3LQA

crystal structure of clade c gp120 in complex with scd4 and 21c fab

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 68
  • Norm. En. per Res.: -2.7898
• Hub Node: C(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
C-G	-31.2558	10.174	-217.995	-239.0768	104	35	1	10093	3	33	25
C-H	0.0	0.0	-23.2617	-23.2617	21	4	0	1163	0	1	0
C-L	0.0	-14.3007	-40.6815	-54.9822	40	6	0	2112	1	15	15
G-H	-7.736	-56.3482	-125.62	-189.7042	68	43	2	7517	1	12	6
H-L	-26.3327	-22.7334	-444.846	-493.9122	199	34	12	19592	3	12	19

Interface residues

• C-G: ALA356G, ALA55C, ARG431G, ARG455G, ARG471G, ARG482G, ARG58C, ARG59C, ASN272G, ASN275G, ASN276G, ASN30C, ASN32C, ASN39C, ASN424G, ASN460G, ASN465G, ASN52C, ASP101G, ASP362G, ASP456G, ASP476G, ASP479G, ASP53C, ASP63C, ASP88C, GLN25C, GLN33C, GLN40C, GLN427G, GLU271G, GLU364G, GLU428G, GLU459G, GLU463G, GLU85C, GLU87C, GLY360G, GLY361G, GLY38C, GLY41C, GLY430G, GLY457G, GLY458G, GLY473G, GLY474G, GLY475G, GLY47C, HIS104G, HIS27C, ILE24C, ILE280G, ILE34C, ILE365G, ILE36C, ILE423G, ILE469G, LEU363G, LEU37C, LEU44C, LEU452G, LEU61C, LYS22C, LYS278G, LYS29C, LYS35C, LYS461G, LYS46C, LYS478G, LYS50C, LYS90C, LYS96G, MET425G, MET477G, PHE26C, PHE43C, PHE470G, PRO123G, PRO357G, PRO358G, PRO472G, PRO48C, SER23C, SER31C, SER369G, SER42C, SER49C, SER60C, THR253G, THR279G, THR366G, THR454G, THR45C, THR462G, TRP28C, TRP426G, TRP62C, TRP95G, TYR378G, VAL251G, VAL277G, VAL359G, VAL429G, VAL86C
• C-H: ARG54C, ARG58C, ARG59C, ASP56C, GLU55H, GLY108H, ILE70C, LEU105H, LEU44C, LEU61C, LYS72C, PHE43C, PRO53H, PRO68C, SER42C, SER57C, SER60C, TRP106H, TRP62C, TYR103H, TYR109H
• C-L: ALA55C, ARG54C, ARG58C, ASN33L, ASN52C, ASN73C, ASP10C, ASP173C, ASP53C, ASP53L, ASP56C, GLY31L, GLY70L, GLY9C, ILE30L, LEU51C, LEU74C, LYS171C, LYS18L, LYS32L, LYS46C, LYS68L, LYS72C, LYS75C, LYS7C, LYS8C, PHE170C, SER26L, SER27L, SER28L, SER67L, SER69L, SER72L, SER95L, THR11C, THR156C, THR20L, THR71L, THR74L, TYR34L
• G-H: ALA198G, ALA200G, ALA432G, ALA435G, ARG418G, ARG420G, ARG431G, ASN101H, ASN104H, ASN193G, ASN424G, ASN56H, ASN77H, ASP362G, ASP73H, CYS118G, CYS201G, CYS417G, GLN199G, GLN421G, GLU364G, GLU428G, GLU54H, GLU55H, GLU57H, GLU72H, GLY100H, GLY108H, GLY31H, GLY430G, GLY52H, ILE197G, ILE419G, ILE422G, ILE423G, ILE58H, ILE59H, LEU105H, LEU121G, LEU29H, LEU32H, LEU363G, LYS120G, MET425G, MET433G, MET70H, PHE376G, PHE51H, PRO123G, PRO53H, SER195G, SER33H, SER75H, THR107H, THR122G, THR194G, THR196G, THR28H, THR30H, THR71H, THR74H, TRP106H, TYR102H, TYR103H, TYR109H, TYR378G, VAL119G, VAL429G
• H-L: ALA113H, ALA133L, ALA136L, ALA137H, ALA148H, ALA149H, ALA179L, ALA180H, ALA180L, ALA213L, ALA44L, ALA45L, ALA61H, ALA97H, ARG38H, ASN134L, ASN175L, ASN176L, ASN33L, ASP144L, ASP156H, ASP52L, ASP53L, ASP87L, ASP94L, CYS140L, CYS152H, CYS90L, CYS96H, GLN101L, GLN117H, GLN132L, GLN173L, GLN183H, GLN39H, GLN39L, GLN40L, GLN55L, GLN62H, GLN65H, GLN6H, GLU129L, GLU130L, GLU166L, GLU46H, GLU54H, GLU57H, GLY100H, GLY100L, GLY104L, GLY105L, GLY106L, GLY108H, GLY116H, GLY118H, GLY151H, GLY164L, GLY174H, GLY42H, GLY43L, GLY44H, GLY49H, GLY50H, GLY52H, GLY91L, GLY99H, HIS176H, HIS214L, HIS35H, ILE142L, ILE50L, ILE58H, ILE59H, LEU102L, LEU112H, LEU123L, LEU131L, LEU136H, LEU138L, LEU141L, LEU150H, LEU153H, LEU182H, LEU184L, LEU187H, LEU190H, LEU41L, LEU45H, LEU48L, LEU49L, LEU97L, LYS108L, LYS129H, LYS135L, LYS141H, LYS155H, LYS172L, LYS177L, LYS210L, LYS221H, LYS222H, LYS32L, LYS43H, LYS47L, LYS63H, MET212L, MET48H, PHE103L, PHE124L, PHE134H, PHE145L, PHE178H, PHE51H, PHE51L, PRO111H, PRO125L, PRO126L, PRO135H, PRO138H, PRO170L, PRO179H, PRO46L, PRO53H, PRO57L, SER120L, SER127L, SER128L, SER132H, SER139H, SER140H, SER142H, SER143L, SER144H, SER171L, SER173H, SER174L, SER181L, SER182L, SER184H, SER185H, SER185L, SER189H, SER191H, SER192H, SER196L, SER198L, SER36L, SER58L, SER95L, SER98L, THR107H, THR119H, THR122L, THR137L, THR143H, THR147H, THR167L, THR168L, THR169L, THR172H, THR177H, THR195H, THR211L, THR92L, THR98H, THR99L, TRP106H, TRP115H, TRP36H, TRP37L, TRP47H, TRP93L, TYR102H, TYR103H, TYR109H, TYR110H, TYR114H, TYR178L, TYR183L, TYR197L, TYR34L, TYR38L, TYR60H, TYR88L, TYR89L, TYR95H, VAL121L, VAL133H, VAL139L, VAL154H, VAL165L, VAL175H, VAL181H, VAL193H, VAL194H, VAL223H, VAL35L, VAL37H, VAL93H