3OQ9

structure of the fas/fadd death domain assembly

• Total interactions analyzed: 45
• Total true interactions: 28
• Strongest Interaction:
  • Chains: I-L
  • Int. Res.: 10
  • Norm. En. per Res.: -4.8713
• Hub Node: B(6)

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	-15.3307	9.1642	-47.6584	-53.8249	37	8	0	3429	0	27	32
A-C	0.0	-11.1598	-10.258	-21.4178	16	0	0	797	0	4	8
A-D	0.0	-7.8363	-12.9895	-20.8258	16	1	0	763	0	4	7
A-E	-7.1475	2.4765	-37.3063	-41.9773	40	3	0	2276	1	27	28
A-H	0.0	-5.5099	-30.3111	-35.821	36	0	0	2113	0	11	9
B-C	-9.5827	-2.9884	-14.0579	-26.6291	44	24	0	3018	3	33	31
B-D	0.0	-8.2853	-7.7883	-16.0736	14	0	0	609	0	4	4
B-E	0.0	-5.471	-0.8694	-6.3404	10	0	0	177	0	2	2
B-H	0.0	-36.1889	-23.0102	-59.1991	31	1	0	1544	2	20	24
B-I	-24.565	-3.661	-56.0204	-84.2464	41	5	1	2747	2	12	9
B-J	0.0	-0.7652	-34.0119	-34.7771	34	4	0	2198	0	23	19
C-D	0.0	15.4402	-41.6399	-26.1997	39	24	0	3972	0	30	34
C-J	0.0	-2.0446	-47.1642	-49.2088	38	1	1	2414	0	11	9
D-E	-4.4147	17.7858	-37.3479	-23.9768	34	7	0	2551	0	25	29
D-J	0.0	-60.3697	-38.887	-99.2567	41	5	0	2588	1	21	22
D-K	0.0	-6.2719	-39.7789	-46.0508	42	6	1	2588	0	10	12
E-H	0.0	-1.9657	-13.0127	-14.9784	26	0	0	1225	0	21	19
E-K	0.0	-24.7732	-27.5373	-52.3105	30	0	0	1835	0	19	21
E-L	-10.5058	-5.9102	-63.2604	-79.6764	43	9	1	3222	0	11	12
H-I	-17.833	-50.4797	-66.3955	-134.7082	37	8	0	2636	3	23	22
H-J	0.0	-21.6859	-7.6314	-29.3174	9	0	0	307	1	3	4
H-K	-2.647	-34.6439	-10.0269	-47.3178	12	0	0	335	2	3	4
H-L	-17.6317	-74.3712	-29.6026	-121.6055	34	3	0	1953	5	34	26
I-J	-16.4083	-75.8851	-29.1493	-121.4427	35	3	0	1793	5	33	25
I-K	-2.9819	-47.1554	-7.7624	-57.8998	12	3	0	395	2	5	4
I-L	0.0	-39.5641	-9.1491	-48.7131	10	1	0	282	2	3	3
J-K	-21.5549	-44.2372	-56.5429	-122.335	38	11	0	2521	3	24	22
K-L	-24.929	-44.8726	-53.3245	-123.1261	34	5	0	2406	3	23	23

Interface residues

• A-B: ALA229B, ALA263B, ARG227B, ASP231B, ASP252A, ASP257A, ASP261A, ASP261B, GLN235B, GLN260A, GLN260B, GLN265A, GLN265B, GLU230B, GLU236B, GLU248A, GLU253A, GLU264B, GLY249A, HIS256A, ILE234B, ILE251A, ILE254A, ILE259A, ILE259B, LYS238B, LYS247A, LYS250A, LYS266B, LYS301B, MET232B, MET255A, MET255B, SER258A, SER258B, THR233B, THR262B
• A-C: ALA263C, ASP257C, ASP261C, GLN235A, GLN260A, GLN260C, GLN265C, GLU264C, HIS256A, HIS256C, ILE259A, ILE259C, MET255A, MET255C, SER258C, THR262C
