1NOI

complex of glycogen phosphorylase with a transition state analogue nojirimycin tetrazole and phosphate in the t and r states

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 237
  • Norm. En. per Res.: -2.8901
• 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	-93.5425	-24.0832	-567.336	-684.9617	237	22	12	25783	4	86	122
A-C	0.0	-10.7164	-30.8612	-41.5776	48	0	0	1706	0	11	12
A-D	-10.1531	-59.1788	-145.662	-214.9938	112	17	0	6416	6	61	63
B-C	-19.3505	-79.6013	-158.591	-257.5428	119	8	0	6219	6	60	61
B-D	0.0	5.8082	-43.0118	-37.2037	55	0	2	2295	0	11	14
C-D	-76.8673	-22.8811	-497.082	-596.8304	225	25	12	23447	4	85	124

Interface residues

• A-B: ALA111A, ALA111B, ALA179A, ALA179B, ALA192A, ALA192B, ALA19A, ALA19B, ALA248A, ALA248B, ALA265A, ALA265B, ALA46A, ALA46B, ALA54A, ALA54B, ARG10A, ARG10A5, ARG10B, ARG16A, ARG16B, ARG184A, ARG184B, ARG193A, ARG193B, ARG242B, ARG269A, ARG269B, ARG277A, ARG277B, ARG309B, ARG33A, ARG33B, ARG43A, ARG43B, ARG49A, ARG49B, ARG60A, ARG60B, ARG66A, ARG66B, ARG69A, ARG69B, ASN250A, ASN250B, ASN253A, ASN253B, ASN270A, ASN270B, ASN274A, ASN274B, ASN30A, ASN30B, ASN32A, ASN32B, ASN44A, ASN44B, ASP118A, ASP180A, ASP180B, ASP181A, ASP181B, ASP227A, ASP227B, ASP251A, ASP251B, ASP268A, ASP268B, ASP42A, ASP42B, ASP50A, ASP50B, ASP61A, ASP61B, CB5.1443823.97307, GLN114A, GLN114B, GLN12A, GLN12B, GLN264A, GLN264B, GLN71A, GLN71B, GLN72A, GLN72B, GLU162A, GLU162B, GLU177A, GLU177B, GLU178A, GLU178B, GLU190A, GLU190B, GLU195A, GLU195B, GLU26A, GLU26B, GLU273A, GLU273B, GLU76A, GLU76B, GLY116A, GLY116B, GLY17A, GLY17B, GLY186A, GLY186B, GLY20A, GLY20B, GLY65A, GLY65B, HIS34A, HIS34B, HIS36A, HIS36B, HIS57A, HIS57B, HIS62A, HIS62B, ILE13A, ILE13B, ILE165A, ILE263A, ILE263B, ILE68A, ILE68B, LEU115A, LEU115B, LEU117A, LEU117B, LEU122A, LEU122B, LEU183A, LEU183B, LEU18A, LEU18B, LEU222B, LEU254A, LEU254B, LEU267A, LEU267B, LEU271A, LEU271B, LEU279A, LEU291A, LEU35A, LEU35B, LEU39A, LEU39B, LEU63A, LEU63B, LYS11A, LYS11B, LYS191A, LYS191B, LYS247A, LYS247B, LYS255A, LYS255B, LYS289A, LYS28A, LYS28B, LYS29A, LYS29B, LYS41A, LYS41B, LYS617A, MET176A, MET224A, MET224B, PHE163A, PHE163B, PHE166A, PHE166B, PHE196A, PHE196B, PHE252A, PHE252B, PHE257B, PHE31A, PHE31B, PHE37A, PHE37B, PHE53A, PHE53B, PRO194A, PRO194B, PRO229A, PRO229B, PRO249B, PRO48A, PRO48B, PRO611A, PRO611B, PRO837A, PRO837B, SER14A, SER14B, THR112A, THR112B, THR197A, THR197B, THR25B, THR38A, THR38B, THR47A, THR47B, THR58A, THR58B, TRP189A, TRP189B, TRP67A, TRP67B, TYR113A, TYR113B, TYR185A, TYR185B, TYR262A, TYR262B, TYR280A, TYR51A, TYR51B, TYR75A, TYR75B, VAL15A, VAL15B, VAL24B, VAL266A, VAL266B, VAL278A, VAL278B, VAL40A, VAL40B, VAL45A, VAL45B, VAL64A, VAL64B
