3HA0

crystal structure of the ige-fc3-4 domains

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 108
  • Norm. En. per Res.: -3.4608
• Hub Node: A(4)

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	-42.691	9.1247	-340.203	-373.7693	108	7	5	13193	0	25	28
A-C	0.0	4.6268	-51.1958	-46.569	34	5	0	2663	0	4	9
A-D	-32.9656	-10.2965	-115.907	-159.169	73	12	1	5612	0	19	14
A-E	-5.9309	0.4602	-34.6793	-40.15	22	0	0	1637	0	2	10
B-C	0.0	0.0	-3.0739	-3.0739	7	1	0	180	0	3	3
B-F	0.0	0.0	-1.2823	-1.2823	11	0	0	181	0	1	6
C-D	-19.525	22.4712	-259.96	-257.0138	107	5	6	10871	0	24	29
C-F	-44.5207	-8.0221	-118.28	-170.8228	71	7	1	5517	0	19	15
D-E	0.0	-2.7035	-0.2709	-2.9744	3	0	0	58	0	5	5
D-F	-6.7812	5.2498	-62.6389	-64.1703	34	1	0	2682	0	4	8
E-F	-38.5409	10.8988	-320.01	-347.6521	115	18	6	12984	0	26	28

Interface residues

• A-B: ALA442A, ALA442B, ALA447A, ALA447B, ALA449A, ALA449B, ALA463A, ALA463B, ALA488A, ALA488B, ARG393B, ARG460A, ARG460B, ARG489A, ARG489B, ARG496A, ARG496B, ARG508A, ARG508B, ARG539A, ARG539B, ASN468A, ASN468B, ASP487A, ASP487B, CYS464A, CYS464B, GLN467A, GLN467B, GLN494A, GLN494B, GLN538A, GLN538B, GLU444A, GLU444B, GLU452A, GLU452B, GLU510A, GLU510B, GLY500A, GLY500B, GLY502A, GLY502B, HIS490A, HIS490B, ILE466A, ILE466B, LEU462A, LEU462B, LEU465A, LEU465B, LEU509A, LEU509B, LYS459A, LYS459B, LYS497A, LYS497B, LYS499A, LYS499B, PHE448A, PHE448B, PHE469B, PHE503A, PHE503B, PHE504A, PHE504B, PHE506A, PHE506B, PRO443A, PRO443B, PRO451A, PRO451B, PRO454A, PRO454B, PRO486B, PRO495A, PRO495B, SER456A, SER456B, SER491A, SER491B, SER501A, SER501B, SER507A, SER507B, THR450A, THR450B, THR461A, THR461B, THR492A, THR492B, THR493A, THR493B, THR498A, THR498B, TRP453A, TRP453B, TRP478A, TRP478B, TYR446A, TYR446B, VAL445A, VAL445B, VAL505A, VAL505B, VAL537A, VAL537B, VAL541A
• A-C: ALA441A, ARG342A, ARG440A, ARG457C, ARG460C, ARG513C, ASP458C, ASP473A, GLU452C, GLU472A, GLU529A, GLY438A, GLY455C, GLY500A, GLY502A, LYS435A, LYS459C, LYS497A, LYS499A, MET470A, PHE469A, PHE503A, PRO439A, PRO451C, PRO454C, PRO471A, SER437A, SER456C, SER501A, THR434A, THR436A, THR450C, THR498A, TRP453C
• A-D: ALA377A, ALA441A, ALA441D, ALA442D, ALA447D, ALA526D, ALA530A, ALA530D, ALA531A, ALA531D, ALA540D, ARG376A, ARG408A, ARG440A, ARG440D, ARG525D, ARG539D, ASN468D, ASN481D, ASP409A, CYS524D, GLN467D, GLN535A, GLN535D, GLN538D, GLU412A, GLU414A, GLU444D, GLU482D, GLU521D, GLU529A, GLU529D, GLY379A, GLY413A, GLY438A, HIS528A, ILE350D, ILE411A, ILE466D, ILE523D, LEU348A, LEU465D, LEU479D, LYS352A, LYS352D, LYS380A, LYS435A, LYS519D, MET470A, PHE349A, PHE349D, PHE469D, PRO439A, PRO443D, PRO533A, PRO533D, SER378A, SER432A, SER437A, SER532A, SER532D, SER534A, SER534D, THR407A, THR415A, THR433A, THR434A, THR436A, THR536D, TRP410A, TYR446D, VAL445D, VAL537D
• A-E: ALA364E, ALA428A, ARG393E, ARG419A, ARG427A, GLN371A, GLN417A, GLY368E, HIS422A, HIS424A, LEU425A, LEU429A, LYS367E, LYS391E, MET430A, PRO365E, PRO423A, PRO423E, PRO426A, SER366E, THR421A, VAL420A
• B-C: ARG393B, ARG457C, ARG460C, ARG513C, ASN544C, GLU452C, GLU517C
