2CN2

crystal structures of clostridium thermocellum xyloglucanase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 36
  • Norm. En. per Res.: -1.1848
• 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	-22.4743	5.9042	-29.7063	-46.2764	40	2	0	1548	2	14	18
A-C	-12.4583	65.4792	-81.2333	-28.2124	88	2	0	4209	1	52	60
A-D	0.0	-0.646	-56.2564	-56.9023	62	0	2	2854	0	21	22
B-C	0.0	-2.2459	-61.6085	-63.8544	61	0	2	2870	0	19	22
B-D	-24.5	35.9969	-88.461	-76.9641	89	6	0	4469	2	52	56
C-D	0.0	-11.1402	-31.5136	-42.6538	36	3	0	1693	0	4	11

Interface residues

• A-B: ALA686A, ALA686B, ALA687A, ALA687B, ARG739A, ARG739B, ASP691A, ASP691B, GLN690A, GLN690B, GLU470A, GLU470B, GLU511A, GLU511B, GLU647A, GLU647B, GLY645A, GLY645B, GLY689A, GLY689B, HIS649A, HIS649B, LEU512A, LEU512B, LYS646A, LYS646B, LYS685A, LYS685B, PRO469A, PRO469B, PRO644A, PRO644B, PRO688A, PRO688B, TYR692A, TYR692B, VAL602A, VAL602B, VAL740A, VAL740B
• A-C: ALA389A, ALA390A, ALA759A, ARG113C, ARG134C, ARG138C, ARG172C, ARG337C, ARG424A, ARG719C, ARG743A, ARG76C, ASN112C, ASN171C, ASN421A, ASN438A, ASP107C, ASP110C, ASP137C, ASP170C, ASP386A, ASP41A, ASP423A, ASP437A, ASP487A, ASP488A, ASP63A, ASP63C, ASP722C, ASP723C, ASP78A, ASP78C, GLU140C, GLU143C, GLU451A, GLU61C, GLU724C, GLU82A, GLY139C, GLY234C, GLY456A, GLY46A, GLY47A, GLY492A, ILE387A, ILE85C, LEU489A, LEU64C, LEU87C, LYS39A, LYS449A, LYS453A, LYS490A, LYS494A, LYS62A, LYS62C, PHE420C, PRO108C, PRO111C, PRO391A, PRO79A, PRO79C, SER135C, SER35C, SER388A, SER760A, SER80A, SER80C, THR136C, THR141C, THR455A, THR60C, THR81A, THR81C, THR83A, THR83C, TRP142C, TRP77A, TRP77C, TYR190C, TYR66C, TYR755A, VAL109C, VAL192C, VAL44A, VAL452A, VAL491A, VAL704C
• A-D: ARG539A, ASN123D, ASN128D, ASN182D, ASN515A, ASN540A, ASN546A, ASN581A, ASN583A, ASN703D, ASP124D, ASP536A, ASP562A, ASP580A, ASP620A, ASP676D, ASP702D, ASP94D, GLN543A, GLU198D, GLU398A, GLU656D, GLU95D, GLY130D, GLY396A, GLY582A, ILE146D, LEU126D, LEU147D, LEU623A, LEU705D, LYS144D, LYS150D, LYS196D, LYS495A, LYS564A, LYS605A, LYS700D, PHE149D, PHE516A, PHE533A, PHE542A, PRO127D, PRO148D, PRO544A, PRO545A, SER195D, SER534A, SER584A, THR145D, THR193D, THR578A, THR579A, THR619A, TRP125D, TRP185D, TRP194D, TRP541A, TYR535A, TYR98D, VAL192D, VAL513A
• B-C: ARG539B, ASN123C, ASN128C, ASN182C, ASN515B, ASN540B, ASN546B, ASN581B, ASN583B, ASN603B, ASN703C, ASP124C, ASP536B, ASP562B, ASP580B, ASP620B, ASP676C, ASP702C, ASP94C, GLN543B, GLU198C, GLU656C, GLU95C, GLY130C, GLY396B, GLY582B, GLY604B, ILE146C, LEU126C, LEU147C, LEU623B, LEU705C, LYS144C, LYS150C, LYS196C, LYS495B, LYS564B, LYS605B, LYS700C, PHE149C, PHE516B, PHE533B, PHE542B, PRO127C, PRO148C, PRO544B, PRO545B, SER195C, SER534B, SER584B, THR145C, THR193C, THR579B, TRP125C, TRP185C, TRP194C, TRP541B, TYR535B, TYR98C, VAL192C, VAL513B
• B-D: ALA389B, ALA390B, ALA759B, ARG113D, ARG134D, ARG138D, ARG172D, ARG337D, ARG424B, ARG719D, ARG743B, ARG76D, ASN112D, ASN171D, ASN421B, ASN438B, ASP107D, ASP110D, ASP137D, ASP170D, ASP386B, ASP41B, ASP423B, ASP437B, ASP488B, ASP63B, ASP63D, ASP722D, ASP723D, ASP78B, ASP78D, GLU140D, GLU143D, GLU451B, GLU61D, GLU724D, GLU82B, GLU82D, GLY139D, GLY456B, GLY46B, GLY47B, GLY492B, ILE387B, ILE85D, LEU489B, LEU64D, LEU87D, LYS144D, LYS39B, LYS449B, LYS453B, LYS490B, LYS494B, LYS62B, LYS62D, PHE420D, PRO108D, PRO111D, PRO391B, PRO79B, PRO79D, SER135D, SER35D, SER388B, SER760B, SER80B, SER80D, THR136D, THR141D, THR455B, THR60D, THR81B, THR81D, THR83B, THR83D, TRP142D, TRP77B, TRP77D, TYR115D, TYR190D, TYR66D, TYR755B, VAL109D, VAL192D, VAL44B, VAL452B, VAL491B, VAL704D
• C-D: ARG172C, ARG172D, ARG186C, ARG186D, ASN235C, ASN235D, ASP170C, ASP170D, ASP256C, ASP256D, GLY234C, GLY234D, GLY257C, GLY257D, ILE173D, LYS238C, LYS238D, PRO236C, PRO236D, SER195D, SER199C, SER199D, SER231C, SER231D, THR232C, THR232D, THR237C, THR237D, THR255C, THR255D, THR260C, THR260D, TRP261C, TRP261D, VAL259C, VAL259D