3LOH

structure of the insulin receptor ectodomain, including ct peptide

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 64
  • Norm. En. per Res.: -4.0499
• Hub Node: A(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
A-B	-44.4343	-112.8714	220.404	63.0983	190	67	6	20294	8	21	21
A-E	-20.3444	16.4958	-101.881	-105.7295	49	20	0	4998	0	12	10
B-E	-8.2751	-11.8466	-103.485	-123.6067	34	4	0	3493	1	3	4
C-D	-8.8887	-8.5511	-300.972	-318.4117	158	37	4	15064	0	12	12
C-E	-35.6735	-96.1875	-127.33	-259.191	64	16	0	5571	5	21	16
D-E	-14.3677	0.0	-87.0383	-101.406	52	6	3	3952	0	5	7

Interface residues

• A-B: ALA130A, ALA135B, ALA173A, ALA40B, ALA57B, ALA62A, ALA96A, ARG101B, ARG218A, ARG38A, ARG60B, ARG92A, ARG97A, ARG99B, ASN142B, ASN143B, ASN166B, ASN215B, ASN34B, ASN35A, ASN37B, ASN56A, ASN60A, ASP106A, ASP170B, ASP172B, ASP175B, ASP1B, ASP219A, ASP58A, ASP98A, CYS139B, CYS145A, CYS219B, CYS220A, CYS94B, CYS95A, GLN110A, GLN129B, GLN171B, GLN176A, GLN39A, GLN43B, GLN44B, GLN48B, GLN95B, GLN96B, GLU128B, GLU218B, GLU46A, GLU61B, GLU6A, GLY101A, GLY104B, GLY105B, GLY106B, GLY109A, GLY111A, GLY132A, GLY133B, GLY134B, GLY144A, GLY163B, GLY167A, GLY217B, GLY33A, GLY42A, GLY44A, GLY47B, GLY49A, HIS169A, ILE122B, ILE215A, ILE51A, ILE54B, LEU129A, LEU130B, LEU141B, LEU143A, LEU146A, LEU165B, LEU175A, LEU179A, LEU182A, LEU184B, LEU186B, LEU39B, LEU45A, LEU48A, LEU52B, LEU53B, LYS103A, LYS148A, LYS174B, LYS212B, LYS213A, LYS36B, LYS43A, LYS51B, MET105A, MET140A, MET180B, MET50A, PHE103B, PHE123B, PHE140B, PHE144B, PHE171A, PHE214B, PHE38B, PHE98B, PRO104A, PRO124B, PRO125B, PRO128A, PRO131A, PRO172A, PRO40A, PRO50B, PRO99A, SER102A, SER121B, SER125A, SER126B, SER127B, SER132B, SER133A, SER136B, SER165A, SER166A, SER167B, SER173B, SER179B, SER181B, SER182B, SER183A, SER184A, SER185A, SER213B, SER49B, SER61A, SER62B, THR102B, THR119B, THR131B, THR142A, THR169B, THR170A, THR177B, THR181A, THR183B, THR185B, THR187A, THR57A, THR59B, TRP108A, TRP159A, TRP168B, TRP193A, TRP36A, TRP41B, TRP47A, TRP52A, TRP56B, TYR100A, TYR100B, TYR107A, TYR127A, TYR178B, TYR180A, TYR42B, TYR55B, TYR59A, TYR92B, TYR93B, TYR94A, TYR97B, VAL120B, VAL126A, VAL137B, VAL138B, VAL141A, VAL164B, VAL168A, VAL174A, VAL186A, VAL216A, VAL34A, VAL37A, VAL91B
• A-E: ALA31A, ARG236E, ARG97A, ASN230E, ASN255E, ASN56A, ASP220E, ASP221E, ASP234E, ASP54A, ASP58A, ASP98A, CYS237E, CYS241E, CYS253E, GLN1A, GLU211E, GLU239E, GLY101A, GLY235E, GLY26A, GLY33A, GLY53A, GLY55A, HIS209E, LEU233E, LEU29A, LYS103A, LYS224E, MET50A, PHE231E, PHE27A, PRO222E, PRO242E, PRO243E, PRO244E, PRO28A, PRO99A, SER102A, SER210E, THR223E, THR240E, THR30A, TRP52A, TYR100A, TYR245E, TYR32A, VAL238E, VAL254E
