3KOP

crystal structure of protein with a cyclophilin-like fold (yp_831253.1) from arthrobacter sp. fb24 at 1.90 a resolution

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -5.6619
• 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	-77.4436	-95.6067	-376.151	-549.2012	97	18	4	12415	10	25	30
A-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
A-D	-28.1015	-85.4023	-116.514	-230.0179	61	3	1	5100	8	2	2
A-E	-15.8809	0.0	-97.014	-112.8949	45	3	0	3442	0	6	4
A-F	-21.4962	0.0	-86.7713	-108.2675	41	3	0	2999	0	4	4
B-C	-19.0022	0.0	-94.894	-113.8962	46	2	0	3357	0	5	4
B-D	-14.1691	0.0	-100.389	-114.5581	45	2	0	3627	0	6	4
B-E	-45.8285	-84.7396	-117.398	-247.9661	60	6	1	5177	8	4	2
B-F	0.0	0.0	-0.0007	-0.0007	4	0	0	2	0	0	0
C-D	-17.123	0.0	-95.8346	-112.9576	47	2	0	3324	0	7	4
C-E	-69.6329	-70.0564	-392.054	-531.7433	103	22	4	13238	10	26	35
C-F	-40.844	-85.5017	-115.876	-242.2218	66	6	1	5182	8	13	5
D-E	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
D-F	-74.8189	-91.4107	-339.745	-505.9746	96	16	4	11209	10	26	28
E-F	-12.8342	-2.2496	-100.984	-116.0678	55	3	0	3891	0	13	9

Interface residues

• A-B: ALA144A, ALA144B, ALA145A, ALA145B, ALA146A, ALA146B, ALA155A, ALA155B, ALA48A, ALA48B, ARG116A, ARG116B, ARG12A, ARG12B, ARG156A, ARG156B, ARG49A, ARG49B, ASN117A, ASN117B, ASN118A, ASN118B, ASN122A, ASN122B, ASN50A, ASN50B, ASP124A, ASP124B, ASP149A, ASP149B, ASP87A, ASP87B, CYS147A, CYS147B, GLN148A, GLN148B, GLN41A, GLU51A, GLU51B, GLY115A, GLY115B, GLY123A, GLY123B, GLY126A, GLY126B, GLY153A, GLY153B, GLY154A, GLY154B, GLY45A, GLY45B, GLY94A, HIS44A, HIS44B, HIS93A, HIS93B, ILE150A, ILE150B, ILE52B, LEU119A, LEU119B, LEU121A, LEU121B, LEU55A, LEU55B, LEU88A, LEU88B, LYS46A, LYS46B, PHE43A, PHE43B, PRO75A, PRO75B, PRO91A, PRO91B, SER92A, SER92B, THR125A, THR125B, THR72A, THR72B, THR90A, THR90B, TRP127A, TRP127B, TRP151A, TRP151B, TYR114A, TYR114B, TYR47A, TYR47B, TYR53A, TYR53B, TYR95A, VAL128B, VAL42A, VAL42B
• A-C: TRP127A, TRP127C
• A-D: ALA134A, ALA134D, ARG116A, ARG116D, ARG49A, ARG49D, ASN117A, ASN117D, ASN118A, ASN118D, ASN131A, ASN131D, ASN68A, ASN68D, ASP77A, ASP77D, CYS79A, CYS79D, GLY115A, GLY115D, GLY130A, GLY130D, GLY76A, GLY76D, ILE74A, ILE74D, LEU119A, LEU119D, LEU120A, LEU120D, LEU121A, LEU121D, LEU21A, LEU21D, PHE113A, PHE113D, PHE133A, PRO129A, PRO129D, PRO73A, PRO73D, PRO75A, PRO75D, THR135A, THR135D, THR69A, THR69D, THR70A, THR70D, THR72A, THR72D, TRP127A, TRP127D, VAL132A, VAL132D, VAL24A, VAL24D, VAL71A, VAL71D, VAL78A, VAL78D
