2ANE

crystal structure of n-terminal domain of e.coli lon protease

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 83
  • Norm. En. per Res.: -4.9397
• Hub Node: A(3)

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	-112.7804	56.3721	-262.565	-318.9733	88	20	9	10592	1	42	38
A-C	0.0	0.0	-33.2866	-33.2866	30	3	4	2294	0	2	3
A-D	0.0	0.3695	-44.7296	-44.3601	17	0	0	1287	0	2	3
B-C	0.0	0.3163	-51.0562	-50.7399	18	0	0	1371	0	3	4
B-D	-7.4259	0.0	-37.3773	-44.8032	31	4	2	2390	2	2	3
C-D	-131.8403	6.7078	-284.86	-409.9925	83	22	9	10357	5	41	36
C-G	0.0	-8.4377	-8.553	-16.9907	13	1	0	279	0	8	8
D-G	-11.7683	-28.4446	-68.544	-108.7569	37	4	0	2706	2	13	8
E-F	-102.4879	8.6181	-227.175	-321.0448	84	22	9	9284	6	40	38
E-G	0.0	0.3173	-44.776	-44.4587	18	0	0	1303	0	3	4
E-H	0.0	0.0	-42.2567	-42.2567	28	2	3	2426	1	2	3
F-G	0.0	0.0	-38.1277	-38.1277	29	4	5	2612	1	2	3
F-H	0.0	3.9756	-44.9307	-40.9551	16	0	0	1294	0	2	4
G-H	-120.8935	20.1363	-246.57	-347.3272	85	14	10	9532	2	40	35