• B-F: ARG427F, GLY395B, HIS422F, HIS424B, HIS424F, LEU425F, LYS367B, PRO365B, PRO423F, PRO426F, SER366B
• C-D: ALA447C, ALA447D, ALA449C, ALA449D, ALA463C, ALA463D, ALA488C, ALA488D, ARG393D, ARG460C, ARG460D, ARG489C, ARG489D, ARG496C, ARG496D, ARG508C, ARG508D, ARG539C, ARG539D, ASN468C, ASN468D, ASP487C, ASP487D, CYS464C, CYS464D, GLN467C, GLN467D, GLN494C, GLN494D, GLU444C, GLU444D, GLU452C, GLU452D, GLU510C, GLU510D, GLU515C, GLU515D, GLY500C, GLY500D, GLY502C, GLY502D, HIS490C, HIS490D, ILE466C, ILE466D, LEU462C, LEU462D, LEU465C, LEU465D, LEU485C, LEU485D, LEU509C, LEU509D, LYS459C, LYS459D, LYS497C, LYS497D, LYS499C, LYS499D, PHE448C, PHE448D, PHE469C, PHE469D, PHE503C, PHE503D, PHE504C, PHE504D, PHE506C, PHE506D, PRO451C, PRO451D, PRO486C, PRO486D, PRO495C, SER456C, SER456D, SER491C, SER491D, SER501C, SER507C, SER507D, THR450C, THR450D, THR461C, THR461D, THR492C, THR492D, THR493C, THR493D, THR498C, THR498D, THR512C, THR512D, TRP453C, TRP453D, TRP478C, TRP478D, TYR446C, TYR446D, VAL445C, VAL445D, VAL505C, VAL505D, VAL511C, VAL511D, VAL541C, VAL541D
• C-F: ALA377F, ALA441C, ALA441F, ALA442C, ALA447C, ALA526C, ALA530C, ALA530F, ALA531C, ALA531F, ALA540C, ARG376F, ARG408F, ARG440C, ARG440F, ARG525C, ARG539C, ASN468C, ASN481C, ASP409F, CYS524C, GLN467C, GLN535C, GLN535F, GLN538C, GLU412F, GLU414F, GLU444C, GLU482C, GLU521C, GLU529F, GLY379F, GLY413F, GLY438F, HIS528C, ILE350C, ILE411F, ILE466C, ILE523C, LEU348F, LEU465C, LEU479C, LYS352C, LYS352F, LYS380F, LYS435F, LYS519C, MET470F, PHE349C, PHE349F, PRO439F, PRO443C, PRO533C, PRO533F, SER378F, SER432F, SER437F, SER532C, SER532F, SER534C, SER534F, THR407F, THR415F, THR433F, THR434F, THR436F, THR536C, TRP410F, TYR446C, VAL445C, VAL537C
• D-E: ARG393E, ASN544D, ASP520D
• D-F: ARG342F, ARG440F, ARG457D, ARG496F, ARG513D, ASP458D, ASP473F, GLU452D, GLU472F, GLY438F, GLY455D, GLY500F, GLY502F, LYS435F, LYS459D, LYS497F, LYS499F, MET470F, PHE469F, PHE503F, PRO439F, PRO451D, PRO454D, PRO471F, PRO495F, SER437F, SER456D, SER501F, THR434F, THR436F, THR450D, THR461D, THR498F, TRP453D
• E-F: ALA364F, ALA441E, ALA442E, ALA442F, ALA447E, ALA447F, ALA449E, ALA449F, ALA463E, ALA463F, ALA488E, ALA488F, ARG460E, ARG460F, ARG489E, ARG489F, ARG496E, ARG496F, ARG508E, ARG508F, ARG539E, ARG539F, ASN468E, ASN468F, ASP487E, CYS464E, CYS464F, GLN467E, GLN467F, GLN494E, GLN494F, GLN538F, GLU444E, GLU444F, GLU452E, GLU452F, GLU510E, GLU510F, GLY455F, GLY500E, GLY500F, GLY502E, GLY502F, HIS490E, HIS490F, ILE466E, ILE466F, LEU363E, LEU363F, LEU462E, LEU462F, LEU465E, LEU465F, LEU509E, LEU509F, LYS459E, LYS459F, LYS497E, LYS497F, LYS499E, LYS499F, PHE448E, PHE448F, PHE469E, PHE503E, PHE503F, PHE504E, PHE504F, PHE506E, PHE506F, PRO443E, PRO443F, PRO451E, PRO451F, PRO454E, PRO454F, PRO495E, PRO495F, SER337F, SER456E, SER456F, SER491E, SER491F, SER501E, SER501F, SER507E, SER507F, THR450E, THR450F, THR461E, THR461F, THR492E, THR492F, THR493E, THR493F, THR498E, THR498F, THR512F, TRP453E, TRP453F, TRP478E, TRP478F, TYR339F, TYR446E, TYR446F, VAL336E, VAL336F, VAL445E, VAL445F, VAL505E, VAL505F, VAL511F, VAL537E, VAL537F, VAL541F