3P4G

x-ray crystal structure of a hyperactive, ca2+-dependent, beta-helical antifreeze protein from an antarctic bacterium

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 104
  • Norm. En. per Res.: -2.4077
• Hub Node: A(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-B	-51.7045	71.5207	-370.248	-350.4318	166	18	3	15441	0	18	104
A-C	-62.8401	9.2312	-196.794	-250.4028	104	12	0	9018	2	12	68
A-D	0.0	2.5825	-21.4639	-18.8814	34	0	0	1171	0	1	5
B-C	0.0	9.9582	-22.8057	-12.8475	36	0	1	971	0	7	7
C-D	-39.7137	13.5826	-177.641	-203.7721	92	14	0	6593	0	1	52

Interface residues

• A-B: ALA117B, ALA136B, ALA155B, ALA272B, ALA318A, ALA321A, ALA35B, ALA54B, ALA75B, ALA98B, ARG307A, ASN102A, ASN102B, ASN121A, ASN140A, ASN140B, ASN142A, ASN154B, ASN159A, ASN159B, ASN161A, ASN173B, ASN178A, ASN178B, ASN218A, ASN218B, ASN237A, ASN237B, ASN274B, ASN37A, ASN37B, ASN38A, ASN38B, ASN39A, ASN51B, ASN83A, ASN83B, ASP103A, ASP116B, ASP122A, ASP135B, ASP139A, ASP139B, ASP141A, ASP160A, ASP177A, ASP177B, ASP179A, ASP196B, ASP199A, ASP199B, ASP200A, ASP200B, ASP213B, ASP219A, ASP219B, ASP238A, ASP258A, ASP258B, ASP259A, ASP277A, ASP277B, ASP278A, ASP319A, ASP322A, ASP34B, ASP56A, ASP56B, ASP57A, ASP57B, ASP78B, ASP84A, ASP97B, GLN232B, GLN85A, GLU104A, GLU123A, GLU182A, GLU275B, GLU304A, GLY101A, GLY101B, GLY118B, GLY120A, GLY120B, GLY137B, GLY156B, GLY158A, GLY158B, GLY175B, GLY198A, GLY198B, GLY214B, GLY215B, GLY217A, GLY217B, GLY233B, GLY234B, GLY236A, GLY236B, GLY255B, GLY257B, GLY273B, GLY276B, GLY315A, GLY55A, GLY55B, GLY80B, GLY82A, GLY82B, GLY99B, HIS305A, ILE105A, ILE143A, ILE163A, ILE221A, ILE222A, ILE239A, ILE262A, ILE280A, LEU162A, LEU194B, LEU195A, LEU195B, LEU202A, LEU203A, LEU254A, LEU254B, LEU261A, LEU53B, LEU86A, LYS58A, LYS95B, MET174A, MET174B, MET79A, MET79B, PHE320A, PHE33B, PRO317A, SER201A, SER253B, SER279A, SER316A, SER36A, SER36B, THR100B, THR119B, THR138B, THR157B, THR176B, THR180A, THR197B, THR216B, THR220A, THR235B, THR256B, THR81B, TYR323A, VAL124A, VAL181A, VAL240A, VAL260A, VAL312A, VAL40A, VAL59A
• A-C: ALA117A, ALA136A, ALA155A, ALA32A, ALA35A, ALA54A, ALA75A, ALA98A, ASN102A, ASN102C, ASN121A, ASN121C, ASN140A, ASN140C, ASN142C, ASN154A, ASN159A, ASN159C, ASN161C, ASN173A, ASN178A, ASN178C, ASN37C, ASN38C, ASN39C, ASN51A, ASN83C, ASP103C, ASP116A, ASP122C, ASP135A, ASP139A, ASP139C, ASP141C, ASP160C, ASP177A, ASP177C, ASP179C, ASP196A, ASP199A, ASP199C, ASP200C, ASP34A, ASP56C, ASP57C, ASP78A, ASP84C, ASP97A, GLN85C, GLU104C, GLU123C, GLY101A, GLY101C, GLY118A, GLY120A, GLY120C, GLY137A, GLY156A, GLY158A, GLY158C, GLY175A, GLY198A, GLY217A, GLY55A, GLY55C, GLY80A, GLY82A, GLY82C, GLY99A, HIS23C, ILE105C, ILE143C, ILE21C, LEU162C, LEU194A, LEU195A, LEU53A, LEU86C, LYS58C, LYS95A, MET174A, MET79A, MET79C, PHE33A, SER201C, SER36A, SER36C, SER60C, THR100A, THR119A, THR138A, THR157A, THR176A, THR180C, THR197A, THR216A, THR220C, THR81A, TYR106C, VAL124C, VAL181C, VAL40C, VAL59C, VAL74A
• A-D: ALA189A, ALA318D, ALA71A, ALA72A, ASN140D, ASN142D, ASN159D, ASN161D, ASN178D, ASN73A, ASP141D, ASP160D, ASP179D, ASP199D, ASP200D, ASP319D, GLN144D, GLU123D, GLU182D, GLU211A, GLY10D, ILE143D, ILE163D, LEU162D, LEU69A, LYS192A, PHE320D, PHE9D, SER190A, SER201D, THR180D, VAL181D, VAL70A, VAL74A
• B-C: ALA114B, ALA152B, ALA41C, ALA71B, ALA72B, ASN154B, ASN39C, ASN73B, ASP133B, ASP26C, ASP62C, GLN144C, GLU211B, GLY170B, GLY44C, HIS23C, HIS27C, ILE171B, LEU194B, LEU69B, LYS108C, LYS192B, LYS58C, LYS95B, PHE25C, SER190B, SER24C, SER60C, THR22C, THR43C, TYR106C, TYR125C, TYR87C, VAL42C, VAL70B, VAL74B
• C-D: ALA35C, ALA35D, ALA54C, ALA54D, ASN102C, ASN102D, ASN121C, ASN121D, ASN140C, ASN140D, ASN159C, ASN159D, ASN178C, ASN178D, ASN218C, ASN218D, ASN237C, ASN237D, ASN37D, ASN38D, ASN83D, ASP103D, ASP122D, ASP135C, ASP139C, ASP139D, ASP141D, ASP160D, ASP177C, ASP177D, ASP179D, ASP196C, ASP199C, ASP199D, ASP200D, ASP258C, ASP258D, ASP34C, ASP34D, ASP56D, ASP57D, ASP84D, GLU275C, GLY101C, GLY101D, GLY118C, GLY120C, GLY120D, GLY137C, GLY156C, GLY158C, GLY158D, GLY175C, GLY198C, GLY198D, GLY215C, GLY217C, GLY217D, GLY234C, GLY236C, GLY236D, GLY255C, GLY257C, GLY257D, GLY55C, GLY55D, GLY80C, GLY82C, GLY82D, GLY99C, LEU53C, LEU53D, SER36C, SER36D, THR100C, THR100D, THR119C, THR119D, THR138C, THR138D, THR157C, THR157D, THR176C, THR176D, THR197C, THR197D, THR216C, THR216D, THR235C, THR256C, THR81C, THR81D