2C1D

crystal structure of soxxa from p. pantotrophus

• Total interactions analyzed: 28
• Total true interactions: 6
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 102
  • Norm. En. per Res.: -5.5768
• Hub Node: C(2)

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	-119.1418	-57.819	-391.09	-568.0508	102	14	4	13759	3	18	20
C-D	-117.5201	-58.8136	-391.062	-567.3956	103	14	4	13714	3	18	20
C-G	-40.4162	25.6284	-96.7067	-111.4945	70	4	0	3651	8	26	23
E-F	-119.5932	-57.523	-391.717	-568.8332	102	14	4	13763	3	19	20
E-H	0.0	0.0	-13.6826	-13.6826	28	0	0	897	0	6	9
G-H	-119.0783	-55.8111	-390.888	-565.7774	102	14	4	13779	3	18	20

Interface residues

• A-B: ALA113B, ALA131B, ALA137B, ALA207A, ALA214A, ALA220A, ALA257A, ALA57B, ALA63B, ALA80B, ARG122B, ARG198A, ARG219A, ARG253A, ARG256A, ASN101B, ASN208A, ASN213A, ASN216A, ASN56B, ASN60B, ASP118B, ASP125B, ASP212A, ASP221A, ASP254A, ASP266A, ASP27A, ASP72B, CYS209A, CYS61B, CYS64B, GLN201A, GLN66B, GLU107B, GLU134B, GLU203A, GLU258A, GLU74B, GLY108B, GLY119B, GLY124B, GLY126B, GLY129B, GLY132B, GLY200A, GLY215A, GLY250A, GLY59B, GLY77B, HIS210A, HIS222A, HIS65B, ILE139B, ILE194A, ILE218A, ILE79B, LEU136B, LEU140B, LEU202A, LEU223A, LEU58B, LYS103B, LYS116B, LYS130B, LYS261A, MET111B, MET204A, MET217A, MET53B, PHE106B, PHE110B, PHE114B, PHE120B, PHE127B, PHE260A, PHE267A, PHE75B, PRO112B, PRO123B, PRO135B, PRO138B, PRO25B, PRO76B, SER128B, SER205A, SER264A, THR109B, THR197A, THR255A, THR259A, THR54B, THR55B, THR78B, TYR115B, TYR199A, VAL117B, VAL121B, VAL249A, VAL252A, VAL62B, VAL73B
• C-D: ALA113D, ALA131D, ALA137D, ALA207C, ALA214C, ALA220C, ALA257C, ALA57D, ALA63D, ALA80D, ARG122D, ARG198C, ARG219C, ARG253C, ARG256C, ASN101D, ASN208C, ASN213C, ASN216C, ASN56D, ASN60D, ASP118D, ASP125D, ASP212C, ASP221C, ASP254C, ASP266C, ASP27C, ASP72D, CYS209C, CYS61D, CYS64D, GLN201C, GLN66D, GLU107D, GLU134D, GLU193C, GLU203C, GLU258C, GLU74D, GLY108D, GLY119D, GLY124D, GLY126D, GLY129D, GLY132D, GLY200C, GLY215C, GLY250C, GLY59D, GLY77D, HIS210C, HIS222C, HIS65D, ILE139D, ILE194C, ILE218C, ILE79D, LEU136D, LEU140D, LEU202C, LEU223C, LEU58D, LYS103D, LYS116D, LYS130D, LYS261C, MET111D, MET204C, MET217C, MET53D, PHE106D, PHE110D, PHE114D, PHE120D, PHE127D, PHE260C, PHE267C, PHE75D, PRO112D, PRO123D, PRO135D, PRO138D, PRO25D, PRO76D, SER128D, SER205C, SER264C, THR109D, THR197C, THR255C, THR259C, THR54D, THR55D, THR78D, TYR115D, TYR199C, VAL117D, VAL121D, VAL249C, VAL252C, VAL62D, VAL73D