• B-E: ARG101B, ARG99B, ASN230E, ASN281E, ASN282E, ASN34B, CYS241E, GLN35B, GLU239E, HIS247E, HIS280E, LEU30B, LYS283E, LYS36B, PHE231E, PHE38B, PHE98B, PRO242E, PRO243E, PRO244E, SER210E, SER32B, SER33B, SER62B, THR240E, THR59B, TRP56B, TYR100B, TYR245E, TYR246E, TYR31B, TYR55B, TYR97B, VAL238E
• C-D: ALA101C, ALA130D, ALA168C, ALA97C, ARG40C, ARG46D, ARG98C, ASN137D, ASN138D, ASN157D, ASN161D, ASN61C, ASP165D, ASP167D, ASP170D, ASP1D, ASP33C, ASP41D, ASP55D, ASP85D, CYS134D, CYS140C, CYS88D, CYS96C, GLN105C, GLN124D, GLN166D, GLN171C, GLN37D, GLN38D, GLN39C, GLN43C, GLN90D, GLU123D, GLU46C, GLU62C, GLU99C, GLY100D, GLY101D, GLY104C, GLY106C, GLY129D, GLY139C, GLY158D, GLY162C, GLY39D, GLY42C, GLY42D, GLY44C, GLY49C, GLY99D, HIS164C, HIS35C, ILE117D, ILE44D, ILE48C, LEU125D, LEU136D, LEU138C, LEU141C, LEU152C, LEU160D, LEU170C, LEU174C, LEU177C, LEU179D, LEU181D, LEU36D, LEU45C, LEU47D, LEU89D, LYS103D, LYS142D, LYS143C, LYS169D, LYS207D, LYS38C, LYS45D, LYS59C, LYS63C, MET175D, PHE118D, PHE135D, PHE139D, PHE166C, PHE95C, PHE98D, PRO119D, PRO120D, PRO123C, PRO167C, PRO41C, PRO56D, PRO95D, SER116D, SER120C, SER121D, SER122D, SER127D, SER131D, SER135C, SER160C, SER161C, SER162D, SER168D, SER171D, SER172C, SER174D, SER176D, SER177D, SER178C, SER179C, SER180C, SER93D, SER94D, THR114D, THR126D, THR137C, THR164D, THR165C, THR172D, THR176C, THR178D, THR180D, THR182C, THR182D, THR43D, THR97D, TRP100C, TRP103C, TRP154C, TRP163D, TRP36C, TRP47C, TRP50C, TRP96D, TYR102C, TYR122C, TYR173D, TYR175C, TYR34D, TYR49D, TYR60C, TYR86D, TYR87D, TYR91D, VAL115D, VAL121C, VAL132D, VAL133D, VAL136C, VAL142C, VAL159D, VAL163C, VAL169C, VAL181C, VAL37C, VAL93C
• C-E: ALA101C, ALA592E, ARG479E, ARG488E, ARG554E, ARG794E, ARG98C, ASN31C, ASN547E, ASP33C, ASP483E, ASP55C, ASP591E, GLN1C, GLN546E, GLN589E, GLN788E, GLU62C, GLU792E, GLU793E, GLU99C, GLY26C, GLY54C, GLY550E, GLY56C, HIS35C, HIS548E, ILE34C, ILE478E, ILE485E, ILE51C, LEU486E, LEU487E, LEU552E, LYS484E, LYS59C, LYS65C, PHE482E, PRO53C, PRO543E, PRO549E, PRO791E, SER476E, SER481E, SER540E, SER545E, SER57C, THR28C, THR30C, THR480E, THR58C, THR590E, THR593E, THR790E, TRP100C, TRP47C, TRP50C, TRP551E, TYR102C, TYR27C, TYR32C, TYR477E, TYR52C, VAL2C
• D-E: ALA50D, ALA592E, ARG46D, ARG479E, ARG488E, ARG66D, ARG794E, ASN32D, ASN547E, ASP55D, ASP591E, GLN546E, GLN589E, GLN90D, GLU490E, GLY30D, GLY31D, GLY57D, GLY64D, HIS548E, ILE478E, ILE586E, LEU33D, LEU472E, LEU473E, LEU486E, LEU487E, LEU54D, LEU89D, LYS474E, PHE475E, PRO491E, PRO56D, PRO95D, SER476E, SER481E, SER52D, SER53D, SER65D, SER92D, SER93D, SER94D, THR480E, THR51D, TRP489E, TRP96D, TYR34D, TYR477E, TYR49D, TYR587E, TYR91D, VAL588E