• A-D: ALA263A, ASP257A, ASP261A, GLN235D, GLN260A, GLN260D, GLN265A, GLU264A, HIS256A, HIS256D, ILE259A, ILE259D, LYS238D, MET255A, MET255D, SER258A
• A-E: ALA229A, ALA263A, ALA293E, ARG227A, ARG242E, ASN245E, ASP231A, ASP252E, ASP257A, ASP261A, CB9.48905-3.52847, GLN235E, GLN260A, GLN265A, GLN268A, GLN275A, GLU230A, GLU236E, GLU243E, GLU248E, GLU264A, GLU294E, GLY249E, ILE225A, ILE251E, ILE259E, LEU271A, LYS223A, LYS223A5, LYS238E, LYS239E, LYS266A, LYS292E, MET232A, MET255E, PRO226A, SER258A, THR262A, TYR274A, VAL267A
• A-H: ARG114H, ARG166H, ASN107H, ASN171H, ASN245A, ASP111H, ASP175H, ASP257A, CYS168H, CYS272A, GLN169H, GLN265A, GLN268A, GLN275A, GLU253A, GLU264A, GLY249A, GLY278A, HIS277A, ILE225A, ILE246A, ILE254A, LEU172H, LEU271A, LYS110H, LYS223A, LYS247A, LYS250A, LYS279A, MET170H, SER167H, SER276A, TRP273A, TYR274A, VAL108H, VAL173H
• B-C: ALA229C, ALA263C, ALA293B, ARG227C, ARG242B, ASN244B, ASN245B, ASP231C, ASP252B, ASP257C, ASP261C, GLN235B, GLN265C, GLN268C, GLN275C, GLU230C, GLU236B, GLU243B, GLU248B, GLU264C, GLU294B, GLY249B, ILE225C, ILE228C, ILE234B, ILE251B, ILE259B, LEU271C, LYS223C, LYS238B, LYS239B, LYS247B, LYS266C, LYS292B, MET232C, MET255B, MET305C, PRO226C, SER258C, THR233B, THR262C, TYR224C, TYR274C, VAL267C
• B-D: ALA263D, ASP257D, ASP261D, GLN235B, GLN260B, GLN260D, GLN265D, GLU264D, HIS256B, HIS256D, ILE259B, ILE259D, SER258D, THR262D
• B-E: ALA263B, ASP261B, GLN260B, GLN260E, GLN265B, HIS256B, HIS256E, ILE259B, ILE259E, SER258B
• B-H: ALA229B, ALA263B, ARG113H, ARG114H, ARG117H, ARG227B, ASP111H, ASP123H, ASP231B, ASP261B, CYS168H, GLN118H, GLN265B, GLN268B, GLU130H, GLU230B, GLU264B, ILE126H, ILE225B, LEU271B, LYS110H, LYS120H, LYS223B, LYS266B, MET232B, MET305B, PRO226B, SER122H, THR262B, TRP112H, VAL267B
• B-I: ALA174I, ARG114I, ARG166I, ASN107I, ASN171I, ASN245B, ASP111I, ASP175I, ASP257B, CYS168I, CYS272B, GLN118I, GLN169I, GLN178I, GLN265B, GLN268B, GLN275B, GLU253B, GLU264B, GLY249B, GLY278B, HIS277B, ILE225B, ILE246B, ILE254B, LEU165I, LEU172I, LEU176I, LEU271B, LYS110I, LYS223B, LYS247B, LYS250B, LYS279B, MET170I, SER167I, SER276B, TRP273B, TYR274B, VAL108I, VAL173I
• B-J: ARG113J, ARG135J, ARG140J, ASN102J, ASN107J, ASN136J, ASP106J, ASP111J, ASP252B, ASP257B, CYS105J, GLU248B, GLU253B, GLY109J, GLY249B, HIS256B, ILE251B, ILE254B, ILE259B, LEU137J, LEU172J, LEU176J, LYS110J, LYS238B, LYS247B, LYS250B, MET170J, MET255B, SER258B, THR138J, TRP112J, VAL103J, VAL108J, VAL173J
