2D3P

cratylia floribunda seed lectin crystallized at basic ph

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 105
  • Norm. En. per Res.: -3.8688
• 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	-73.8828	-8.2785	-280.112	-362.2733	111	21	8	12237	0	20	20
A-C	0.0	0.0	-3.4495	-3.4495	11	0	1	259	0	0	2
A-D	-39.3457	-17.248	-246.268	-302.8617	143	21	7	12348	3	20	18
B-C	-48.1533	-18.5743	-224.469	-291.1966	140	20	7	12615	5	20	18
B-D	0.0	0.0	-2.06	-2.06	9	3	1	265	0	0	2
C-D	-78.5942	-9.5144	-318.117	-406.2256	105	17	6	11758	0	19	20

Interface residues

• A-B: ALA121A, ALA121B, ALA123A, ALA123B, ALA176A, ALA176B, ALA185A, ALA185B, ARG90A, ARG90B, ASN118A, ASN118B, ASN131A, ASN131B, ASN136A, ASN136B, ASP122A, ASP122B, ASP139A, ASP139B, ASP149A, ASP149B, ASP151A, ASP151B, ASP182A, ASP182B, ASP217B, GLN124A, GLN124B, GLN132A, GLN132B, GLN135A, GLN135B, GLU87A, GLU87B, GLY152A, GLY152B, HIS127A, HIS127B, HIS179A, HIS179B, ILE141A, ILE141B, LEU115A, LEU115B, LEU126A, LEU126B, LEU140A, LEU140B, LYS114A, LYS114B, LYS116A, LYS116B, LYS138A, LYS138B, LYS183A, LYS183B, PHE111A, PHE111B, PHE128A, PHE128B, PHE130A, PHE130B, PHE133A, PHE133B, PRO137A, PRO137B, PRO177A, PRO177B, PRO86A, PRO86B, SER108A, SER108B, SER110A, SER110B, SER113A, SER113B, SER119A, SER119B, SER125A, SER125B, SER134A, SER134B, SER150A, SER150B, SER184A, SER184B, THR112A, THR112B, THR117A, THR117B, THR120A, THR120B, THR129A, THR129B, THR216A, THR216B, TRP109A, TRP109B, TRP181A, TRP181B, TRP88A, TRP88B, TYR174A, TYR174B, TYR175A, TYR175B, VAL178A, VAL178B, VAL89A, VAL89B
• A-C: ALA121A, ALA121C, ASN131A, ASN131C, ASP122A, ASP122C, GLN124C, SER119A, SER119C, THR120A, THR120C
• A-D: ALA121A, ALA121D, ALA123A, ALA123D, ALA185A, ALA185D, ALA188A, ALA188D, ALA192A, ALA192D, ALA50A, ALA50D, ALA58A, ALA58D, ALA63A, ALA63D, ALA73A, ALA73D, ARG60A, ARG60D, ASN118A, ASN118D, ASN131A, ASN131D, ASN55A, ASN55D, ASP122A, ASP122D, ASP191A, ASP191D, ASP78A, ASP78D, GLN132A, GLN132D, GLY48A, GLY48D, GLY69A, GLY69D, GLY70A, GLY70D, HIS127A, HIS127D, HIS51A, HIS51D, ILE106D, ILE25A, ILE25D, ILE27A, ILE27D, ILE52A, ILE52D, ILE64A, ILE64D, LEU107A, LEU107D, LEU115D, LEU61A, LEU61D, LYS114A, LYS114D, LYS116A, LYS116D, LYS183A, LYS183D, LYS59A, LYS59D, PHE111A, PHE111D, PHE128A, PHE128D, PHE130A, PHE130D, PHE133D, PHE190A, PHE190D, PHE194A, PHE194D, PHE196D, PRO68A, PRO68D, SER108A, SER108D, SER110A, SER110D, SER119A, SER119D, SER184A, SER184D, SER189A, SER189D, SER53A, SER53D, SER56A, SER56D, SER62A, SER62D, SER66A, SER66D, SER71A, SER71D, SER72A, SER72D, SER76A, SER76D, THR112A, THR112D, THR117A, THR117D, THR120A, THR120D, THR129A, THR129D, THR193A, THR193D, THR195A, THR195D, THR49A, THR49D, THR74A, THR74D, TRP109A, TRP109D, TRP181A, TYR54A, TYR54D, TYR67A, TYR67D, TYR77A, TYR77D, VAL186A, VAL186D, VAL187A, VAL187D, VAL47A, VAL47D, VAL57A, VAL57D, VAL65A, VAL65D, VAL75A, VAL75D, VAL79A, VAL79D
