1UYW

crystal structure of the antiflavivirus fab4g2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: M-N
  • Int. Res.: 196
  • Norm. En. per Res.: -2.9778
• Hub Node: H(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
H-L	-25.7288	-15.8922	-518.195	-559.816	192	3	11	19582	0	18	15
H-M	0.0	0.0	-66.701	-66.701	41	2	0	2848	0	4	3
H-N	0.0	0.0	-4.6082	-4.6082	15	0	0	315	0	1	0
L-M	-8.3602	-21.6129	-26.8365	-56.8096	43	2	0	2048	1	7	8
M-N	-39.8674	-21.8345	-521.942	-583.6438	196	12	11	19849	1	18	15

Interface residues

• H-L: ALA105H, ALA125H, ALA130L, ALA168H, ALA46H, ALA51L, ALA93H, ARG211L, ARG213H, ARG94H, ASN137L, ASN138L, ASN157L, ASN161L, ASN1L, ASN210L, ASN212L, ASN53L, ASN58H, ASN62H, ASP101H, ASP165L, ASP167L, ASP170L, ASP52H, ASP85L, ASP99H, CYS128H, CYS134L, CYS140H, CYS88L, CYS92H, GLN124L, GLN166L, GLN171H, GLN37L, GLN38L, GLN42L, GLN6H, GLN6L, GLN90L, GLU123L, GLU211H, GLU39H, GLU41L, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY128L, GLY129L, GLY139H, GLY144H, GLY158L, GLY162H, GLY42H, GLY49H, GLY50H, GLY50L, GLY89L, GLY91L, GLY99L, HIS164H, HIS35H, HIS87L, HIS97H, ILE117L, ILE210H, ILE48H, ILE48L, ILE51H, ILE95H, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU45H, LEU46L, LEU47L, LYS103L, LYS142L, LYS143H, LYS169L, LYS207L, LYS208H, LYS209H, LYS38H, LYS43H, LYS45L, MET175L, PHE100H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE63H, PHE91H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO61H, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER135H, SER160H, SER161H, SER162L, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER34L, SER43L, SER44H, SER60H, SER93L, THR102L, THR114L, THR126L, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR31L, THR33H, THR56L, THR57H, THR97L, TRP103H, TRP154H, TRP163L, TRP35L, TRP36H, TRP47H, TYR100H, TYR122H, TYR173L, TYR175H, TYR186L, TYR192L, TYR32L, TYR36L, TYR49L, TYR55L, TYR59H, TYR86L, TYR92L, TYR94L, TYR96H, TYR96L, TYR98H, VAL102H, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL2H, VAL33L, VAL37H, VAL89H
• H-M: ALA40M, ALA46M, ALA88M, ASN62M, ASP130H, ASP86M, CYS128H, GLU39M, GLU85M, GLY129H, GLY133H, GLY41M, GLY42M, ILE48M, LEU45M, LYS38M, LYS43M, LYS66M, PHE63M, PRO126H, PRO189H, PRO61M, SER134H, SER135H, SER185H, SER186H, SER44M, SER60M, SER84M, SER87M, THR131H, THR132H, THR137H, THR182H, THR184H, THR187H, TRP188H, TRP47M, TYR90M, VAL136H, VAL89M
• H-N: ASN1N, ASP130H, GLN191H, GLY129H, LYS9N, PHE98N, PRO189H, PRO95N, SER185H, SER186H, SER190H, THR187H, THR97N, TRP188H, VAL3N
• L-M: ALA109L, ALA111L, ALA112L, ALA114M, ARG108L, ASN138L, ASN210L, ASP110L, ASP170L, ASP173M, ASP86M, GLU85M, GLY15M, HIS198L, ILE205L, LEU82M, LYS115M, LYS13M, LYS169L, LYS207L, LYS64M, LYS66M, PHE139L, PRO113L, PRO14M, PRO204L, SER112M, SER113M, SER116L, SER172M, SER201L, SER203L, SER82M, SER83M, SER84M, THR114L, THR16M, THR200L, THR202L, TYR140L, VAL111M, VAL115L, VAL206L
• M-N: ALA105M, ALA125M, ALA130N, ALA168M, ALA46M, ALA51N, ALA93M, ARG211N, ARG213M, ARG94M, ASN137N, ASN138N, ASN161N, ASN1N, ASN210N, ASN53N, ASN58M, ASN62M, ASP101M, ASP165N, ASP167N, ASP170N, ASP207M, ASP52M, ASP85N, ASP99M, CYS128M, CYS134N, CYS140M, CYS88N, CYS92M, GLN124N, GLN166N, GLN171M, GLN37N, GLN38N, GLN42N, GLN6M, GLN6N, GLN90N, GLU123N, GLU39M, GLU41N, GLY100M, GLY100N, GLY101N, GLY104M, GLY106M, GLY128N, GLY129N, GLY133M, GLY139M, GLY144M, GLY158N, GLY162M, GLY42M, GLY49M, GLY50M, GLY50N, GLY56M, GLY89N, GLY91N, GLY99N, HIS164M, HIS35M, HIS87N, HIS97M, ILE117N, ILE210M, ILE48M, ILE48N, ILE51M, ILE95M, LEU124M, LEU125N, LEU136N, LEU138M, LEU141M, LEU160N, LEU170M, LEU174M, LEU177M, LEU179N, LEU181N, LEU45M, LEU46N, LEU47N, LYS142N, LYS143M, LYS169N, LYS207N, LYS208M, LYS209M, LYS38M, LYS43M, LYS45N, LYS9N, MET175N, PHE100M, PHE118N, PHE135N, PHE139N, PHE166M, PHE209N, PHE63M, PHE91M, PHE98N, PRO119N, PRO120N, PRO123M, PRO126M, PRO167M, PRO40N, PRO44N, PRO61M, PRO95N, SER116N, SER120M, SER121N, SER122N, SER127N, SER131N, SER135M, SER160M, SER161M, SER162N, SER174N, SER176N, SER177N, SER178M, SER179M, SER180M, SER208N, SER34N, SER43N, SER44M, SER60M, SER93N, THR102N, THR107M, THR114N, THR126N, THR137M, THR164N, THR165M, THR172N, THR176M, THR178N, THR180N, THR182M, THR31N, THR33M, THR56N, THR57M, THR97N, TRP103M, TRP154M, TRP163N, TRP35N, TRP36M, TRP47M, TYR100M, TYR122M, TYR173N, TYR175M, TYR186N, TYR192N, TYR32N, TYR36N, TYR49N, TYR55N, TYR59M, TYR86N, TYR90M, TYR92N, TYR94N, TYR96M, TYR96N, TYR98M, VAL102M, VAL115N, VAL121M, VAL127M, VAL132N, VAL133N, VAL136M, VAL142M, VAL159N, VAL163M, VAL169M, VAL181M, VAL206M, VAL2M, VAL33N, VAL37M, VAL89M