• C-D: ALA229D, ALA263C, ALA263D, ARG227D, ASP231D, ASP252C, ASP257C, ASP261C, ASP261D, GLN235D, GLN260C, GLN260D, GLN265C, GLN265D, GLN268C, GLU230D, GLU236D, GLU248C, GLU253C, GLU264D, GLY249C, HIS256C, ILE234D, ILE251C, ILE254C, ILE259C, ILE259D, LYS238D, LYS247C, LYS250C, LYS266D, LYS301D, MET232D, MET255C, MET255D, SER258C, SER258D, THR233D, THR262D
• C-J: ALA174J, ARG114J, ARG166J, ASN107J, ASN171J, ASN245C, ASP111J, ASP175J, ASP257C, CYS168J, CYS272C, GLN169J, GLN265C, GLN268C, GLN275C, GLU253C, GLU264C, GLY249C, GLY278C, HIS277C, ILE225C, ILE246C, ILE254C, LEU172J, LEU176J, LEU271C, LYS110J, LYS223C, LYS247C, LYS250C, LYS279C, MET170J, SER167J, SER276C, TRP273C, TYR274C, VAL108J, VAL173J
• D-E: ALA229E, ALA263E, ASP231E, ASP252D, ASP257D, ASP261D, ASP261E, GLN235E, GLN260D, GLN260E, GLN265D, GLN265E, GLU230E, GLU236E, GLU248D, GLU253D, GLY249D, HIS256D, ILE234E, ILE254D, ILE259D, ILE259E, LYS238E, LYS247D, LYS250D, LYS266E, LYS301E, MET232E, MET255D, MET255E, SER258D, SER258E, THR233E, THR262E
• D-J: ALA116J, ALA229D, ALA263D, ARG113J, ARG114J, ARG117J, ARG227D, ASP111J, ASP123J, ASP127J, ASP231D, ASP257D, ASP261D, CYS168J, GLN118J, GLN169J, GLN260D, GLN265D, GLN268D, GLN275D, GLU130J, GLU230D, GLU264D, GLY109J, ILE126J, ILE225D, ILE228D, LEU270D, LEU271D, LYS110J, LYS120J, LYS223D, LYS266D, MET232D, PRO226D, SER122J, SER167J, THR124J, THR262D, TRP112J, VAL267D
• D-K: ALA174K, ARG114K, ARG166K, ASN107K, ASN171K, ASN245D, ASP111K, ASP175K, ASP257D, CYS168K, CYS272D, GLN118K, GLN169K, GLN178K, GLN265D, GLN268D, GLN275D, GLU179K, GLU248D, GLU253D, GLU264D, GLY249D, GLY278D, HIS277D, ILE225D, ILE246D, ILE254D, LEU172K, LEU176K, LEU271D, LYS110K, LYS223D, LYS247D, LYS250D, LYS279D, MET170K, SER167K, SER276D, TRP273D, TYR274D, VAL108K, VAL173K
• E-H: ARG113H, ARG135H, ARG140H, ASN107H, ASN136H, ASP106H, ASP252E, ASP257E, GLU248E, GLU253E, GLY109H, GLY249E, HIS256E, ILE254E, ILE259E, LEU137H, LEU172H, LYS110H, LYS238E, LYS247E, LYS250E, MET255E, PRO134H, THR138H, TRP112H, VAL108H
• E-K: ALA116K, ALA229E, ALA263E, ARG113K, ARG114K, ARG117K, ARG227E, ASP111K, ASP123K, ASP127K, ASP257E, ASP261E, GLN118K, GLN260E, GLN265E, GLN268E, GLU130K, GLU230E, GLU264E, ILE126K, LEU271E, LYS110K, LYS120K, LYS266E, MET232E, PRO226E, SER258E, THR262E, TRP112K, VAL267E
