3M0W

structure of s100a4 with pcp

• Total interactions analyzed: 45
• Total true interactions: 25
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 105
  • Norm. En. per Res.: -4.0065
• 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	-60.6194	-4.6531	-300.302	-365.5746	112	17	15	14713	0	22	21
A-C	0.0	0.0	-13.3499	-13.3499	23	0	0	726	0	1	1
A-D	0.0	0.0	-3.5621	-3.5621	19	0	0	340	0	8	9
A-I	0.0	0.0	-0.0015	-0.0015	2	0	0	4	0	8	5
A-J	0.0	0.0	-0.0962	-0.0962	7	0	0	28	0	1	0
B-C	0.0	0.0	-0.1487	-0.1487	10	0	0	35	0	1	0
B-D	0.0	0.0	-0.3814	-0.3814	2	0	0	50	0	8	4
B-I	0.0	0.0	-0.1025	-0.1025	7	0	0	22	0	1	1
B-J	0.0	0.0	-16.0739	-16.0739	24	0	0	756	0	0	1
C-D	-55.4233	-6.9767	-358.278	-420.6781	105	24	16	14481	0	20	18
C-E	0.0	0.0	-1.0096	-1.0096	15	0	0	167	0	8	9
C-F	0.0	0.0	-0.0068	-0.0068	2	0	0	6	0	8	4
D-E	0.0	0.0	-12.2223	-12.2223	23	0	0	631	0	1	1
D-F	0.0	0.0	-0.0775	-0.0775	5	0	0	17	0	1	0
E-F	-64.7569	-4.8698	-319.291	-388.9177	105	19	15	14396	0	23	19
E-G	0.0	0.0	-0.0695	-0.0695	7	0	0	18	0	0	0
E-H	0.0	0.0	-0.0678	-0.0678	8	0	0	37	0	8	4
F-G	0.0	0.0	-13.1726	-13.1726	21	0	0	602	0	0	1
F-H	0.0	0.0	-0.1082	-0.1082	7	0	0	25	0	1	1
G-H	-68.0205	-9.0562	-309.356	-386.4327	111	22	15	14794	0	23	22
G-I	-27.679	11.9512	-14.3327	-30.0605	23	4	0	1080	0	8	10
G-J	0.0	0.0	-0.0023	-0.0023	4	0	0	6	0	6	5
H-I	0.0	0.0	-16.8666	-16.8666	28	0	0	844	0	3	1
H-J	-6.6965	9.3003	-8.0602	-5.4564	19	2	0	769	0	8	9
I-J	-63.9382	-4.7315	-267.95	-336.6197	113	17	15	15029	0	23	22

Interface residues

• A-B: ALA2A, ALA2B, ALA83A, ALA83B, ALA8A, ALA8B, ARG40A, ARG40B, ASN87A, ASN87B, ASP10A, ASP10B, ASP25A, ASP25B, ASP71A, ASP71B, CYS3A, CYS3B, CYS76A, CYS76B, CYS81A, CYS81B, CYS86A, CYS86B, GLN73A, GLN73B, GLU41A, GLU41B, GLU6A, GLU6B, GLU74A, GLU74B, GLU88A, GLU88B, GLU91A, GLU91B, GLY47A, GLY92B, HIS17A, HIS17B, ILE82A, ILE82B, LEU37A, LEU37B, LEU38A, LEU38B, LEU42A, LEU42B, LEU46A, LEU46B, LEU5A, LEU5B, LEU79A, LEU79B, LEU9A, LEU9B, LYS18A, LYS18B, LYS26A, LYS26B, LYS28A, LYS28B, LYS7A, LYS7B, MET12A, MET12B, MET84A, MET84B, MET85A, MET85B, PHE16A, PHE16B, PHE27A, PHE27B, PHE45A, PHE45B, PHE72A, PHE72B, PHE78A, PHE78B, PHE89A, PHE89B, PHE90A, PHE90B, PHE93B, PRO43A, PRO43B, PRO4A, PRO4B, PRO94B, SER14A, SER14B, SER20A, SER20B, SER44A, SER44B, SER80A, SER80B, THR15A, THR15B, THR39A, THR39B, TYR19A, TYR19B, TYR75A, TYR75B, VAL11A, VAL11B, VAL13A, VAL13B, VAL77A, VAL77B
• A-C: CYS86A, CYS86C, GLU91A, GLY47A, GLY47C, GLY92C, ILE82A, ILE82C, LEU46A, LEU46C, MET85A, MET85C, PHE45A, PHE45C, PHE89A, PHE89C, PHE90A, PHE90C, PHE93C, PRO43A, PRO43C, SER44A, SER44C
• A-D: ARG49A, ASP10D, ASP25D, GLU23D, GLU6D, GLY21D, GLY24D, GLY47A, HIS17D, LYS18D, LYS22D, LYS26D, LYS48A, PHE27D, PHE89A, SER14D, SER20D, SER44A, THR50A
