2Y1L

caspase-8 in complex with darpin-8.4

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-H
  • Int. Res.: 29
  • Norm. En. per Res.: -7.9108
• Hub Node: A(5)

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	-238.5839	23.1398	-837.718	-1053.1621	168	55	16	28821	0	38	36
A-C	0.0	0.0	-53.59	-53.59	43	16	5	2696	0	0	3
A-D	-74.7227	-16.8561	-149.499	-241.0778	52	16	3	5085	2	11	8
A-F	-66.5564	-38.5162	-252.084	-357.1566	108	29	3	11169	9	46	50
A-H	-35.2787	-65.4852	-18.0885	-118.8524	31	15	0	1796	4	13	9
B-C	-70.3044	-37.552	-112.511	-220.3674	43	12	2	3494	3	10	7
B-D	-41.7139	4.9109	-504.301	-541.1041	112	33	1	17655	0	37	33
B-H	-69.4581	-54.2841	-105.672	-229.4142	29	6	1	3304	3	7	5
C-D	-226.3344	-11.1846	-861.843	-1099.362	168	65	16	29328	0	41	41
C-E	-76.4368	-29.2004	-281.22	-386.8572	105	24	4	11432	7	45	51
C-G	-42.5434	-73.2378	-35.5559	-151.3371	31	12	0	1797	5	12	9
D-G	-60.6147	-54.6819	-82.2773	-197.574	29	12	0	2853	3	7	5

