1NFI

i-kappa-b-alpha/nf-kappa-b complex

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 60
  • Norm. En. per Res.: -5.7114
• 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	-42.7848	-94.5629	-205.702	-343.0497	61	9	6	7349	6	18	29
A-C	-5.6739	0.0	-51.0942	-56.7681	31	6	0	2199	0	3	6
A-E	-23.6896	-72.6874	-85.923	-182.3	47	7	0	3962	4	17	17
A-F	-62.9873	-84.3899	-267.181	-414.5582	148	31	8	13098	9	71	57
B-F	-12.1144	21.5482	-150.379	-140.9452	71	7	5	6279	0	15	11
C-D	-43.0648	-95.6018	-204.017	-342.6837	60	9	6	7319	7	18	28
C-E	-78.4885	-111.5307	-330.699	-520.7182	163	37	9	15290	9	72	56
D-E	-26.1091	21.5216	-150.727	-155.3144	71	6	5	6264	0	15	11

Interface residues

• A-B: ALA242A, ALA249A, ALA311B, ARG198A, ARG201A, ARG246A, ARG253A, ARG255B, ARG258B, ARG308B, ASN200A, ASN250B, ASP217A, ASP243A, ASP257B, ASP274B, ASP305B, CYS197A, CYS216A, CYS273B, GLN247A, GLN309B, GLU193A, GLU211A, GLU268B, HIS245A, HIS307B, ILE196A, ILE212A, ILE250A, ILE253B, ILE269B, ILE312B, LEU214A, LEU215A, LEU271B, LEU272B, LYS195A, LYS218A, LYS252B, LYS275B, LYS315B, MET256B, PHE213A, PHE239A, PHE252A, PHE301B, PHE310B, PHE314B, SER240A, SER302B, THR304B, TYR270B, VAL199A, VAL244A, VAL248A, VAL251A, VAL254B, VAL276B, VAL306B, VAL313B
• A-C: ALA102A, ARG166A, ARG171A, ARG302C, ASP167A, CYS105A, GLU103A, GLY170A, GLY320C, GLY68A, GLY70A, ILE312C, LEU104A, LYS310C, LYS314C, LYS315C, MET313C, PHE309C, PHE318C, PRO106A, PRO168A, PRO172A, PRO317C, PRO69A, SER169A, SER311C, SER316C, SER319C, THR71A, TYR66A, VAL165A
• A-E: ALA102A, ALA133E, ALA88E, ARG166A, ARG171A, ARG73A, ARG95E, ARG96A, ASP167A, ASP94A, ASP97A, CYS95A, GLN162A, GLN96E, GLU101A, GLU103A, GLU85E, GLU86E, GLU92E, GLY170A, GLY70A, GLY99E, HIS84E, ILE74A, LEU104A, LEU173A, LEU89E, LYS87E, LYS93A, LYS98E, MET91E, PHE77E, PHE99A, PRO106A, PRO172A, PRO69A, SER169A, THR164A, THR71A, THR90E, TYR100A, TYR66A, VAL163A, VAL165A, VAL72A, VAL93E, VAL97E
• A-F: ALA118F, ALA151F, ALA224F, ALA242A, ALA249A, ALA81F, ARG143F, ARG158A, ARG201A, ARG218F, ARG246A, ARG253A, ARG260F, ARG295A, ARG297A, ARG302A, ARG304A, ARG50A, ASN108F, ASN109F, ASN122F, ASN145F, ASN182F, ASN216F, ASP141F, ASP226F, ASP243A, ASP293A, ASP294A, ASP73F, ASP75F, CYS156F, CYS215F, GLN111F, GLN112F, GLN123F, GLN154F, GLN220A, GLN228F, GLN241A, GLN247A, GLN249F, GLN255F, GLN266F, GLN26A, GLN278F, GLN29A, GLU153F, GLU211A, GLU213F, GLU222A, GLU22A, GLU25A, GLU282F, GLU299A, GLU307A, GLU49A, GLU72F, GLU85F, GLU86F, GLY155F, GLY209A, GLY237A, GLY250F, GLY259F, GLY74F, HIS116F, HIS181A, HIS184F, HIS193F, HIS245A, HIS296A, HIS79F, HIS84F, ILE110A, ILE120F, ILE192F, ILE23A, ILE24A, ILE250A, ILE298A, ILE312A, ILE82F, ILE83F, LEU110F, LEU117F, LEU150F, LEU207A, LEU223F, LEU227F, LEU256F, LEU274F, LEU277F, LEU280F, LEU70F, LEU78F, LEU80F, LEU89F, LYS218A, LYS221A, LYS301A, LYS303A, LYS310A, LYS314A, LYS62A, LYS87F, MET279F, MET313A, PHE142F, PHE213A, PHE239A, PHE252A, PHE309A, PHE77F, PRO180A, PRO182A, PRO253F, PRO261F, PRO281F, SER159F, SER238A, SER240A, SER252F, SER311A, SER76F, THR121F, THR247F, THR257F, THR263F, THR292A, THR305A, THR308A, THR52A, THR54A, THR55A, THR57A, THR71F, THR90F, TRP258F, TYR195F, TYR251F, TYR254F, TYR306A, VAL119F, VAL225F, VAL244A, VAL251A, VAL93F
