1KVO

human phospholipase a2 complexed with a highly potent substrate anologue

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 39
  • Norm. En. per Res.: -3.7724
• 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	-45.1409	-1.4768	-89.8793	-136.4971	39	4	0	3589	0	13	13
A-C	-8.8851	-12.4888	-37.7464	-59.1203	48	3	0	2150	2	12	39
A-D	0.0	5.639	-9.5868	-3.9478	23	0	1	674	0	1	11
A-F	-8.4014	2.6668	-19.3128	-25.0473	24	1	1	973	0	1	12
B-C	0.0	1.0481	-6.6854	-5.6372	22	0	1	597	0	0	11
B-E	0.0	8.1472	-21.6014	-13.4542	27	5	1	1260	0	1	10
B-F	-6.3432	-6.9399	-31.9273	-45.2104	43	3	0	1984	2	13	39
C-D	-50.2513	-1.0721	-95.8008	-147.1242	39	7	0	3659	0	14	11
C-E	0.0	9.1326	-8.2649	0.8677	20	0	1	600	0	0	10
D-E	0.0	6.3844	-20.3797	-13.9954	40	2	0	1352	0	12	38
D-F	0.0	2.8358	-5.8996	-3.0638	20	0	1	569	0	0	10
E-F	-45.9264	-1.2502	-86.9279	-134.1045	42	5	1	3499	0	15	11

Interface residues

• A-B: ARG53A, ARG57A, ARG57B, ARG84A, ARG84B, ASP81A, ASP81B, CYS59A, CYS59B, CYS83A, CYS83B, GLU55A, GLU55B, GLY58A, GLY58B, GLY60A, GLY60B, LEU54A, LEU54B, LEU64A, LEU64B, LEU87A, LEU87B, LYS52A, LYS52B, LYS56A, LYS56B, LYS62A, LYS62B, PHE63A, PHE63B, SER65A, SER65B, SER82A, SER82B, SER85A, SER85B, THR61A, THR61B
• A-C: ARG118A, ARG118C, ARG123C, ARG33A, ARG33C, ARG53C, ASN114A, ASN114C, ASP48A, ASP48C, CYS117A, CYS117C, CYS124C, CYS26A, CYS26C, GLU55A, GLU55C, GLY119A, GLY119C, GLY31A, GLY31C, GLY32A, GLY32C, GLY34A, GLY34C, HIS116A, HIS116C, HIS27A, HIS27C, LYS115A, LYS115C, LYS52A, LYS52C, LYS56A, LYS56C, LYS62A, LYS62C, PRO122C, SER120A, SER120C, THR121A, THR121C, THR61A, THR61C, TYR51A, TYR51C, VAL30A, VAL30C
• A-D: ARG7D, ARG84D, ASN1D, ASN4D, GLN110A, GLU16D, HIS116A, HIS6D, LEU11D, LEU19A, LEU64D, LYS107A, LYS108A, LYS10D, LYS115A, LYS67D, PHE23A, PHE63D, SER113A, SER65D, TYR111A, TYR112A, VAL3D
• A-F: ALA18A, ARG7A, ARG84A, ASN106F, ASN1A, ASN4A, GLN110F, GLU16A, HIS116F, HIS6A, LEU19F, LEU64A, LYS107F, LYS108F, LYS10A, PHE63A, SER113F, SER20F, SER65A, TYR105F, TYR109F, TYR111F, TYR112F, VAL3A
• B-C: ALA18B, ARG7B, ARG84B, ASN1B, ASN4B, GLN110C, GLU16B, HIS116C, HIS6B, LEU19C, LEU64B, LYS107C, LYS108C, LYS10B, LYS115C, LYS67B, PHE63B, SER113C, SER65B, TYR111C, TYR112C, VAL3B
• B-E: ARG7E, ARG84E, ASN106B, ASN1E, ASN4E, ASN70E, GLN110B, GLU16E, HIS116B, HIS6E, LEU11E, LEU19B, LEU64E, LYS107B, LYS108B, LYS115B, LYS67E, PHE23B, PHE63E, PHE68E, SER113B, SER65E, TYR105B, TYR109B, TYR111B, TYR112B, VAL3E
• B-F: ARG118B, ARG118F, ARG123F, ARG33B, ARG33F, ASN114B, ASN114F, ASP48B, ASP48F, CYS117B, CYS117F, CYS26B, CYS26F, GLU55B, GLU55F, GLY119B, GLY119F, GLY29B, GLY31B, GLY31F, GLY32B, GLY32F, GLY34B, GLY34F, HIS116B, HIS116F, HIS27B, HIS27F, LYS115B, LYS115F, LYS52B, LYS52F, LYS56B, LYS56F, LYS62F, PRO122F, SER120B, SER120F, THR121B, THR121F, TYR51F, VAL30B, VAL30F
• C-D: ARG53D, ARG57C, ARG57D, ARG84C, ARG84D, ASP81C, ASP81D, CYS59C, CYS59D, CYS83C, CYS83D, GLU55C, GLU55D, GLY58C, GLY58D, GLY60C, GLY60D, LEU54C, LEU54D, LEU64C, LEU64D, LEU87C, LEU87D, LYS52C, LYS52D, LYS56C, LYS56D, LYS62C, LYS62D, PHE63C, PHE63D, SER65C, SER65D, SER82C, SER82D, SER85C, SER85D, THR61C, THR61D
• C-E: ARG7C, ARG84C, ASN1C, ASN4C, GLN110E, GLU16C, HIS116E, HIS6C, LEU11C, LEU19E, LYS107E, LYS108E, LYS10C, LYS67C, PHE63C, SER113E, SER65C, TYR111E, TYR112E, VAL3C
• D-E: ARG118D, ARG118E, ARG33D, ARG33E, ASN114D, ASN114E, ASP48D, ASP48E, CYS117D, CYS117E, GLU55D, GLU55E, GLY119D, GLY119E, GLY31D, GLY31E, GLY32D, GLY32E, GLY34D, GLY34E, HIS116D, HIS116E, HIS27D, HIS27E, LYS115D, LYS115E, LYS52D, LYS52E, LYS56D, LYS56E, LYS62D, LYS62E, PRO122D, SER113D, SER120D, SER120E, THR121D, THR121E, VAL30D, VAL30E
• D-F: ARG7F, ARG84F, ASN1F, ASN4F, GLN110D, GLU16F, HIS116D, HIS6F, LEU11F, LEU19D, LYS107D, LYS108D, LYS10F, LYS67F, PHE68F, SER113D, SER65F, TYR111D, TYR112D, VAL3F
• E-F: ARG53E, ARG53F, ARG57E, ARG57F, ARG84E, ARG84F, ASP81E, ASP81F, CYS59E, CYS59F, CYS83E, CYS83F, GLU55E, GLU55F, GLY58E, GLY58F, GLY60E, GLY60F, LEU54E, LEU54F, LEU64E, LEU64F, LEU87E, LEU87F, LYS52E, LYS52F, LYS56E, LYS56F, LYS62E, LYS62F, LYS67F, PHE63E, PHE63F, SER65E, SER65F, SER82E, SER82F, SER85E, SER85F, THR61E, THR61F, VAL30E