Interface residues

• A-B: ALA267A, ALA269A, ALA349A, ALA359A, ALA397B, ALA404B, ALA416B, ARG233A, ARG258A, ARG260A, ARG413B, ARG430B, ARG432B, ARG435B, ARG471B, ASN240A, ASN241A, ASN261A, ASN364A, ASN407B, ASN408B, ASN414B, ASN458B, ASP223A, ASP259A, ASP266A, ASP308A, ASP319A, ASP363A, ASP395B, ASP398B, ASP438B, ASP454B, ASP455B, CYS309A, CYS312A, CYS313A, CYS345A, CYS360A, CYS409B, CYS426B, CYS433B, GLN227A, GLN339A, GLN358A, GLN361A, GLN366A, GLN423B, GLN427B, GLN462B, GLN465B, GLU276A, GLU396B, GLU417B, GLU431B, GLY262A, GLY268A, GLY318A, GLY321A, GLY342A, GLY350A, GLY362A, GLY368A, GLY402B, GLY418B, GLY436B, GLY460B, HIS242A, HIS264A, HIS278A, HIS317A, ILE238A, ILE257A, ILE311A, ILE314A, ILE322A, ILE323A, ILE333A, ILE357A, ILE369A, ILE393B, ILE422B, ILE439B, ILE442B, LEU222A, LEU265A, LEU270A, LEU277A, LEU315A, LEU336A, LEU343A, LEU348A, LEU400B, LEU401B, LEU425B, LEU429B, LEU440B, LEU443B, LEU470B, LEU474B, LYS224A, LYS229A, LYS231A, LYS320A, LYS344A, LYS351A, LYS353A, LYS367A, LYS453B, LYS457B, LYS461B, LYS472B, LYS473B, MET228A, MET403B, MET459B, MET463B, PHE244A, PHE274A, PHE279A, PHE310A, PHE340A, PHE355A, PHE356A, PHE399B, PHE468B, PHE476B, PRO346A, PRO352A, PRO370A, PRO394B, PRO415B, PRO434B, PRO464B, PRO466B, PRO477B, SER230A, SER316A, SER338A, SER411B, SER424B, SER428B, SER451B, SER478B, THR263A, THR271A, THR272A, THR273A, THR337A, THR341A, THR405B, THR419B, THR467B, THR469B, TRP420B, TYR226A, TYR334A, TYR365A, TYR392B, TYR412B, TYR421B, VAL225A, VAL354A, VAL406B, VAL410B, VAL446B, VAL450B, VAL475B
• A-C: ALA349A, ALA349C, ASN364A, ASN364C, CYS345A, CYS345C, GLN366A, GLN366C, GLY342A, GLY342C, GLY350A, GLY350C, GLY368A, GLY368C, ILE369A, ILE369C, LEU343A, LEU343C, LEU348A, LEU348C, LYS320C, LYS344A, LYS344C, LYS351A, LYS351C, LYS353A, LYS353C, LYS367A, LYS367C, PHE340C, PRO346A, PRO346C, PRO370A, PRO370C, SER347A, SER347C, THR341A, THR341C, TYR226C, TYR334A, TYR334C, TYR365C, VAL371A
• A-D: ALA397D, ARG391D, ARG432D, ARG435D, ARG471D, ASN364A, ASN407D, ASN408D, ASN447D, ASN452D, ASP223A, ASP395D, ASP398D, ASP437D, ASP438D, CYS409D, GLN366A, GLN465D, GLU396D, GLU431D, GLU445D, GLU449D, GLY368A, ILE369A, ILE393D, ILE442D, LEU222A, LEU440D, LEU443D, LYS224A, LYS367A, LYS472D, MET463D, PHE399D, PRO370A, PRO394D, SER428D, SER451D, THR337A, THR390D, THR441D, THR444D, THR469D, TYR226A, TYR334A, TYR365A, TYR392D, TYR448D, VAL225A, VAL371A, VAL406D, VAL446D
• A-F: ALA120F, ALA121F, ALA162F, ALA21F, ALA245A, ALA247A, ALA24F, ALA45F, ALA55F, ALA79F, ARG233A, ARG23F, ARG26F, ARG85F, ASN156F, ASN158F, ASN306A, ASN57F, ASP110F, ASP143F, ASP151F, ASP155F, ASP160F, ASP285A, ASP286A, ASP303A, ASP327A, ASP44F, ASP77F, CYS287A, CYS345A, GLN291A, GLN300A, GLN329A, GLU112F, GLU159F, GLU20F, GLU249A, GLU280A, GLU290A, GLU294A, GLU43F, GLY113F, GLY124F, GLY157F, GLY234A, GLY47F, GLY58F, GLY80F, GLY91F, HIS114F, HIS118F, HIS125F, HIS284A, HIS304A, HIS52F, HIS59F, HIS78F, HIS92F, ILE152F, ILE154F, ILE239A, ILE292A, ILE295A, ILE298A, LEU119F, LEU161F, LEU19F, LEU237A, LEU296A, LEU301A, LEU53F, LEU86F, LEU89F, LYS144F, LYS147F, LYS16F, LYS17F, LYS231A, LYS246A, LYS250A, LYS282A, LYS297A, MET111F, MET122F, MET302A, MET307A, MET81F, PHE123F, PHE145F, PHE310A, PHE56F, PHE90F, PRO232A, PRO283A, PRO346A, SER153F, SER230A, SER305A, SER347A, SER46F, THR288A, THR326A, TRP48F, TYR235A, TYR293A, TYR299A, VAL289A
• A-H: ALA359A, ARG258A, ARG260A, ASN241A, ASN261A, ASN364A, ASP259A, ASP266A, ASP319A, ASP363A, ASP4H, CYS360A, GLN358A, GLN361A, GLN366A, GLU2H, GLY262A, GLY318A, GLY362A, HIS317A, ILE1H, ILE257A, ILE323A, ILE357A, LEU315A, PHE244A, SER316A, THR263A, THR3H, TYR324A, TYR365A
• B-C: ALA397B, ARG432B, ARG435B, ARG471B, ASN364C, ASN407B, ASN408B, ASN447B, ASN452B, ASP223C, ASP395B, ASP398B, ASP437B, CYS409B, GLN366C, GLN465B, GLU396B, GLU445B, GLU449B, GLY368C, ILE369C, ILE393B, ILE442B, LEU343C, LYS224C, LYS367C, MET459B, MET463B, PHE399B, PRO370C, PRO394B, SER338C, THR337C, THR441B, THR444B, THR469B, TYR226C, TYR334C, TYR365C, TYR392B, TYR448B, VAL225C, VAL406B
