3FMG

structure of rotavirus outer capsid protein vp7 trimer in complex with a neutralizing fab

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 187
  • Norm. En. per Res.: -2.7197
• Hub Node: L(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
L-H	-25.4227	-18.2724	-464.886	-508.581	187	25	10	19116	2	19	19
L-A	0.0	0.0	-13.993	-13.993	16	0	0	636	0	1	2
H-A	-14.9803	19.2154	-43.3163	-39.0812	34	1	1	1909	0	6	6

Interface residues

• L-H: ALA100L, ALA130L, ALA135H, ALA139H, ALA186H, ALA34L, ALA51L, ALA99H, ARG100H, ARG210H, ARG238H, ARG40H, ASN101H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN60H, ASN62H, ASN92L, ASP106H, ASP111H, ASP165L, ASP167L, ASP170L, ASP1L, CYS134L, CYS152H, CYS88L, CYS98H, GLN115H, GLN124L, GLN189H, GLN37L, GLN38L, GLN39H, GLN3L, GLN40L, GLN45L, GLN6H, GLN89L, GLU35H, GLU46H, GLU50H, GLU56L, GLU63H, GLY101L, GLY114H, GLY116H, GLY128L, GLY129L, GLY137H, GLY151H, GLY158L, GLY179H, GLY41L, GLY44H, GLY49H, GLY57L, GLY93L, GLY99L, HIS102H, HIS108H, HIS182H, HIS43H, HIS90L, HIS91L, ILE117L, ILE233H, ILE2L, ILE48H, LEU125L, LEU134H, LEU136L, LEU150H, LEU153H, LEU160L, LEU179L, LEU181L, LEU188H, LEU194H, LEU197H, LEU33L, LEU45H, LEU46L, LEU47L, LEU96L, LYS123L, LYS155H, LYS169L, LYS207L, LYS231H, LYS232H, LYS38H, LYS39L, LYS42L, LYS50L, LYS64H, MET110H, MET147H, MET175L, PHE107H, PHE118L, PHE135L, PHE139L, PHE184H, PHE209L, PHE65H, PHE98L, PRO105H, PRO119L, PRO120L, PRO130H, PRO133H, PRO136H, PRO185H, PRO41H, PRO44L, PRO55L, PRO94L, PRO95L, SER116L, SER121L, SER122L, SER127L, SER131L, SER138H, SER162L, SER174L, SER176L, SER177H, SER177L, SER178H, SER190H, SER198H, SER199H, SER200H, SER208L, SER43L, THR114L, THR126L, THR144H, THR149H, THR164L, THR172L, THR178L, THR180L, THR183H, THR196H, THR202H, THR53L, THR85L, THR97L, TRP113H, TRP163L, TRP167H, TRP33H, TRP35L, TRP36H, TRP47H, TYR112H, TYR132H, TYR173L, TYR195H, TYR32L, TYR36L, TYR49L, TYR61H, TYR86L, TYR87L, TYR97H, VAL109H, VAL115L, VAL131H, VAL132L, VAL133L, VAL148H, VAL154H, VAL159L, VAL181H, VAL187H, VAL201H, VAL236H, VAL37H, VAL48L, VAL95H
• L-A: ALA213A, ASN92L, ASP1L, ASP211A, CYS207A, GLU27L, GLY206A, GLY93L, ILE2L, LEU208A, LEU96L, PHE215A, PRO94L, PRO95L, THR212A, THR214A
• H-A: ALA213A, ALA219A, ALA221A, ASN60H, ASN62H, ASP211A, ASP238A, GLU216A, GLU217A, GLU222A, GLU50H, GLU63H, GLY49H, GLY55H, GLY57H, HIS108H, ILE51H, ILE59H, LEU52H, LYS194A, LYS64H, LYS66H, PHE215A, SER56H, SER58H, THR192A, THR210A, THR212A, THR214A, THR220A, TRP33H, TRP47H, TYR61H, VAL218A