2QYF

crystal structure of the mad2/p31(comet)/mad2-binding peptide ternary complex

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 73
  • Norm. En. per Res.: -6.2881
• 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	-55.6884	-73.7495	-260.856	-390.2939	101	9	4	10393	3	21	14
A-C	-73.0424	70.8108	-132.932	-135.1636	60	6	0	4637	0	20	21
A-D	-14.0878	-31.4555	-24.9952	-70.5385	23	1	0	1257	2	7	2
A-E	-109.4247	-9.3046	-340.3	-459.0292	73	17	5	10257	0	4	1
A-F	0.0	0.0	-0.0117	-0.0117	2	0	0	7	0	0	0
B-C	-11.4123	-37.44	-38.7959	-87.6482	26	1	1	1641	4	5	1
B-D	0.0	0.0	-52.0416	-52.0416	29	2	0	1980	1	1	1
C-D	-37.1866	-69.4463	-238.701	-345.3339	104	9	3	10145	1	23	21
C-E	0.0	0.0	-0.0066	-0.0066	4	0	0	6	0	0	0
C-F	-95.0957	-8.6978	-323.018	-426.8116	73	10	5	10203	0	5	1

Interface residues

• A-B: ALA123A, ALA137A, ALA184B, ALA185B, ALA193B, ALA197B, ALA199B, ALA205B, ARG129A, ARG133A, ARG182A, ARG184A, ARG188B, ARG189B, ARG192B, ARG45A, ARG84B, ASN204A, ASP126A, ASP198B, ASP205A, CYS186B, GLN125A, GLN134A, GLN204B, GLN34A, GLN47A, GLN83B, GLN85B, GLN93B, GLU127A, GLU146A, GLU179A, GLU180A, GLU202B, GLU41A, GLU75B, GLU92B, GLY50A, GLY62B, HIS79B, HIS96B, ILE124A, ILE128A, ILE132A, ILE135A, ILE194B, ILE201A, LEU142A, LEU144A, LEU181B, LEU183A, LEU187B, LEU190B, LEU203B, LEU51A, LEU53A, LEU54A, LEU76B, LEU87B, LEU89B, LEU94B, LYS119A, LYS122A, LYS78B, LYS95B, PHE141A, PHE186A, PHE191B, PHE195B, PHE200B, PHE43A, PHE60B, PRO143A, PRO202A, PRO206B, PRO61B, PRO88B, PRO90B, SER130A, SER180B, SER182B, SER185A, SER195A, SER201B, SER30A, SER40A, THR136A, THR138A, THR140A, THR52A, TRP100A, TYR199A, TYR33A, TYR49A, TYR82B, VAL131A, VAL139A, VAL181A, VAL197A, VAL46A
• A-C: ALA198A, ALA198C, ARG182A, ARG182C, ARG99A, ARG99C, ASN177A, ASN177C, ASN194A, ASN194C, ASP103A, ASP103C, ASP158A, ASP158C, ASP205A, ASP205C, GLN101A, GLN101C, GLN134A, GLN134C, GLN173C, GLN82A, GLN82C, GLU105A, GLU105C, GLU179A, GLU179C, GLU180A, GLU180C, ILE175A, ILE175C, ILE201A, ILE201C, LEU183A, LEU183C, LYS159C, LYS200A, LYS200C, LYS83A, LYS83C, PHE141A, PHE141C, PHE174A, PHE174C, PRO172A, PRO172C, PRO202A, PRO202C, SER178A, SER178C, THR176A, THR176C, TYR156A, TYR156C, TYR199A, TYR199C, VAL181A, VAL181C, VAL197A, VAL197C
• A-D: ALA193D, ALA197D, ARG189D, ARG192D, ASN177A, ASN204A, ASP198D, ASP205A, GLU179A, GLY248D, ILE201A, PHE195D, PHE60D, PRO202A, PRO57D, PRO61D, SER178A, SER246D, THR176A, VAL203A, VAL56D, VAL58D, VAL59D
