GLN22D, GLU99C, GLY107D, HIS119C, HIS24C, ILE108D, ILE60D, LEU120C, LEU59D, LYS110D, PRO116C, PRO61D, SER56D, THR115C, THR118C, THR98C
• C-E: ASP58C, ILE108E
• D-E: ALA57D, ARG14D, ARG14E, ASN12D, ASN12E, CYS15D, CYS4D, CYS4E, GLU46D, GLU46E, GLU47D, GLU47E, GLU53D, GLU53E, GLY13D, GLY13E, LEU129D, LEU129E, LEU45D, LEU45E, LEU54D, LEU54E, LYS52D, LYS52E, LYS9D, LYS9E, MET10D, MET10E, PHE11D, PHE11E, PHE16D, PHE50D, PHE50E, SER44D, SER44E, SER48D, SER48E, THR49D, THR49E, VAL51D, VAL51E