3RB7

crystal structure of cbd12 from calx1.2

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 81
  • Norm. En. per Res.: -2.4935
• Hub Node: A(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-E	-23.335	-50.7337	-127.902	-201.9707	81	9	3	5902	9	30	39
A-G	-47.4447	27.4262	-306.87	-326.8885	172	18	9	13561	1	64	59
B-E	-50.006	52.711	-236.413	-233.708	152	22	9	11570	1	52	52

Interface residues

• A-E: ALA607A, ALA607E, ALA648A, ALA648E, ARG572A, ARG572E, ARG608A, ARG608E, ARG646A, ARG646E, ASN615A, ASN615E, ASP623A, ASP623E, ASP650A, ASP650E, GLU568E, GLU574A, GLU574E, GLU605A, GLU605E, GLU610A, GLU610E, GLU614A, GLU614E, GLU617E, GLU628E, GLU629E, GLY571A, GLY571E, GLY585E, GLY606A, GLY606E, GLY609A, GLY609E, ILE588A, ILE588E, ILE622E, ILE626A, ILE626E, LEU611A, LEU611E, LEU624A, LEU624E, LEU627E, LEU647A, LEU647E, LYS602E, LYS620E, LYS658A, LYS658E, PHE573A, PHE573E, PHE613A, PHE613E, PHE625A, PHE625E, PRO590E, PRO649A, PRO649E, PRO655A, SER569A, SER569E, SER651A, SER651E, THR586A, THR586E, TYR591A, TYR591E, TYR604A, TYR604E, TYR654A, TYR654E, VAL570A, VAL570E, VAL587A, VAL587E, VAL589A, VAL589E, VAL612A, VAL612E
• A-G: ALA539A, ALA539G, ALA544A, ALA544G, ALA598G, ALA688A, ALA688G, ARG443A, ARG443G, ARG528A, ARG528G, ARG673A, ARG673G, ARG681A, ARG681G, ARG691A, ARG691G, ARG693A, ASN595A, ASN682A, ASN682G, ASP482A, ASP482G, ASP522A, ASP522G, ASP561A, ASP561G, ASP596A, ASP596G, ASP635A, ASP635G, ASP667A, ASP667G, ASP672A, ASP672G, CYS524A, CYS524G, GLN481A, GLN481G, GLN666A, GLN666G, GLU479A, GLU479G, GLU521A, GLU521G, GLU523A, GLU523G, GLU565A, GLU565G, GLU633A, GLU644A, GLU644G, GLU659A, GLU659G, GLU661A, GLU661G, GLU670A, GLU670G, GLU684A, GLU684G, GLY449A, GLY449G, GLY483A, GLY483G, GLY683A, GLY683G, HIS450A, HIS450G, HIS641A, HIS641G, ILE527A, ILE527G, ILE543A, ILE543G, ILE548A, ILE548G, ILE556A, ILE566G, ILE657A, ILE657G, ILE692A, ILE692G, LEU529A, LEU529G, LEU538A, LEU538G, LEU549A, LEU549G, LEU668A, LEU668G, LEU675G, LEU676A, LEU676G, LEU677A, LEU677G, LEU685A, LEU685G, LYS537A, LYS537G, LYS639A, LYS639G, LYS658A, LYS658G, LYS662A, LYS662G, LYS663A, LYS663G, LYS679A, LYS679G, MET444A, MET444G, MET542A, MET542G, MET547A, MET547G, PHE446A, PHE519G, PHE525A, PHE525G, PHE530A, PHE530G, PHE559A, PHE559G, PHE564A, PHE564G, PHE638G, PRO532A, PRO532G, PRO541A, PRO541G, PRO645A, PRO664A, PRO664G, PRO680A, PRO680G, SER562A, SER562G, SER637A, SER637G, THR452A, THR452G, THR480G, THR484A, THR484G, THR545A, THR545G, THR597A, THR597G, THR686A, THR686G, THR687A, THR687G, TYR445A, TYR445G, TYR526A, TYR526G, TYR689A, TYR689G, VAL540A, VAL540G, VAL546A, VAL546G, VAL563A, VAL563G, VAL636A, VAL636G, VAL660A, VAL660G, VAL665A, VAL665G, VAL690A, VAL690G
• B-E: ALA539B, ALA539E, ALA544B, ALA544E, ALA688B, ALA688E, ARG443B, ARG528B, ARG528E, ARG646B, ARG673B, ARG673E, ARG681B, ARG681E, ARG691B, ARG691E, ARG693E, ASN531E, ASN595B, ASN682B, ASN682E, ASP482B, ASP482E, ASP522B, ASP522E, ASP561B, ASP596B, ASP596E, ASP667B, ASP667E, ASP672B, ASP672E, CYS524B, CYS524E, GLN481B, GLN481E, GLN666B, GLN666E, GLU479E, GLU521B, GLU521E, GLU523B, GLU523E, GLU565B, GLU565E, GLU644B, GLU644E, GLU659B, GLU659E, GLU661B, GLU661E, GLU670B, GLU670E, GLU684B, GLU684E, GLY449E, GLY483B, GLY483E, GLY683B, GLY683E, HIS450B, HIS450E, HIS641B, HIS641E, ILE527B, ILE527E, ILE543B, ILE543E, ILE548B, ILE548E, ILE657B, ILE657E, ILE674E, LEU529B, LEU529E, LEU538B, LEU538E, LEU549B, LEU549E, LEU668B, LEU668E, LEU676B, LEU676E, LEU677B, LEU677E, LEU685B, LEU685E, LYS537B, LYS537E, LYS639B, LYS639E, LYS658B, LYS658E, LYS662B, LYS662E, LYS663B, LYS663E, LYS679B, LYS679E, MET444B, MET542B, MET542E, MET547B, MET547E, PHE525B, PHE525E, PHE530B, PHE530E, PHE559E, PHE564E, PHE638B, PRO532E, PRO541B, PRO541E, PRO645B, PRO645E, PRO664B, PRO664E, PRO680B, PRO680E, SER562B, SER562E, SER637B, SER637E, THR452B, THR480E, THR484B, THR484E, THR545B, THR545E, THR597B, THR597E, THR686B, THR686E, THR687B, THR687E, TYR445B, TYR526B, TYR526E, TYR689B, TYR689E, VAL540B, VAL540E, VAL563B, VAL563E, VAL636B, VAL636E, VAL660B, VAL660E, VAL665B, VAL665E, VAL690B