• A-E: ALA11E, ARG10E, ARG99A, ASN66A, ASN67A, ASP103A, ASP152A, ASP158A, ASP160A, ASP58A, CYS149A, GLN101A, GLN173A, GLN71A, GLN82A, GLN9E, GLU165A, GLU168A, GLU169A, GLU60A, GLY171A, GLY36A, ILE155A, ILE28A, ILE37A, ILE62A, ILE91A, LEU153A, LEU154A, LEU161A, LEU32A, LEU59A, LEU61A, LEU65A, LEU72A, LEU84A, LYS159A, LYS166A, LYS63A, LYS83A, PHE102A, PHE151A, PHE174A, PHE43A, PRO164A, PRO172A, PRO39A, PRO6E, PRO7E, PRO8E, SER148A, SER150A, SER170A, SER1E, SER4E, THR157A, THR42A, TRP167A, TRP2E, TRP75A, TYR156A, TYR38A, TYR3E, TYR5E, TYR64A, VAL162A, VAL163A, VAL68A, VAL69A, VAL81A, VAL85A, VAL86A, VAL87A
• A-F: LYS83A, TRP2F
• B-C: ALA193B, ALA197B, ARG189B, ARG192B, ASN177C, ASN204C, ASP198B, ASP205C, CYS247B, GLU179C, GLY248B, GLY62B, ILE201C, LEU181B, PHE195B, PHE60B, PRO202C, PRO57B, PRO61B, SER178C, SER246B, THR176C, VAL203C, VAL56B, VAL58B, VAL59B
• B-D: ALA173D, ALA185B, ALA185D, ARG189B, ARG189D, ARG192B, ARG192D, ARG249D, ASP178B, CYS186D, CYS247D, GLN179B, GLY248B, GLY248D, GLY62B, GLY62D, LEU181B, PHE60B, PHE60D, PRO61B, PRO61D, PRO63B, PRO63D, SER180B, SER182B, SER182D, SER246D, VAL59D, VAL64B
• C-D: ALA123C, ALA137C, ALA184D, ALA185D, ALA193D, ALA197D, ALA199D, ALA205D, ARG129C, ARG133C, ARG182C, ARG184C, ARG188D, ARG189D, ARG192D, ARG273D, ARG35C, ARG45C, ARG84D, ASN204C, ASP126C, ASP198D, ASP205C, CYS124D, CYS186D, GLN125C, GLN134C, GLN204D, GLN34C, GLN47C, GLN83D, GLN85D, GLN86D, GLN93D, GLU127C, GLU146C, GLU179C, GLU180C, GLU202D, GLU41C, GLU75D, GLU92D, GLY50C, HIS79D, HIS96D, ILE124C, ILE128C, ILE132C, ILE135C, ILE194D, ILE201C, ILE80D, LEU142C, LEU144C, LEU181D, LEU183C, LEU187D, LEU190D, LEU203D, LEU51C, LEU53C, LEU54C, LEU76D, LEU87D, LEU89D, LEU94D, LYS122C, LYS78D, LYS95D, PHE141C, PHE186C, PHE191D, PHE195D, PHE200D, PRO143C, PRO202C, PRO206D, PRO39C, PRO61D, PRO88D, PRO90D, SER120D, SER121D, SER130C, SER182D, SER185C, SER201D, SER30C, SER40C, THR136C, THR138C, THR140C, THR44C, THR52C, TRP100C, TYR199C, TYR33C, TYR49C, TYR82D, VAL131C, VAL139C, VAL181C, VAL197C, VAL46C
• C-E: ASP158C, LYS83C, SER1E, TRP2E
• C-F: ARG10F, ARG99C, ASN66C, ASN67C, ASP103C, ASP152C, ASP158C, ASP160C, ASP58C, CYS149C, GLN101C, GLN173C, GLN71C, GLN82C, GLN9F, GLU165C, GLU168C, GLU169C, GLU60C, GLY171C, GLY36C, ILE155C, ILE28C, ILE37C, ILE62C, ILE91C, LEU153C, LEU154C, LEU161C, LEU32C, LEU59C, LEU61C, LEU65C, LEU72C, LEU84C, LYS159C, LYS166C, LYS63C, LYS83C, PHE102C, PHE151C, PHE174C, PRO164C, PRO172C, PRO39C, PRO6F, PRO7F, PRO8F, SER148C, SER150C, SER170C, SER1F, SER4F, SER80C, THR157C, THR42C, TRP100C, TRP167C, TRP2F, TRP75C, TYR156C, TYR38C, TYR3F, TYR5F, TYR64C, VAL162C, VAL163C, VAL68C, VAL69C, VAL81C, VAL85C, VAL86C, VAL87C