3P70

structural basis of thrombin-mediated factor v activation: essential role of the hirudin-like sequence glu666-glu672 for processing at the heavy chain-b domain junction

• Total interactions analyzed: 66
• Total true interactions: 17
• Strongest Interaction:
  • Chains: B-M
  • Int. Res.: 26
  • Norm. En. per Res.: -3.8218
• Hub Node: B(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	-88.4793	-113.1661	296.001	94.3555	87	17	2	12658	8	40	29
B-D	0.0	23.156	-13.4113	9.7447	24	0	0	873	0	8	8
B-F	-13.0302	-22.2117	-48.7273	-83.9693	29	3	0	1709	6	13	12
B-H	-20.6447	-37.6896	-90.4824	-148.8166	50	5	0	3534	2	16	13
B-M	-10.2984	-9.7815	-79.2861	-99.366	26	2	0	2843	0	11	5
B-O	0.0	3.6666	-36.8956	-33.229	22	3	0	1072	0	2	4
C-D	-74.0827	-120.0647	305.89	111.7426	88	17	2	12691	6	39	29
D-F	-15.8677	-57.1566	-87.7881	-160.8124	49	5	0	3485	3	15	10
D-N	-5.2176	-9.9286	-77.7745	-92.9207	26	4	0	2771	0	6	3
E-F	-107.139	-129.6998	395.031	158.1921	86	22	2	12506	7	40	30
F-H	0.0	13.3753	-14.2561	-0.8808	22	0	0	723	0	11	8
F-N	0.0	3.3283	-55.8588	-52.5305	25	0	0	1707	0	2	4
F-O	0.0	-25.3815	-70.8801	-96.2616	28	1	0	2665	2	6	3
G-H	-85.9169	-125.7719	315.183	103.4942	87	24	2	12758	8	41	30
H-M	0.0	13.0135	-65.2523	-52.2388	35	3	0	2124	0	6	8
H-P	-8.7689	-12.0729	-68.0097	-88.8515	29	9	0	2867	0	10	4
M-P	0.0	0.0	-0.0007	-0.0007	3	0	0	2	0	0	1

Interface residues

• A-B: ALA334A, ALA370B, ALA495B, ARG339A, ARG353A, ARG500B, ARG581B, ASN527B, ASN579B, ASN580B, ASP335A, ASP349A, ASP361A, ASP369B, ASP398B, ASP476B, CYS336A, CYS482B, GLN494B, GLN584B, GLU343A, GLU348A, GLU352A, GLU354A, GLU357A, GLU371B, GLY337A, GLY362A, GLY373B, GLY496B, GLY499B, HIS479B, ILE360A, ILE372B, ILE396B, ILE478B, ILE530B, LEU338A, LEU341A, LEU347A, LEU355A, LEU356A, LEU395B, LEU483B, LEU492B, LEU493B, LEU528B, LYS344A, LYS345A, LYS350A, LYS498B, LYS559B, LYS575B, MET374B, MET574B, MET585B, PHE342A, PHE474B, PHE572B, PHE578B, PRO340A, PRO376B, PRO480B, PRO529B, PRO577B, SER346A, SER358A, SER368B, SER375B, SER397B, SER475B, SER491B, SER576B, THR351A, THR502B, TRP377B, TRP582B, TYR359A, TYR477B, TYR497B, TYR553B, TYR583B, VAL481B, VAL501B, VAL525B, VAL526B, VAL573B
• B-D: ALA473D, ARG436D, ARG541B, ARG596B, ASN437D, ASP476D, ASP538B, GLU435D, GLU439D, GLU592B, ILE426D, ILE438D, ILE441D, ILE478D, LYS440D, LYS537B, LYS599B, PHE474D, SER475D, SER539B, THR540B, TYR434D, TYR477D, VAL472D
• B-F: ARG383B, ARG383F, ARG433F, ARG436F, ARG596B, ASP414B, CYS594B, GLN387B, GLN387F, GLU388B, GLU509B, GLU565B, GLU592B, GLY593B, LEU390B, LYS384F, LYS415B, LYS599B, PHE417B, PRO386B, PRO386F, PRO411B, PRO412B, SER385B, SER385F, THR432F, TRP413B, TYR410B, TYR434F