• E-L: ALA174L, ARG114L, ARG166L, ASN107L, ASN171L, ASN244E, ASN245E, ASP111L, ASP175L, ASP257E, CYS168L, CYS272E, GLN118L, GLN169L, GLN178L, GLN265E, GLN268E, GLN275E, GLU253E, GLU264E, GLY249E, GLY278E, HIS277E, ILE225E, ILE246E, ILE254E, LEU165L, LEU172L, LEU176L, LEU269E, LEU271E, LYS110L, LYS223E, LYS247E, LYS250E, LYS279E, MET170L, SER167L, SER276E, TRP273E, TYR274E, VAL108L, VAL173L
• H-I: ARG113H, ARG113I, ARG132H, ARG135I, ARG140I, ASN107I, ASN136I, ASP106I, ASP111I, ASP123H, ASP127H, ASP131H, CYS105I, GLU130H, GLU139I, GLY109I, ILE104I, ILE126H, ILE129H, LEU137I, LEU172I, LEU176I, LYS110I, LYS125H, MET170I, PRO134H, PRO134I, SER122H, SER128H, THR124H, THR138I, TRP112I, TYR133H, TYR133I, VAL103I, VAL108I, VAL173I
• H-J: ARG132H, ARG135H, ARG135J, ARG140H, ASP131H, GLU130H, PRO134H, PRO134J, TYR133H
• H-K: ARG132K, ARG135H, ARG135K, ARG140K, ASP127K, ASP131K, GLU130K, ILE129K, PRO134H, PRO134K, SER128K, TYR133K
• H-L: ARG113L, ARG114L, ARG117L, ARG132H, ARG135H, ARG140L, ARG142H, ARG146H, ASN102H, ASN136H, ASP106H, ASP111L, ASP123L, ASP127L, CYS105H, CYS98H, GLN118L, GLU130L, GLU139H, GLU143H, GLU95H, ILE126L, LEU137H, LEU137L, LYS110L, LYS120L, PHE101H, PRO134H, PRO134L, SER122L, THR124L, THR138H, TRP112L, TYR133H
• I-J: ARG113I, ARG114I, ARG117I, ARG132J, ARG135I, ARG135J, ARG140I, ARG142J, ARG146J, ASN102J, ASN136J, ASP106J, ASP111I, ASP123I, ASP127I, CYS105J, CYS168I, CYS98J, GLN118I, GLU130I, GLU139J, GLU143J, GLU95J, ILE126I, LEU137I, LEU137J, LYS110I, LYS120I, PHE101J, PRO134I, SER122I, THR124I, THR138J, TRP112I, TYR133J
• I-K: ARG132I, ARG135I, ARG135K, ARG140I, ASP127I, ASP131I, GLU130I, ILE129I, PRO134I, PRO134K, SER128I, TYR133I
• I-L: ARG132L, ARG135I, ASP127L, ASP131L, GLU130L, ILE129L, PRO134I, PRO134L, SER128L, TYR133L
• J-K: ARG113J, ARG113K, ARG132J, ARG135J, ARG135K, ARG140K, ASN107K, ASN136K, ASP106K, ASP111K, ASP123J, ASP127J, ASP131J, CYS105K, GLU130J, GLU139K, GLY109K, ILE104K, ILE126J, ILE129J, LEU137K, LEU172K, LEU176K, LYS110K, LYS125J, MET170K, PRO134J, PRO134K, SER122J, SER128J, THR124J, THR138K, TRP112K, TYR133J, TYR133K, VAL103K, VAL108K, VAL173K
• K-L: ARG113K, ARG113L, ARG132K, ARG135L, ARG140L, ASN107L, ASN136L, ASP106L, ASP111L, ASP123K, ASP127K, ASP131K, CYS105L, GLU130K, GLU139L, GLY109L, ILE104L, ILE126K, ILE129K, LEU137L, LYS110L, LYS125K, PRO134K, PRO134L, SER122K, SER128K, THR124K, THR138L, TRP112L, TYR133K, TYR133L, VAL103L, VAL108L, VAL173L