• B-F: ALA178F, ALA260B, ALA328B, ARG140F, ARG143F, ARG218F, ARG255B, ARG258B, ASN105F, ASN108F, ASN109F, ASN180F, ASN182F, ASN216F, ASP136F, ASP141F, ASP226F, ASP257B, ASP274B, CYS215F, CYS262B, CYS273B, GLN107F, GLN111F, GLN112F, GLN249F, GLU138F, GLU213F, GLU282F, GLU344B, GLU353B, GLY144F, GLY183F, GLY217F, GLY250F, GLY261B, GLY74F, ILE253B, ILE354B, LEU110F, LEU139F, LEU223F, LEU256F, LEU271B, LEU272B, LEU349B, LYS252B, LYS326B, LYS346B, LYS355B, MET256B, PHE142F, PHE310B, PHE348B, PRO214F, PRO327B, PRO347B, PRO352B, SER329B, THR179F, THR247F, THR259B, THR325B, TYR181F, TYR248F, TYR251F, TYR270B, TYR350B, TYR351B, VAL246F, VAL254B
• C-D: ALA242C, ALA249C, ALA311D, ARG198C, ARG201C, ARG246C, ARG253C, ARG255D, ARG258D, ARG308D, ASN200C, ASN250D, ASP217C, ASP243C, ASP257D, ASP274D, ASP305D, CYS197C, CYS216C, CYS273D, GLN247C, GLN309D, GLU193C, GLU211C, GLU268D, HIS245C, HIS307D, ILE196C, ILE212C, ILE250C, ILE269D, ILE312D, LEU214C, LEU215C, LEU271D, LEU272D, LYS195C, LYS218C, LYS252D, LYS275D, LYS315D, MET256D, PHE213C, PHE239C, PHE252C, PHE301D, PHE310D, PHE314D, SER240C, SER302D, THR304D, TYR270D, VAL199C, VAL244C, VAL248C, VAL251C, VAL254D, VAL276D, VAL306D, VAL313D
• C-E: ALA118E, ALA151E, ALA224E, ALA242C, ALA249C, ALA81E, ARG143E, ARG158C, ARG201C, ARG218E, ARG246C, ARG253C, ARG260E, ARG295C, ARG297C, ARG302C, ARG304C, ARG50C, ARG95E, ASN108E, ASN109E, ASN122E, ASN145E, ASN182E, ASN216E, ASP100E, ASP141E, ASP226E, ASP243C, ASP293C, ASP294C, ASP73E, ASP75E, CYS156E, CYS215E, GLN111E, GLN112E, GLN123E, GLN154E, GLN220C, GLN228E, GLN241C, GLN247C, GLN249E, GLN255E, GLN266E, GLN26C, GLN278E, GLN29C, GLN96E, GLU153E, GLU211C, GLU213E, GLU222C, GLU22C, GLU25C, GLU282E, GLU299C, GLU300C, GLU307C, GLU49C, GLU72E, GLU85E, GLU86E, GLU92E, GLY155E, GLY209C, GLY237C, GLY250E, GLY259E, GLY320C, GLY74E, HIS116E, HIS181C, HIS184E, HIS193E, HIS245C, HIS296C, HIS79E, HIS84E, ILE110C, ILE120E, ILE192E, ILE23C, ILE24C, ILE250C, ILE298C, ILE312C, ILE82E, ILE83E, ILE94E, LEU110E, LEU117E, LEU150E, LEU207C, LEU223E, LEU227E, LEU256E, LEU274E, LEU277E, LEU280E, LEU70E, LEU78E, LEU80E, LEU89E, LYS218C, LYS221C, LYS301C, LYS303C, LYS310C, LYS314C, LYS62C, LYS87E, LYS98E, MET279E, MET313C, PHE103E, PHE142E, PHE213C, PHE239C, PHE252C, PHE309C, PHE318C, PHE77E, PRO180C, PRO182C, PRO253E, PRO261E, PRO281E, PRO317C, SER159E, SER238C, SER240C, SER252E, SER311C, SER316C, SER319C, SER51C, SER76E, THR121E, THR247E, THR257E, THR263E, THR292C, THR305C, THR308C, THR52C, THR54C, THR55C, THR57C, THR71E, THR90E, TRP258E, TYR195E, TYR251E, TYR254E, TYR306C, VAL119E, VAL225E, VAL244C, VAL251C, VAL93E, VAL97E
• D-E: ALA178E, ALA260D, ALA328D, ARG140E, ARG143E, ARG218E, ARG255D, ARG258D, ASN105E, ASN108E, ASN109E, ASN180E, ASN182E, ASN216E, ASP136E, ASP141E, ASP226E, ASP257D, ASP274D, ASP73E, CYS215E, CYS262D, CYS273D, GLN107E, GLN111E, GLN112E, GLN249E, GLU138E, GLU213E, GLU282E, GLU344D, GLU353D, GLY144E, GLY183E, GLY217E, GLY250E, GLY261D, ILE253D, ILE354D, LEU110E, LEU139E, LEU223E, LEU256E, LEU271D, LEU272D, LEU349D, LYS252D, LYS275D, LYS326D, LYS346D, LYS355D, MET256D, PHE142E, PHE310D, PHE348D, PRO214E, PRO327D, PRO347D, PRO352D, SER329D, THR179E, THR247E, THR259D, THR325D, TYR181E, TYR248E, TYR251E, TYR350D, TYR351D, VAL246E, VAL254D