• A-I: LYS7A, LYS7I
• A-J: GLU6A, LYS26A, PHE89J, PHE90J, SER14A, SER44J, THR50J
• B-C: GLU6B, GLY21B, GLY47C, HIS17B, LYS26B, PHE27B, PHE89C, PHE90C, SER14B, SER44C
• B-D: LYS7B, LYS7D
• B-I: GLU6I, LYS26I, PHE89B, PHE90B, SER14I, SER44B, THR50B
• B-J: CYS86B, CYS86J, GLU88J, GLY92B, ILE82B, ILE82J, LEU42B, LEU42J, LEU46B, LEU46J, MET85B, MET85J, PHE45B, PHE45J, PHE89B, PHE89J, PHE90B, PHE90J, PHE93B, PHE93J, PRO43B, PRO43J, SER44B, SER44J
• C-D: ALA83C, ALA83D, ALA8C, ALA8D, ARG40C, ARG40D, ASN87C, ASN87D, ASP10C, ASP10D, ASP71C, ASP71D, CYS3C, CYS3D, CYS76C, CYS76D, CYS81C, CYS81D, CYS86C, CYS86D, GLN73C, GLN73D, GLU41C, GLU41D, GLU6C, GLU6D, GLU74C, GLU74D, GLU88C, GLU88D, GLU91C, GLU91D, GLY47C, GLY92C, GLY92D, HIS17C, HIS17D, ILE82C, ILE82D, LEU37C, LEU37D, LEU38C, LEU38D, LEU42C, LEU42D, LEU46C, LEU46D, LEU5C, LEU5D, LEU79C, LEU79D, LEU9C, LEU9D, LYS18C, LYS18D, LYS26C, LYS26D, LYS7C, LYS7D, MET12C, MET12D, MET84C, MET84D, MET85C, MET85D, PHE16C, PHE16D, PHE27C, PHE27D, PHE45C, PHE45D, PHE72C, PHE72D, PHE78C, PHE78D, PHE89C, PHE89D, PHE90C, PHE90D, PRO43C, PRO43D, PRO4C, PRO4D, SER14C, SER14D, SER20C, SER20D, SER44C, SER44D, SER80C, SER80D, THR15C, THR15D, THR39C, THR39D, TYR19C, TYR19D, TYR75C, TYR75D, VAL11C, VAL11D, VAL13C, VAL13D, VAL77C, VAL77D
• C-E: ARG49E, GLU23C, GLU6C, GLY21C, GLY24C, GLY47E, HIS17C, LYS18C, LYS22C, LYS26C, LYS48E, PHE27C, PHE89E, SER14C, SER44E
• C-F: ALA2F, LYS7C
• D-E: CYS86D, CYS86E, GLY47E, GLY92D, ILE82D, ILE82E, LEU42D, LEU42E, LEU46D, LEU46E, LYS48E, MET85D, MET85E, PHE45D, PHE45E, PHE89D, PHE89E, PHE90D, PHE90E, PRO43D, PRO43E, SER44D, SER44E
• D-F: ASP10F, GLU6F, PHE89D, SER14F, SER44D
• E-F: ALA2E, ALA2F, ALA83E, ALA83F, ALA8E, ALA8F, ARG40E, ARG40F, ASN87E, ASN87F, ASP10E, ASP10F, ASP71E, ASP71F, CYS3E, CYS3F, CYS76E, CYS76F, CYS81E, CYS81F, CYS86E, CYS86F, GLN73E, GLN73F, GLU41E, GLU41F, GLU6E, GLU6F, GLU74E, GLU74F, GLU88E, GLU88F, GLU91E, GLU91F, GLY47E, HIS17E, HIS17F, ILE82E, ILE82F, LEU37E, LEU37F, LEU38E, LEU38F, LEU42E, LEU42F, LEU46E, LEU46F, LEU5E, LEU5F, LEU79E, LEU79F, LEU9E, LEU9F, LYS18E, LYS18F, LYS26E, LYS26F, LYS7E, LYS7F, MET12E, MET12F, MET84E, MET84F, MET85E, MET85F, PHE16E, PHE16F, PHE27E, PHE27F, PHE45E, PHE45F, PHE72E, PHE72F, PHE78E, PHE78F, PHE89E, PHE89F, PHE90E, PHE90F, PRO43E, PRO43F, PRO4E, PRO4F, SER14E, SER14F, SER20E, SER20F, SER44E, SER44F, SER80E, SER80F, THR15E, THR15F, THR39E, THR39F, TYR19E, TYR19F, TYR75E, TYR75F, VAL11E, VAL11F, VAL13E, VAL13F, VAL77E, VAL77F
• E-G: GLU6E, GLY47G, PHE27E, PHE89G, PHE90G, SER14E, SER44G