• A-C: ARG205A, ARG205C, ASN258A, ASN258C, ASN270A, ASN270C, ASP217A, ASP217C, ASP256A, ASP268C, GLN264A, GLN264C, GLU207A, GLU207C, GLU290A, GLU290C, GLY260A, GLY260C, GLY261A, GLY261C, HIS390A, HIS390C, ILE263A, ILE263C, LEU254C, LEU267A, LEU267C, LEU271A, LEU271C, LEU391A, LEU391C, LYS289C, LYS294A, LYS294C, PHE257A, PHE257C, PRO388A, THR394A, THR394C, TYR203A, TYR203C, TYR262A, TYR262C, VAL216A, VAL216C, VAL259A, VAL259C, VAL436A
• A-D: ALA265A, ALA435A, ALA435D, ALA728A, ALA728D, ARG386D, ARG424A, ARG426A, ARG426D, ARG427A, ARG427D, ARG438A, ARG720A, ARG724A, ARG724D, ARG770A, ARG770D, ASN727A, ASN727D, ASN763A, ASP423A, ASP423D, ASP722A, ASP722D, ASP733A, ASP733D, ASP756A, ASP756D, ASP760A, ASP769A, ASP769D, CYS171D, GLN175D, GLN264A, GLN264D, GLN723A, GLN723D, GLN729A, GLN729D, GLN754A, GLN754D, GLU382D, GLU432A, GLU432D, GLU433A, GLU433D, GLU730A, GLU730D, GLY261A, GLY261D, GLY434A, GLY434D, GLY725A, GLY725D, GLY748A, GLY748D, HIS614A, HIS614D, HIS767A, HIS767D, HIS768A, HIS768D, ILE263A, ILE263D, ILE380A, LEU721A, LEU721D, LEU757A, LEU757D, LYS437D, LYS617A, LYS617D, LYS621A, LYS621D, LYS753A, LYS753D, LYS759A, LYS759D, LYS772A, MET176A, MET176D, MET618A, MET618D, MET766A, MET766D, PHE758D, PRO381A, PRO381D, PRO752A, PRO752D, PRO755A, PRO755D, SER746A, SER746D, SER747A, SER747D, SER751A, SER751D, TRP174A, TRP174D, TYR262A, TYR262D, TYR726A, TYR726D, TYR732A, TYR732D, VAL266A, VAL266D, VAL422A, VAL431A, VAL436A, VAL436D
• B-C: ALA265B, ALA265C, ALA435B, ALA435C, ALA728B, ALA728C, ARG386B, ARG424B, ARG424C, ARG426B, ARG426C, ARG427B, ARG427C, ARG438B, ARG438C, ARG724B, ARG724C, ARG770B, ARG770C, ASN727B, ASN727C, ASN763B, ASN763C, ASP423B, ASP423C, ASP722B, ASP722C, ASP733B, ASP733C, ASP756B, ASP756C, ASP760B, ASP760C, GLN175B, GLN175C, GLN264B, GLN264C, GLN723B, GLN723C, GLN729B, GLN729C, GLN754B, GLN754C, GLU382B, GLU382C, GLU432B, GLU432C, GLU433B, GLU433C, GLU730B, GLU730C, GLY260B, GLY260C, GLY261B, GLY261C, GLY434B, GLY434C, GLY725B, GLY725C, GLY748B, GLY748C, HIS614B, HIS614C, HIS767B, HIS767C, HIS768B, HIS768C, ILE263B, ILE263C, LEU267C, LEU721B, LEU721C, LEU757B, LEU757C, LYS437B, LYS437C, LYS617B, LYS617C, LYS621B, LYS621C, LYS753B, LYS753C, LYS759B, LYS759C, LYS772C, MET176B, MET176C, MET618B, MET618C, MET766B, MET766C, PHE758B, PHE758C, PRO381B, PRO381C, PRO752B, PRO752C, PRO755B, PRO755C, SER746B, SER746C, SER747B, SER747C, SER751B, SER751C, TRP174B, TRP174C, TYR262B, TYR262C, TYR726B, TYR726C, TYR732B, TYR732C, VAL266B, VAL266C, VAL422B, VAL422C, VAL436B, VAL436C
