3JWO

structure of hiv-1 gp120 with gp41-interactive region: layered architecture and basis of conformational mobility

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 106
  • Norm. En. per Res.: -3.4728
• 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-C	-72.2069	-44.8044	-251.109	-368.1203	106	11	1	10052	5	29	27
A-L	-7.2441	0.0	-71.0722	-78.3163	39	6	2	3414	0	3	0
A-H	-28.7286	-63.0392	-79.6292	-171.397	50	5	0	3380	6	19	11
L-H	-23.1714	-26.6884	-362.767	-412.6268	175	10	15	15882	2	17	11

Interface residues

• A-C: ALA281A, ARG1058C, ARG1059C, ARG456A, ARG469A, ARG476A, ARG480A, ASN1030C, ASN1032C, ASN1039C, ASN1052C, ASN276A, ASN280A, ASN425A, ASN460A, ASN462A, ASP1056C, ASP1063C, ASP1088C, ASP279A, ASP368A, ASP457A, ASP474A, ASP477A, GLN1025C, GLN1033C, GLN1040C, GLN1064C, GLN363A, GLN428A, GLU102A, GLU1085C, GLU1087C, GLU370A, GLY1038C, GLY1041C, GLY1047C, GLY124A, GLY198A, GLY366A, GLY367A, GLY431A, GLY458A, GLY459A, GLY471A, GLY472A, GLY473A, HIS1027C, HIS105A, ILE1024C, ILE1034C, ILE1036C, ILE1083C, ILE284A, ILE371A, ILE424A, ILE467A, LEU1037C, LEU1044C, LEU1061C, LEU453A, LEU454A, LYS1022C, LYS1029C, LYS1035C, LYS1046C, LYS1090C, LYS282A, LYS362A, LYS429A, LYS432A, LYS97A, MET426A, MET475A, PHE1026C, PHE1043C, PHE1067C, PHE468A, PRO1048C, PRO369A, PRO470A, SER1023C, SER1031C, SER1042C, SER1049C, SER1060C, SER256A, SER257A, SER364A, SER365A, SER461A, THR1045C, THR123A, THR278A, THR283A, THR455A, TRP1028C, TRP1062C, TRP375A, TRP427A, TYR384A, VAL1086C, VAL255A, VAL275A, VAL372A, VAL430A
• A-L: ALA204A, ALA436A, ALA91L, ASN92L, ASP1L, ASP28L, CYS119A, CYS205A, GLN203A, GLN27L, GLN3L, GLN422A, GLN90L, GLY68L, ILE201A, ILE29L, ILE2L, ILE423A, ILE439A, LEU122A, LYS121A, LYS207A, MET434A, PHE94L, PHE96L, PRO118A, PRO206A, PRO437A, PRO438A, SER26L, SER30L, SER93L, THR202A, THR69L, THR97L, TRP32L, TYR435A, VAL120A, VAL200A
• A-H: ALA433A, ALA436A, ALA55H, ALA60H, ARG419A, ARG64H, ASN100H, ASN425A, ASP31H, ASP368A, ASP52H, ASP54H, ASP56H, GLN422A, GLU370A, GLU53H, GLU61H, GLU98H, GLY198A, ILE201A, ILE420A, ILE423A, ILE424A, ILE51H, LEU122A, LEU50H, LEU99H, LYS121A, LYS421A, LYS432A, MET434A, MET58H, PHE32H, PRO369A, PRO437A, PRO438A, PRO52H, SER199A, SER30H, THR202A, THR373A, THR57H, TRP47H, TYR33H, TYR35H, TYR384A, TYR435A, TYR59H, VAL120A, VAL200A
• L-H: ALA100H, ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA34L, ALA43L, ALA50L, ALA51L, ALA60H, ALA91L, ALA93H, ALA94H, ARG38H, ARG64H, ASN100H, ASN101H, ASN137L, ASN138L, ASN158L, ASN92L, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP95H, CYS134L, CYS140H, CYS88L, GLN105H, GLN124L, GLN160L, GLN171H, GLN37L, GLN38L, GLN39H, GLN55L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU212H, GLU46H, GLU61H, GLU98H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY157L, GLY162H, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY99L, HIS164H, ILE117L, ILE2L, ILE48L, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LEU50H, LEU54L, LEU99H, LYS126L, LYS143H, LYS169L, LYS207L, LYS209H, LYS39L, LYS42L, LYS43H, LYS45L, LYS62H, MET48H, MET58H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE63H, PHE94L, PHE96L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER56L, SER93L, THR102L, THR129L, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR53L, THR57H, THR85L, THR97L, TRP103H, TRP32L, TRP35L, TRP36H, TRP47H, TRP97H, TYR173L, TYR176H, TYR33H, TYR35H, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, VAL102H, VAL121H, VAL132L, VAL133L, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL37H, VAL89H