• C-G: ALA107C, ALA107G, ALA117C, ALA117G, ALA142C, ALA142G, ARG120C, ARG120G, ARG125C, ARG125G, ARG147C, ARG147G, ASN102G, ASN177C, ASN177G, ASP127C, ASP127G, CYS106C, CYS106G, CYS109C, CYS109G, CYS143C, CYS143G, GLN111C, GLN111G, GLN170C, GLN170G, GLU114C, GLU114G, GLU128C, GLU128G, GLU146C, GLU146G, GLY112G, GLY118C, GLY118G, GLY131C, GLY131G, HIS110C, HIS110G, HIS129C, HIS129G, ILE167C, ILE167G, LEU119C, LEU119G, LYS179C, LYS179G, MET116C, MET116G, MET123C, MET123G, MET136C, MET136G, MET148G, MET174C, MET174G, PRO113C, PRO113G, SER108C, SER108G, SER115C, SER115G, SER171C, THR130C, THR130G, TYR139C, TYR139G, VAL122C, VAL122G
• E-F: ALA113F, ALA131F, ALA137F, ALA207E, ALA214E, ALA220E, ALA257E, ALA57F, ALA63F, ALA80F, ARG122F, ARG198E, ARG219E, ARG253E, ARG256E, ASN101F, ASN208E, ASN213E, ASN216E, ASN56F, ASN60F, ASP118F, ASP125F, ASP212E, ASP221E, ASP254E, ASP266E, ASP27E, ASP72F, CYS209E, CYS61F, CYS64F, GLN201E, GLN66F, GLU107F, GLU134F, GLU193E, GLU203E, GLU258E, GLU74F, GLY108F, GLY119F, GLY124F, GLY126F, GLY129F, GLY132F, GLY200E, GLY215E, GLY250E, GLY77F, HIS210E, HIS222E, HIS65F, ILE139F, ILE194E, ILE218E, ILE79F, LEU136F, LEU140F, LEU202E, LEU223E, LEU58F, LYS103F, LYS116F, LYS130F, LYS261E, MET111F, MET204E, MET217E, MET53F, PHE106F, PHE110F, PHE114F, PHE120F, PHE127F, PHE260E, PHE267E, PHE75F, PRO112F, PRO123F, PRO135F, PRO138F, PRO25F, PRO76F, SER128F, SER205E, SER264E, THR109F, THR197E, THR255E, THR259E, THR54F, THR55F, THR78F, TYR115F, TYR199E, VAL117F, VAL121F, VAL249E, VAL252E, VAL62F, VAL73F
• E-H: ALA34H, ALA93H, ALA97E, ALA98E, ARG89H, ASN102E, ASN159E, ASP88H, GLN94H, GLU104E, GLU151E, GLU32H, GLU36H, GLU92H, GLY100E, GLY103E, GLY149E, GLY87H, LEU150E, LYS156H, LYS94E, MET148E, MET99E, THR91H, TRP90H, VAL101E, VAL153H, VAL31H
• G-H: ALA113H, ALA131H, ALA137H, ALA207G, ALA214G, ALA220G, ALA257G, ALA57H, ALA63H, ALA80H, ARG122H, ARG198G, ARG219G, ARG253G, ARG256G, ASN101H, ASN208G, ASN213G, ASN216G, ASN56H, ASN60H, ASP118H, ASP125H, ASP212G, ASP221G, ASP254G, ASP266G, ASP27G, ASP72H, CYS209G, CYS61H, CYS64H, GLN201G, GLN66H, GLU107H, GLU134H, GLU193G, GLU203G, GLU258G, GLU74H, GLY108H, GLY119H, GLY124H, GLY126H, GLY129H, GLY132H, GLY200G, GLY215G, GLY250G, GLY77H, HIS210G, HIS222G, HIS65H, ILE139H, ILE194G, ILE218G, ILE79H, LEU136H, LEU140H, LEU202G, LEU223G, LEU58H, LYS103H, LYS116H, LYS130H, LYS261G, MET111H, MET204G, MET217G, MET53H, PHE106H, PHE110H, PHE114H, PHE120H, PHE127H, PHE260G, PHE267G, PHE75H, PRO112H, PRO123H, PRO135H, PRO138H, PRO25H, PRO76H, SER128H, SER205G, SER264G, THR109H, THR197G, THR255G, THR259G, THR54H, THR55H, THR78H, TYR115H, TYR199G, VAL117H, VAL121H, VAL249G, VAL252G, VAL62H, VAL73H