• B-D: ALA265B, ARG205B, ARG205D, ASN258B, ASN258D, ASN270B, ASN270D, ASP217B, ASP217D, ASP256D, ASP268B, GLN264B, GLN264D, GLU207B, GLU207D, GLU290B, GLU290D, GLY260B, GLY260D, GLY261B, GLY261D, HIS390B, HIS390D, ILE263B, ILE263D, LEU254D, LEU267B, LEU267D, LEU271B, LEU271D, LEU291B, LEU391B, LEU391D, LEU395B, LYS289B, LYS294B, LYS294D, PHE257B, PHE257D, PRO388B, PRO388D, THR394B, THR394D, TYR203B, TYR203D, TYR262B, TYR262D, VAL206B, VAL206D, VAL216B, VAL216D, VAL259B, VAL266B, VAL436B, VAL436D
• C-D: ALA179C, ALA179D, ALA192C, ALA192D, ALA19C, ALA19D, ALA248D, ALA265C, ALA265D, ALA46C, ALA46D, ALA54C, ALA54D, ARG10C, ARG10D, ARG16C, ARG16D, ARG184C, ARG184D, ARG193C, ARG193D, ARG242D, ARG269C, ARG269D, ARG277C, ARG277D, ARG309C, ARG309D, ARG33C, ARG33D, ARG43C, ARG43D, ARG49C, ARG49D, ARG60C, ARG60D, ARG66C, ARG66D, ARG69C, ARG69D, ASN250C, ASN250D, ASN253C, ASN253D, ASN270C, ASN270D, ASN274C, ASN274D, ASN30C, ASN30D, ASN32C, ASN32D, ASN44C, ASN44D, ASP118C, ASP180C, ASP180D, ASP181C, ASP181D, ASP227C, ASP227D, ASP251C, ASP251D, ASP268C, ASP268D, ASP42C, ASP42D, ASP50C, ASP50D, ASP61C, ASP61D, GLN114C, GLN114D, GLN12C, GLN12D, GLN264C, GLN264D, GLN71C, GLN71D, GLN72C, GLN72D, GLU162C, GLU162D, GLU177C, GLU177D, GLU178C, GLU178D, GLU190C, GLU190D, GLU195C, GLU195D, GLU26C, GLU26D, GLU273C, GLU273D, GLU76C, GLU76D, GLY116C, GLY116D, GLY17C, GLY17D, GLY186C, GLY186D, GLY20D, GLY65C, GLY65D, HIS34C, HIS34D, HIS36C, HIS36D, HIS57C, HIS57D, HIS62C, HIS62D, ILE13C, ILE13D, ILE165D, ILE263C, ILE263D, ILE68C, ILE68D, LEU115C, LEU115D, LEU117C, LEU117D, LEU122C, LEU183C, LEU183D, LEU18C, LEU18D, LEU222D, LEU254C, LEU267C, LEU267D, LEU271C, LEU271D, LEU35C, LEU35D, LEU39C, LEU39D, LEU63C, LEU63D, LYS11C, LYS11D, LYS191C, LYS191D, LYS247C, LYS247D, LYS255C, LYS255D, LYS28C, LYS28D, LYS29C, LYS29D, LYS41C, LYS41D, LYS617D, MET176D, MET224C, MET224D, PHE163C, PHE163D, PHE166C, PHE166D, PHE196C, PHE196D, PHE252C, PHE252D, PHE31C, PHE31D, PHE37C, PHE37D, PHE53C, PHE53D, PRO194C, PRO194D, PRO229C, PRO229D, PRO249D, PRO48C, PRO611D, PRO837D, SER14C, SER14D, SER314D, THR112C, THR112D, THR197C, THR197D, THR228D, THR240D, THR25D, THR38C, THR38D, THR47C, THR47D, THR58C, THR58D, TRP189C, TRP189D, TRP67C, TRP67D, TYR113C, TYR113D, TYR185C, TYR185D, TYR262C, TYR262D, TYR51C, TYR51D, TYR75C, TYR75D, VAL15C, VAL15D, VAL21D, VAL266C, VAL266D, VAL278C, VAL278D, VAL40C, VAL40D, VAL45C, VAL45D, VAL64C, VAL64D