• B-C: ALA121B, ALA121C, ALA123C, ALA185B, ALA185C, ALA188B, ALA188C, ALA192B, ALA192C, ALA50B, ALA50C, ALA58B, ALA58C, ALA63B, ALA63C, ALA73B, ALA73C, ARG60B, ARG60C, ASN118B, ASN118C, ASN131B, ASN131C, ASN55B, ASN55C, ASP122B, ASP122C, ASP191B, ASP191C, ASP78B, ASP78C, GLN132B, GLY48B, GLY48C, GLY69B, GLY69C, GLY70B, GLY70C, HIS127B, HIS127C, HIS51B, HIS51C, ILE106B, ILE25B, ILE25C, ILE27B, ILE27C, ILE52B, ILE52C, ILE64B, ILE64C, LEU107B, LEU107C, LEU115C, LEU61B, LEU61C, LYS114B, LYS114C, LYS116B, LYS116C, LYS183B, LYS59B, LYS59C, PHE111B, PHE111C, PHE128B, PHE128C, PHE130B, PHE130C, PHE133B, PHE190B, PHE190C, PHE194B, PHE194C, PHE196C, PRO68B, PRO68C, SER108B, SER108C, SER110B, SER110C, SER119B, SER119C, SER184B, SER184C, SER189B, SER189C, SER53B, SER53C, SER56B, SER56C, SER62B, SER62C, SER66B, SER66C, SER71B, SER71C, SER72B, SER72C, SER76B, SER76C, THR112B, THR112C, THR117B, THR117C, THR120B, THR120C, THR129B, THR129C, THR193B, THR193C, THR195B, THR195C, THR49B, THR49C, THR74B, THR74C, TRP109B, TRP109C, TRP181B, TYR54B, TYR54C, TYR67B, TYR67C, TYR77B, TYR77C, VAL186B, VAL186C, VAL187B, VAL187C, VAL47B, VAL47C, VAL57B, VAL57C, VAL65B, VAL65C, VAL75B, VAL75C, VAL79B, VAL79C
• B-D: ALA121B, ALA121D, ASP122B, ASP122D, GLN124B, SER119B, SER119D, THR120B, THR120D
• C-D: ALA121C, ALA121D, ALA123C, ALA123D, ALA176C, ALA176D, ALA185C, ALA185D, ARG90C, ARG90D, ASN118C, ASN118D, ASN131C, ASN131D, ASN136C, ASN136D, ASP122C, ASP122D, ASP139C, ASP139D, ASP182C, ASP182D, GLN124C, GLN124D, GLN132C, GLN132D, GLN135C, GLN135D, GLU87C, GLU87D, GLY152C, HIS127C, HIS127D, HIS179C, HIS179D, ILE141C, ILE141D, LEU115C, LEU115D, LEU126C, LEU126D, LEU140C, LEU140D, LYS114C, LYS114D, LYS116C, LYS116D, LYS138C, LYS138D, LYS183D, PHE111C, PHE111D, PHE128C, PHE128D, PHE130C, PHE130D, PHE133C, PHE133D, PRO137C, PRO137D, PRO177C, PRO177D, PRO86C, PRO86D, SER108C, SER108D, SER110C, SER110D, SER113C, SER113D, SER119C, SER119D, SER125C, SER125D, SER134C, SER134D, SER150C, SER184C, SER184D, THR112C, THR112D, THR117C, THR117D, THR120C, THR120D, THR129C, THR129D, THR148C, THR216C, THR216D, TRP109C, TRP109D, TRP181C, TRP181D, TRP88C, TRP88D, TYR174C, TYR174D, TYR175C, TYR175D, VAL178C, VAL178D, VAL186C, VAL89C, VAL89D