• B-H: ALA513H, ARG383B, ARG383H, ARG425B, ARG433B, ARG436B, ARG596H, ASN420B, ASN437B, ASP414H, ASP421B, CYS594H, GLN387B, GLU388B, GLU388H, GLU435B, GLU439B, GLU509H, GLU565H, GLU592H, GLY593H, ILE441B, LEU422B, LEU423B, LYS384B, LYS415H, LYS428B, LYS440B, LYS469B, LYS517H, LYS599H, MET443B, PHE382B, PHE417H, PRO386B, PRO386H, PRO411H, PRO412H, SER385B, SER385H, SER430B, SER442B, THR432B, THR510H, THR512H, TRP413H, TRP511H, TYR410H, TYR434B, VAL424B
• B-M: ARG425B, ARG431B, ARG433B, ARG436B, GLN387B, GLN519B, GLU388B, GLU435B, GLU439B, GLU669M, GLU672M, ILE441B, ILE667M, LEU389B, LEU390B, LEU423B, LYS428B, MET380B, PHE382B, PHE668M, PRO670M, PRO671M, SER430B, THR432B, TRP504B, TYR434B
• B-O: ARG456B, ASN458B, ASN506B, ASP414B, GLU457B, GLU509B, GLU565B, GLU669O, GLY566B, HIS406B, ILE542B, ILE667O, LEU459B, LYS415B, PHE668O, PRO412B, PRO670O, PRO671O, SER568B, TRP413B, TRP455B, TYR410B
• C-D: ALA334C, ALA370D, ALA495D, ARG339C, ARG353C, ARG500D, ARG581D, ASN527D, ASN579D, ASN580D, ASP335C, ASP349C, ASP361C, ASP369D, ASP398D, ASP476D, CYS336C, CYS482D, GLN494D, GLN584D, GLU343C, GLU348C, GLU352C, GLU354C, GLU357C, GLU371D, GLY337C, GLY362C, GLY373D, GLY496D, GLY499D, HIS479D, ILE360C, ILE372D, ILE396D, ILE438D, ILE478D, ILE530D, LEU338C, LEU341C, LEU347C, LEU355C, LEU356C, LEU395D, LEU483D, LEU492D, LEU493D, LEU528D, LYS344C, LYS345C, LYS350C, LYS498D, LYS559D, LYS575D, MET374D, MET574D, MET585D, PHE342C, PHE474D, PHE572D, PHE578D, PRO340C, PRO376D, PRO480D, PRO529D, PRO577D, SER346C, SER358C, SER368D, SER375D, SER397D, SER475D, SER491D, SER576D, THR351C, THR502D, TRP377D, TRP582D, TYR359C, TYR477D, TYR497D, TYR553D, TYR583D, VAL481D, VAL501D, VAL525D, VAL526D, VAL573D
• D-F: ARG383D, ARG383F, ARG425D, ARG433D, ARG436D, ARG596F, ASN420D, ASN437D, ASP414F, CYS594F, GLN387D, GLN387F, GLU388D, GLU388F, GLU435D, GLU439D, GLU509F, GLU565F, GLU592F, GLY591F, GLY593F, ILE441D, LEU389F, LEU390F, LEU422D, LEU423D, LYS384D, LYS415F, LYS428D, LYS440D, LYS508F, LYS599F, MET443D, PHE382D, PHE417F, PRO386D, PRO386F, PRO411F, PRO412F, SER385D, SER442D, THR432D, THR510F, THR512F, TRP413F, TRP511F, TYR410F, TYR434D, VAL424D
• D-N: ARG425D, ARG431D, ARG433D, ARG436D, GLN387D, GLN519D, GLU388D, GLU435D, GLU439D, GLU669N, ILE441D, ILE667N, LEU389D, LEU390D, LEU423D, LYS428D, MET380D, PHE382D, PHE668N, PRO386D, PRO670N, PRO671N, SER430D, THR432D, TRP504D, TYR434D