• E-H: ALA2E, ALA2H, ASP10E, GLU6E, LYS18H, LYS7E, LYS7H, SER14H
• F-G: CYS86F, CYS86G, GLU91F, GLY47G, ILE82F, ILE82G, LEU42G, LEU46F, LEU46G, MET85F, MET85G, PHE45F, PHE45G, PHE89F, PHE89G, PHE90F, PHE90G, PRO43F, PRO43G, SER44F, SER44G
• F-H: ASP10H, ASP51F, GLU6H, LYS26H, PHE89F, SER14H, SER44F
• G-H: ALA2G, ALA2H, ALA83G, ALA83H, ALA8G, ALA8H, ARG40G, ARG40H, ASN87G, ASN87H, ASP10G, ASP10H, ASP25G, ASP71G, ASP71H, CYS3G, CYS3H, CYS76G, CYS76H, CYS81G, CYS81H, CYS86G, CYS86H, GLN73G, GLN73H, GLU41G, GLU41H, GLU6G, GLU6H, GLU74G, GLU74H, GLU88G, GLU88H, GLU91G, GLU91H, GLY47H, GLY92H, HIS17G, HIS17H, ILE82G, ILE82H, LEU37G, LEU37H, LEU38G, LEU38H, LEU42G, LEU42H, LEU46G, LEU46H, LEU5G, LEU5H, LEU79G, LEU79H, LEU9G, LEU9H, LYS18G, LYS18H, LYS26G, LYS26H, LYS28G, LYS28H, LYS7G, LYS7H, MET12G, MET12H, MET84G, MET84H, MET85G, MET85H, PHE16G, PHE16H, PHE27G, PHE27H, PHE45G, PHE45H, PHE72G, PHE72H, PHE78G, PHE78H, PHE89G, PHE89H, PHE90G, PHE90H, PHE93H, PRO43G, PRO43H, PRO4G, PRO4H, PRO94H, SER14G, SER14H, SER20G, SER20H, SER44G, SER44H, SER80G, SER80H, THR15G, THR15H, THR39G, THR39H, TYR19G, TYR19H, TYR75G, TYR75H, VAL11G, VAL11H, VAL13G, VAL13H, VAL77G, VAL77H
• G-I: ARG49I, ASP10G, ASP25G, ASP51I, GLU23G, GLU33G, GLU6G, GLY21G, GLY24G, GLY47I, HIS17G, LYS18G, LYS22G, LYS26G, LYS48I, PHE16G, PHE27G, PHE89I, SER14G, SER20G, SER44I, THR50I, TYR19G
• G-J: ALA2G, ALA2J, LYS7G, LYS7J
• H-I: CYS86H, CYS86I, GLY47H, GLY47I, GLY92H, GLY92I, ILE82H, ILE82I, LEU42H, LEU42I, LEU46H, LEU46I, LYS48H, LYS48I, MET85H, MET85I, PHE45H, PHE45I, PHE89H, PHE89I, PHE90H, PHE90I, PHE93H, PHE93I, PRO43H, PRO43I, SER44H, SER44I
• H-J: ARG49H, GLU23J, GLU33J, GLU6J, GLY21J, GLY24J, GLY47H, HIS17J, LYS18J, LYS22J, LYS26J, LYS48H, PHE27J, PHE89H, SER14J, SER20J, SER44H, THR50H, TYR19J
• I-J: ALA2I, ALA2J, ALA83I, ALA83J, ALA8I, ALA8J, ARG40I, ARG40J, ASN87I, ASN87J, ASP10I, ASP10J, ASP25I, ASP71I, ASP71J, CYS3I, CYS3J, CYS76I, CYS76J, CYS81I, CYS81J, CYS86I, CYS86J, GLN73I, GLN73J, GLU41I, GLU41J, GLU6I, GLU6J, GLU74I, GLU74J, GLU88I, GLU88J, GLU91I, GLU91J, GLY47I, GLY92I, GLY92J, HIS17I, HIS17J, ILE82I, ILE82J, LEU37I, LEU37J, LEU38I, LEU38J, LEU42I, LEU42J, LEU46I, LEU46J, LEU5I, LEU5J, LEU79I, LEU79J, LEU9I, LEU9J, LYS18I, LYS18J, LYS26I, LYS26J, LYS28I, LYS28J, LYS7I, LYS7J, MET12I, MET12J, MET84I, MET84J, MET85I, MET85J, PHE16I, PHE16J, PHE27I, PHE27J, PHE45I, PHE45J, PHE72I, PHE72J, PHE78I, PHE78J, PHE89I, PHE89J, PHE90I, PHE90J, PHE93I, PHE93J, PRO43I, PRO43J, PRO4I, PRO4J, PRO94I, SER14I, SER14J, SER20I, SER20J, SER44I, SER44J, SER80I, SER80J, THR15I, THR15J, THR39I, THR39J, TYR19I, TYR19J, TYR75I, TYR75J, VAL11I, VAL11J, VAL13I, VAL13J, VAL77I, VAL77J