Interface residues

• A-B: ALA54A, ALA54B, ALA58A, ALA58B, ARG17A, ARG17B, ARG33A, ARG33B, ARG38A, ASP18A, ASP18B, ASP61A, ASP61B, ASP85A, ASP85B, GLN55A, GLN55B, GLU34A, GLU34B, GLU57A, GLU57B, GLU62A, GLU62B, GLY32A, GLY32B, GLY86A, GLY86B, ILE27A, ILE27B, ILE37A, ILE37B, LEU14A, LEU14B, LEU16A, LEU16B, LEU29A, LEU29B, LEU52B, LEU68A, LEU68B, LEU83A, LEU83B, LYS35A, LYS35B, LYS56A, LYS56B, LYS89A, LYS89B, MET25A, MET25B, PHE110A, PHE110B, PHE30A, PHE30B, PHE69A, PHE69B, PRO15A, PRO15B, PRO28A, PRO28B, PRO63A, PRO63B, PRO84B, SER36A, SER36B, SER59A, SER59B, THR60A, THR60B, THR87A, THR87B, TYR22A, TYR22B, VAL19A, VAL19B, VAL20A, VAL20B, VAL21A, VAL21B, VAL31A, VAL31B, VAL53A, VAL53B, VAL88A, VAL88B, VAL90A, VAL90B, VAL92B
• A-C: GLN79A, GLN79C, GLU93A, GLU93C, GLY94C, HIS24A, HIS24C, ILE27A, ILE27C, ILE77A, ILE77C, LEU29A, LEU78A, LEU78C, LEU91A, LEU91C, LEU95C, LYS48A, LYS89A, LYS89C, MET25A, MET25C, PRO28A, PRO28C, SER76A, SER76C, VAL26A, VAL26C, VAL92A, VAL92C
• A-D: ARG97A, ARG97D, GLU93D, HIS24A, HIS24D, MET25A, MET25D, PRO23A, PRO23D, TYR22A, TYR22D, VAL20A, VAL20D, VAL21A, VAL21D, VAL26A, VAL26D
• B-C: ARG97B, ARG97C, GLU93B, GLY94B, HIS24B, HIS24C, MET25B, MET25C, PRO23B, PRO23C, TYR22B, TYR22C, VAL20B, VAL20C, VAL21B, VAL21C, VAL26B, VAL26C
• B-D: GLN79B, GLN79D, GLU93B, GLU93D, GLY94B, HIS24B, HIS24D, ILE27B, ILE27D, ILE77B, ILE77D, LEU78B, LEU78D, LEU81D, LEU91B, LEU91D, LEU95B, LYS48D, LYS89B, LYS89D, MET25B, MET25D, PHE30B, PHE30D, PRO28B, PRO28D, SER76B, VAL26B, VAL26D, VAL92B, VAL92D
• C-D: ALA54C, ALA54D, ALA58C, ALA58D, ARG17C, ARG17D, ARG33C, ARG33D, ARG38C, ARG97D, ASP18C, ASP18D, ASP61C, ASP61D, ASP67D, ASP85C, ASP85D, GLN55C, GLN55D, GLU34C, GLU34D, GLU57C, GLU57D, GLU62C, GLU62D, GLY32C, GLY32D, ILE27C, ILE27D, ILE37C, ILE37D, LEU14C, LEU14D, LEU16C, LEU16D, LEU29C, LEU29D, LEU52D, LEU68C, LEU83C, LEU83D, LYS35C, LYS56C, LYS56D, LYS89C, LYS89D, MET25C, MET25D, PHE110C, PHE30C, PHE30D, PHE69C, PHE69D, PRO15C, PRO15D, PRO28C, PRO28D, PRO63C, PRO63D, SER36C, SER36D, SER59C, SER59D, THR60C, THR60D, THR87C, THR87D, TYR22C, TYR22D, VAL19C, VAL19D, VAL20C, VAL20D, VAL21C, VAL21D, VAL31C, VAL31D, VAL53C, VAL53D, VAL88C, VAL88D, VAL90C, VAL90D
• C-G: ALA102G, ARG33C, ARG8G, ARG99G, ASP85C, GLU115G, GLU34C, GLY86C, LEU83C, LYS113G, PRO84C, SER101G, THR87C
• D-G: ALA102G, ALA112G, ALA58D, ALA98G, ARG8G, ARG97G, ARG99G, ASN66D, ASN66G, ASP61D, ASP67D, GLN55D, GLU115G, GLU57D, GLU62D, GLY64D, GLY72G, ILE100G, LEU103G, LEU117G, LEU68D, LEU68G, LYS113G, LYS56D, LYS56G, PHE69D, PHE69G, PRO63D, SER101G, SER104G, SER59D, THR60D, THR70G, TYR116G, VAL65D, VAL65G, VAL71G
• E-F: ALA54E, ALA54F, ALA58E, ALA58F, ARG17E, ARG17F, ARG33E, ARG33F, ARG38E, ASP18E, ASP18F, ASP61E, ASP61F, ASP85E, ASP85F, GLN55E, GLN55F, GLU34E, GLU34F, GLU57E, GLU57F, GLU62E, GLU62F, GLY32E, GLY32F, GLY86F, ILE27E, ILE27F, ILE37E, ILE37F, LEU14E, LEU14F, LEU16E, LEU16F, LEU29E, LEU29F, LEU52E, LEU52F, LEU68E, LEU83E, LEU83F, LYS35E, LYS56E, LYS56F, LYS89E, LYS89F, MET25E, MET25F, PHE110E, PHE30E, PHE30F, PHE69E, PHE69F, PRO15E, PRO15F, PRO28E, PRO28F, PRO63E, PRO63F, PRO84F, SER36E, SER36F, SER59E, SER59F, THR60E, THR60F, THR87E, THR87F, TYR22E, TYR22F, VAL19E, VAL19F, VAL20E, VAL20F, VAL21E, VAL21F, VAL31E, VAL31F, VAL53E, VAL53F, VAL88E, VAL88F, VAL90E, VAL90F
• E-G: ARG97E, ARG97G, GLY94G, HIS24E, HIS24G, ILE27E, MET25E, MET25G, PRO23E, PRO23G, TYR22E, TYR22G, VAL20E, VAL20G, VAL21E, VAL21G, VAL26E, VAL26G
• E-H: GLN79E, GLN79H, GLU93E, GLU93H, HIS24E, HIS24H, ILE27E, ILE27H, ILE77E, ILE77H, LEU78E, LEU78H, LEU91E, LEU91H, LEU95E, LYS48H, LYS89E, LYS89H, MET25E, MET25H, PHE30H, PRO28E, PRO28H, SER76E, VAL26E, VAL26H, VAL92E, VAL92H
• F-G: GLN79F, GLN79G, GLU93F, GLU93G, HIS24F, HIS24G, ILE27F, ILE27G, ILE77G, LEU78F, LEU78G, LEU81F, LEU81G, LEU91F, LEU91G, LEU95G, LYS89F, LYS89G, MET25F, MET25G, PHE30F, PRO28F, PRO28G, SER76F, SER76G, VAL26F, VAL26G, VAL92F, VAL92G
• F-H: ARG97F, ARG97H, HIS24F, HIS24H, MET25F, MET25H, PRO23F, PRO23H, TYR22F, TYR22H, VAL20F, VAL20H, VAL21F, VAL21H, VAL26F, VAL26H
• G-H: ALA54G, ALA54H, ALA58G, ALA58H, ARG17G, ARG17H, ARG33G, ARG33H, ARG38G, ASP18G, ASP18H, ASP61G, ASP61H, ASP67H, ASP85G, ASP85H, GLN55G, GLN55H, GLU34G, GLU34H, GLU57G, GLU57H, GLU62G, GLU62H, GLY32G, GLY32H, GLY86G, ILE27G, ILE27H, ILE37G, ILE37H, LEU14G, LEU14H, LEU16G, LEU16H, LEU29G, LEU29H, LEU52G, LEU68G, LEU83G, LEU83H, LYS35G, LYS35H, LYS56G, LYS56H, LYS89G, LYS89H, MET25G, MET25H, PHE110G, PHE30G, PHE30H, PHE69G, PHE69H, PRO15G, PRO15H, PRO28G, PRO28H, PRO63G, PRO63H, SER36G, SER36H, SER59G, SER59H, THR60G, THR60H, THR87G, THR87H, TYR22G, TYR22H, VAL19G, VAL19H, VAL20G, VAL20H, VAL21G, VAL21H, VAL31G, VAL31H, VAL53G, VAL53H, VAL88G, VAL88H, VAL90G, VAL90H, VAL92H