• E-F: ALA334E, ALA370F, ALA495F, ARG339E, ARG353E, ARG500F, ARG581F, ASN527F, ASN579F, ASN580F, ASP335E, ASP349E, ASP361E, ASP369F, ASP398F, ASP476F, CYS336E, CYS482F, GLN494F, GLN584F, GLU343E, GLU348E, GLU352E, GLU354E, GLU357E, GLU371F, GLY337E, GLY362E, GLY373F, GLY496F, GLY499F, HIS479F, ILE360E, ILE372F, ILE396F, ILE478F, ILE530F, LEU338E, LEU341E, LEU347E, LEU355E, LEU356E, LEU395F, LEU483F, LEU492F, LEU493F, LEU528F, LYS344E, LYS345E, LYS350E, LYS498F, LYS559F, LYS575F, MET374F, MET574F, MET585F, PHE342E, PHE474F, PHE572F, PHE578F, PRO340E, PRO376F, PRO480F, PRO529F, PRO577F, SER346E, SER358E, SER368F, SER375F, SER397F, SER475F, SER491F, SER576F, THR351E, TRP377F, TRP582F, TYR359E, TYR477F, TYR497F, TYR553F, TYR583F, VAL481F, VAL501F, VAL525F, VAL526F, VAL573F
• F-H: ALA473F, ARG436F, ARG541H, ARG543H, ARG596H, ASP476F, ASP538H, GLU435F, GLU439F, GLY427F, ILE426F, ILE438F, ILE441F, ILE478F, LYS440F, LYS537H, PHE474F, SER475F, THR540H, TYR434F, TYR477F, VAL472F
• F-N: ASN458F, ASN506F, ASP414F, GLN519F, GLU388F, GLU457F, GLU565F, GLU592F, GLU669N, GLY566F, GLY591F, GLY593F, ILE542F, ILE667N, LYS415F, PHE668N, PRO412F, PRO670N, PRO671N, THR510F, THR512F, TRP413F, TRP511F, TRP590F, TYR410F
• F-O: ARG425F, ARG431F, ARG433F, ARG436F, GLN387F, GLN519F, GLU388F, GLU435F, GLU439F, GLU669O, ILE441F, ILE667O, LEU389F, LEU390F, LEU423F, LYS384F, LYS428F, MET380F, MET443F, PHE382F, PHE668O, PRO386F, PRO670O, PRO671O, SER430F, THR432F, TRP504F, TYR434F
• G-H: ALA334G, ALA370H, ALA495H, ARG339G, ARG353G, ARG500H, ARG581H, ASN527H, ASN579H, ASN580H, ASP335G, ASP349G, ASP361G, ASP369H, ASP476H, CYS336G, CYS482H, GLN494H, GLN584H, GLU343G, GLU348G, GLU352G, GLU354G, GLU357G, GLU371H, GLY337G, GLY367H, GLY373H, GLY496H, GLY499H, HIS479H, ILE360G, ILE372H, ILE396H, ILE438H, ILE478H, ILE530H, LEU338G, LEU341G, LEU347G, LEU355G, LEU356G, LEU395H, LEU483H, LEU492H, LEU493H, LEU528H, LYS344G, LYS345G, LYS350G, LYS498H, LYS559H, LYS575H, MET374H, MET574H, MET585H, PHE342G, PHE474H, PHE572H, PHE578H, PRO340G, PRO376H, PRO480H, PRO529H, PRO577H, SER346G, SER358G, SER368H, SER375H, SER397H, SER475H, SER491H, SER576H, THR351G, THR502H, TRP377H, TRP582H, TYR359G, TYR477H, TYR497H, TYR553H, TYR583H, VAL481H, VAL501H, VAL525H, VAL526H, VAL573H
• H-M: ALA513H, ARG431H, ARG456H, ASN458H, ASN506H, ASP414H, GLN519H, GLU388H, GLU457H, GLU509H, GLU565H, GLU592H, GLU669M, GLU672M, GLY505H, GLY518H, GLY566H, ILE542H, ILE667M, LEU389H, LEU459H, LEU507H, LYS415H, LYS508H, PHE668M, PRO412H, PRO670M, PRO671M, SER568H, THR510H, THR512H, TRP413H, TRP455H, TRP511H, TYR410H
• H-P: ARG383H, ARG425H, ARG431H, ARG433H, ARG436H, GLN387H, GLN519H, GLU388H, GLU435H, GLU439H, GLU666P, GLU669P, ILE441H, ILE667P, LEU389H, LEU390H, LEU423H, LYS428H, LYS517H, MET380H, PHE382H, PHE668P, PRO520H, PRO670P, SER430H, SER521H, THR432H, TRP504H, TYR434H
• M-P: GLU666P, GLU672M, PHE668P