• B-D: ALA397B, ALA397D, ARG391D, ARG432B, ARG432D, ARG435B, ARG435D, ARG471B, ARG471D, ASN407B, ASN407D, ASN408B, ASN408D, ASN447B, ASN447D, ASN452B, ASN452D, ASP395B, ASP395D, ASP398B, ASP398D, ASP437B, ASP437D, ASP438B, ASP438D, ASP454B, ASP454D, CYS409B, CYS409D, GLN462B, GLN462D, GLN465B, GLN465D, GLU396B, GLU396D, GLU445B, GLU445D, GLU449B, GLU449D, GLY402B, GLY402D, GLY460B, GLY460D, ILE393B, ILE393D, ILE439B, ILE439D, ILE442B, ILE442D, LEU400B, LEU400D, LEU401B, LEU401D, LEU440B, LEU440D, LEU443B, LEU443D, LEU470B, LEU470D, LEU474B, LEU474D, LYS453B, LYS453D, LYS456D, LYS461B, LYS461D, LYS472B, LYS472D, LYS473B, LYS473D, MET403B, MET403D, MET459B, MET459D, MET463B, MET463D, PHE399B, PHE399D, PHE468B, PHE468D, PRO394B, PRO394D, PRO464B, PRO464D, PRO466B, PRO466D, SER451B, SER451D, THR405B, THR405D, THR441B, THR441D, THR444B, THR444D, THR467B, THR467D, THR469B, THR469D, TRP420B, TRP420D, TYR392B, TYR392D, TYR412B, TYR412D, TYR448B, TYR448D, VAL406B, VAL406D, VAL446B, VAL446D, VAL450B, VAL450D
• B-H: ALA404B, ALA416B, ARG413B, ASN414B, ASN458B, ASP454B, ASP455B, ASP4H, CYS409B, GLN462B, GLU2H, GLU417B, GLY418B, GLY460B, ILE1H, ILE422B, LYS453B, LYS456B, LYS457B, LYS461B, PRO415B, SER411B, THR3H, THR405B, THR419B, TRP420B, TYR412B, TYR421B, VAL410B
• C-D: ALA267C, ALA269C, ALA349C, ALA359C, ALA397D, ALA404D, ALA416D, ARG233C, ARG258C, ARG260C, ARG391D, ARG413D, ARG430D, ARG432D, ARG471D, ASN240C, ASN241C, ASN261C, ASN364C, ASN407D, ASN408D, ASN414D, ASN458D, ASP223C, ASP259C, ASP266C, ASP308C, ASP319C, ASP363C, ASP395D, ASP398D, ASP438D, ASP454D, ASP455D, ASP479D, CYS236C, CYS309C, CYS312C, CYS313C, CYS345C, CYS360C, CYS409D, CYS426D, CYS433D, GLN227C, GLN339C, GLN358C, GLN361C, GLN366C, GLN423D, GLN427D, GLN462D, GLN465D, GLU276C, GLU396D, GLU417D, GLU431D, GLY262C, GLY268C, GLY318C, GLY321C, GLY342C, GLY350C, GLY362C, GLY368C, GLY402D, GLY418D, GLY436D, GLY460D, HIS242C, HIS264C, HIS278C, HIS317C, ILE238C, ILE257C, ILE311C, ILE314C, ILE322C, ILE323C, ILE333C, ILE357C, ILE369C, ILE393D, ILE422D, ILE439D, ILE442D, LEU265C, LEU270C, LEU277C, LEU315C, LEU336C, LEU343C, LEU348C, LEU400D, LEU401D, LEU425D, LEU429D, LEU440D, LEU443D, LEU470D, LEU474D, LYS224C, LYS229C, LYS231C, LYS320C, LYS344C, LYS351C, LYS353C, LYS367C, LYS457D, LYS461D, LYS472D, LYS473D, MET228C, MET403D, MET459D, MET463D, PHE244C, PHE274C, PHE279C, PHE310C, PHE340C, PHE355C, PHE356C, PHE399D, PHE468D, PHE476D, PRO232C, PRO346C, PRO352C, PRO394D, PRO415D, PRO434D, PRO464D, PRO466D, PRO477D, SER230C, SER316C, SER338C, SER411D, SER424D, SER428D, SER451D, SER478D, THR263C, THR271C, THR272C, THR273C, THR337C, THR341C, THR405D, THR419D, THR467D, THR469D, TRP420D, TYR226C, TYR334C, TYR365C, TYR392D, TYR412D, TYR421D, VAL225C, VAL354C, VAL406D, VAL410D, VAL446D, VAL450D, VAL475D
• C-E: ALA120E, ALA121E, ALA21E, ALA245C, ALA247C, ALA24E, ALA45E, ALA79E, ARG233C, ARG23E, ARG26E, ARG85E, ASN156E, ASN158E, ASN306C, ASN57E, ASP110E, ASP143E, ASP151E, ASP155E, ASP160E, ASP285C, ASP286C, ASP303C, ASP327C, ASP44E, ASP77E, CYS287C, CYS345C, GLN291C, GLN300C, GLN329C, GLU112E, GLU159E, GLU20E, GLU249C, GLU280C, GLU290C, GLU294C, GLU43E, GLY124E, GLY157E, GLY234C, GLY25E, GLY47E, GLY58E, GLY80E, GLY91E, HIS114E, HIS118E, HIS125E, HIS284C, HIS304C, HIS52E, HIS59E, HIS78E, HIS92E, ILE152E, ILE154E, ILE239C, ILE281C, ILE292C, ILE295C, ILE298C, LEU119E, LEU19E, LEU237C, LEU296C, LEU301C, LEU53E, LEU86E, LEU89E, LYS147E, LYS16E, LYS17E, LYS231C, LYS246C, LYS250C, LYS282C, LYS297C, MET111E, MET122E, MET302C, MET307C, MET81E, PHE123E, PHE145E, PHE310C, PHE56E, PHE90E, PRO232C, PRO283C, PRO346C, SER153E, SER230C, SER305C, SER347C, SER46E, THR288C, THR326C, TRP48E, TYR235C, TYR293C, TYR299C, VAL289C
• C-G: ALA359C, ARG258C, ARG260C, ASN241C, ASN261C, ASN364C, ASP259C, ASP266C, ASP319C, ASP363C, ASP4G, CYS360C, GLN358C, GLN361C, GLU2G, GLY262C, GLY318C, GLY362C, HIS242C, HIS317C, ILE1G, ILE257C, ILE323C, ILE357C, LEU315C, PHE244C, SER316C, THR263C, THR3G, TYR324C, TYR365C
• D-G: ALA404D, ALA416D, ARG413D, ASN414D, ASN458D, ASP454D, ASP455D, ASP4G, CYS409D, GLN462D, GLU2G, GLU417D, GLY418D, GLY460D, ILE1G, ILE422D, LYS453D, LYS456D, LYS457D, LYS461D, PRO415D, SER411D, THR3G, THR405D, THR419D, TRP420D, TYR412D, TYR421D, VAL410D