• A-E: ALA25E, ALA66E, ARG27E, ASN122A, ASN131E, ASN68E, ASN86A, ASP124A, ASP23E, ASP87A, GLU67E, GLY123A, GLY126A, GLY126E, GLY130E, GLY65E, LEU119E, LEU120E, LEU121A, LEU121E, LEU21E, LYS89A, PRO129E, PRO26E, PRO64E, PRO73E, PRO91A, SER85A, SER92A, THR125A, THR125E, THR28E, THR69E, THR70E, THR72E, THR84A, THR90A, TRP127A, TRP127E, VAL104A, VAL128A, VAL128E, VAL132E, VAL24E, VAL71E
• A-F: ALA25A, ALA66A, ARG27A, ASN122F, ASN131A, ASN68A, ASN86F, ASP124F, ASP87F, GLN105F, GLU67A, GLY123F, GLY126A, GLY126F, GLY130A, GLY65A, LEU119A, LEU120A, LEU121A, LEU121F, LYS89F, PRO129A, PRO26A, PRO64A, PRO73A, SER85F, THR125A, THR125F, THR28A, THR69A, THR70A, THR72A, THR84F, TRP127A, TRP127F, VAL104F, VAL128A, VAL128F, VAL132A, VAL24A, VAL71A
• B-C: ALA25B, ALA66B, ARG27B, ASN122C, ASN131B, ASN68B, ASN86C, ASP124C, ASP23B, ASP87C, GLN105C, GLU67B, GLY123C, GLY126B, GLY126C, GLY130B, GLY65B, HIS93C, LEU119B, LEU120B, LEU121B, LEU121C, LEU21B, LYS89C, PRO129B, PRO26B, PRO64B, PRO73B, PRO91C, SER85C, SER92C, THR125B, THR125C, THR28B, THR69B, THR70B, THR72B, THR84C, THR90C, TRP127B, TRP127C, VAL128B, VAL128C, VAL132B, VAL24B, VAL71B
• B-D: ALA25D, ALA66D, ARG27D, ASN122B, ASN131D, ASN68D, ASN86B, ASP124B, ASP23D, ASP87B, GLU67D, GLY123B, GLY126B, GLY126D, GLY130D, GLY65D, LEU119D, LEU120D, LEU121B, LEU121D, LEU21D, LYS89B, PRO129D, PRO26D, PRO64D, PRO73D, PRO91B, SER85B, SER92B, THR125B, THR125D, THR28D, THR69D, THR70D, THR72D, THR84B, THR90B, TRP127B, TRP127D, VAL104B, VAL128B, VAL128D, VAL132D, VAL24D, VAL71D
• B-E: ALA134B, ALA134E, ARG116B, ARG116E, ARG49B, ARG49E, ASN117B, ASN117E, ASN118B, ASN118E, ASN68B, ASN68E, ASP77B, ASP77E, CYS79B, CYS79E, GLY115B, GLY115E, GLY130B, GLY130E, GLY76B, GLY76E, ILE74B, ILE74E, LEU119B, LEU119E, LEU120B, LEU120E, LEU121B, LEU121E, LEU21B, LEU21E, PHE113B, PHE113E, PHE133B, PHE133E, PRO129B, PRO129E, PRO73B, PRO73E, PRO75B, PRO75E, THR135B, THR135E, THR69B, THR69E, THR70B, THR70E, THR72B, THR72E, TRP127B, TRP127E, VAL132B, VAL132E, VAL24B, VAL24E, VAL71B, VAL71E, VAL78B, VAL78E
• B-F: LEU121B, LEU121F, TRP127B, TRP127F
• C-D: ALA25C, ALA66C, ARG27C, ASN122D, ASN131C, ASN68C, ASN86D, ASP124D, ASP23C, ASP87D, GLN105D, GLU67C, GLY123D, GLY126C, GLY126D, GLY130C, GLY65C, HIS93D, LEU-4C, LEU119C, LEU120C, LEU121C, LEU121D, LEU21C, LYS89D, PRO129C, PRO26C, PRO64C, PRO73C, PRO91D, SER85D, SER92D, THR125C, THR125D, THR28C, THR69C, THR70C, THR72C, THR84D, THR90D, TRP127C, TRP127D, VAL128C, VAL128D, VAL132C, VAL24C, VAL71C
• C-E: ALA144C, ALA144E, ALA145C, ALA145E, ALA146C, ALA146E, ALA155C, ALA155E, ALA48C, ALA48E, ARG116C, ARG116E, ARG12C, ARG12E, ARG156C, ARG156E, ARG49C, ARG49E, ASN117C, ASN117E, ASN118C, ASN118E, ASN122C, ASN122E, ASN50C, ASN50E, ASP124C, ASP124E, ASP149C, ASP149E, ASP87C, ASP87E, CYS147C, CYS147E, GLN148C, GLN148E, GLN41C, GLN41E, GLU51C, GLU51E, GLU96C, GLU96E, GLY115C, GLY115E, GLY123C, GLY123E, GLY126C, GLY126E, GLY153C, GLY153E, GLY154C, GLY154E, GLY45C, GLY45E, GLY94C, GLY94E, HIS44C, HIS44E, HIS93C, HIS93E, ILE150C, ILE150E, ILE52C, ILE52E, LEU119C, LEU119E, LEU121C, LEU121E, LEU55C, LEU55E, LEU88C, LEU88E, LYS46C, LYS46E, PHE43C, PHE43E, PRO75C, PRO75E, PRO91C, PRO91E, SER92C, SER92E, THR125C, THR125E, THR72C, THR72E, THR90C, THR90E, TRP127C, TRP127E, TRP151C, TRP151E, TYR114C, TYR114E, TYR47C, TYR47E, TYR53C, TYR53E, TYR95C, TYR95E, VAL128E, VAL42C, VAL42E
• C-F: ALA134C, ALA134F, ALA145C, ARG116C, ARG116F, ARG49C, ARG49F, ASN117C, ASN117F, ASN118C, ASN118F, ASN131C, ASN131F, ASN68C, ASN68F, ASP149C, ASP77C, ASP77F, CYS79C, CYS79F, GLY115C, GLY115F, GLY130C, GLY130F, GLY76C, GLY76F, HIS-12F, HIS-9F, ILE74C, ILE74F, LEU119C, LEU119F, LEU120C, LEU120F, LEU121C, LEU121F, LEU21C, LEU21F, PHE113C, PHE113F, PHE133C, PHE133F, PRO129C, PRO129F, PRO73C, PRO73F, PRO75C, PRO75F, THR135C, THR135F, THR69C, THR69F, THR70C, THR70F, THR72C, THR72F, TRP127C, TRP127F, VAL132C, VAL132F, VAL24C, VAL24F, VAL71C, VAL71F, VAL78C, VAL78F
• D-E: TRP127D, TRP127E
• D-F: ALA144D, ALA144F, ALA145D, ALA145F, ALA146D, ALA146F, ALA155D, ALA155F, ALA48D, ALA48F, ARG116D, ARG116F, ARG12D, ARG12F, ARG156D, ARG156F, ARG49D, ARG49F, ASN117D, ASN117F, ASN118D, ASN118F, ASN122D, ASN122F, ASN50D, ASN50F, ASP124D, ASP124F, ASP149D, ASP149F, ASP157F, ASP87D, ASP87F, CYS147D, CYS147F, GLN148D, GLN148F, GLN41D, GLN41F, GLU51D, GLU51F, GLU96D, GLY115D, GLY115F, GLY123D, GLY123F, GLY126D, GLY126F, GLY153D, GLY153F, GLY154D, GLY154F, GLY45D, GLY45F, GLY94D, HIS44D, HIS44F, HIS93D, ILE150D, ILE150F, ILE52D, ILE52F, LEU119D, LEU119F, LEU121D, LEU121F, LEU55D, LEU55F, LEU88D, LEU88F, LYS46D, LYS46F, PHE43D, PHE43F, PRO75F, PRO91D, SER92D, THR125D, THR125F, THR72D, THR72F, THR90D, TRP127D, TRP127F, TRP151D, TRP151F, TYR114D, TYR114F, TYR47D, TYR47F, TYR53D, TYR53F, TYR95D, VAL128F, VAL42D, VAL42F
• E-F: ALA25F, ALA66F, ARG156E, ARG27F, ASN122E, ASN131F, ASN68F, ASN86E, ASP124E, ASP23F, ASP87E, GLU-6F, GLU67F, GLU96E, GLY123E, GLY126E, GLY126F, GLY130F, GLY65F, HIS-10F, HIS-12F, HIS-9F, ILE-13F, LEU119F, LEU120F, LEU121E, LEU121F, LEU21F, LYS89E, PHE-2F, PRO129F, PRO26F, PRO64F, PRO73F, PRO91E, SER-16F, SER85E, SER92E, THR125E, THR125F, THR28F, THR69F, THR70F, THR72F, THR84E, THR90E, TRP127E, TRP127F, TYR95E, VAL104E, VAL128E, VAL128F, VAL132F, VAL24F, VAL71F