2V0T

the a178l mutation in the c-terminal hinge of the flexible loop-6 of triosephosphate isomerase (tim) induces a more closed conformation of this hinge region in dimeric and monomeric tim

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 135
  • Norm. En. per Res.: -5.3182
• Hub Node: C(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	-115.3201	-78.7683	-521.36	-715.4484	136	15	18	18071	4	18	17
A-G	0.0	0.0	-2.703	-2.703	18	0	0	361	0	5	1
C-D	-3.1818	0.0	-14.4023	-17.5841	24	0	0	784	0	6	3
C-E	-123.8696	-70.9714	-523.11	-717.951	135	22	18	18016	4	20	16
C-F	-3.2129	0.0	-28.6374	-31.8503	46	4	1	1849	0	11	16
D-F	-122.6978	-69.9937	-521.492	-714.1835	139	19	18	17877	4	20	16
E-F	0.0	-7.991	-31.0444	-39.0354	45	1	1	2265	0	13	9
E-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	3	0
E-H	0.0	-8.1613	-12.9572	-21.1185	21	0	0	657	0	12	7
F-G	0.0	-7.2878	-16.6793	-23.9671	28	2	0	1212	1	5	4
F-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
G-H	-114.8681	-71.3421	-511.387	-697.5972	139	19	18	17752	4	20	16

Interface residues

• A-B: ALA42A, ALA42B, ALA49A, ALA49B, ALA64A, ALA64B, ALA67A, ALA67B, ALA69B, ALA73A, ALA73B, ARG98A, ARG98B, ARG99A, ARG99B, ASN11A, ASN11B, ASN15A, ASN15B, ASN66A, ASN66B, ASP85A, ASP85B, CYS126A, CYS126B, CYS14A, CYS14B, GLN18A, GLN18B, GLN19A, GLN19B, GLN65A, GLN65B, GLU104A, GLU104B, GLU167A, GLU167B, GLU53A, GLU53B, GLU77A, GLU77B, GLU97A, GLU97B, GLY103A, GLY103B, GLY16A, GLY16B, GLY234A, GLY234B, GLY235A, GLY235B, GLY72A, GLY72B, GLY76A, GLY76B, GLY87A, GLY87B, GLY94A, GLY94B, HIS47A, HIS47B, HIS95A, HIS95B, ILE108A, ILE108B, ILE172B, ILE68A, ILE68B, ILE82A, ILE82B, LEU21A, LEU21B, LEU232A, LEU232B, LEU238A, LEU238B, LEU48A, LEU48B, LEU80A, LEU80B, LEU83A, LEU83B, LEU93A, LEU93B, LYS112A, LYS112B, LYS13A, LYS13B, LYS52A, LYS52B, LYS70A, LYS70B, LYS84A, LYS84B, MET50A, MET50B, PHE45A, PHE45B, PHE74A, PHE74B, PHE86A, PHE86B, PRO81A, PRO81B, SER17A, SER17B, SER20A, SER20B, SER43A, SER43B, SER71A, SER71B, SER79A, SER79B, SER96A, SER96B, THR44A, THR44B, THR51A, THR51B, THR75A, THR75B, TRP12A, TRP12B, TYR101A, TYR101B, TYR102A, TYR102B, VAL46A, VAL46B, VAL78A, VAL78B, VAL88A, VAL88B, VAL92A, VAL92B
• A-G: ALA148G, ALA149G, ARG54A, ASN106G, ASN29A, ASN34A, ASP26A, GLU107G, LEU27A, LYS152G, LYS197G, LYS247A, SER30A, SER32A, THR105G, THR145G, THR31A, VAL243A
• C-D: ALA140C, ALA200C, ARG138C, ARG138D, GLN132D, GLU104D, GLU133D, GLY103D, GLY199C, ILE108D, ILE198C, LEU144C, LYS156C, LYS197C, SER136D, SER192C, SER195C, SER196C, THR105D, THR130D, THR145C, TRP193C, VAL141C, VAL194C
• C-E: ALA42C, ALA42E, ALA49C, ALA49E, ALA64C, ALA64E, ALA67C, ALA67E, ALA69C, ALA73C, ALA73E, ARG98C, ARG98E, ARG99C, ARG99E, ASN11C, ASN11E, ASN15C, ASN15E, ASN66C, ASN66E, ASP85C, ASP85E, CYS126C, CYS126E, CYS14C, CYS14E, GLN18C, GLN18E, GLN19C, GLN19E, GLN65C, GLN65E, GLU104C, GLU104E, GLU167C, GLU167E, GLU53E, GLU77C, GLU77E, GLU97C, GLU97E, GLY103C, GLY103E, GLY16C, GLY16E, GLY234C, GLY234E, GLY235C, GLY235E, GLY72C, GLY72E, GLY76C, GLY76E, GLY87C, GLY87E, GLY94C, GLY94E, HIS47C, HIS47E, HIS95C, HIS95E, ILE108C, ILE108E, ILE68C, ILE68E, ILE82C, ILE82E, LEU21C, LEU21E, LEU232C, LEU232E, LEU238C, LEU238E, LEU48C, LEU48E, LEU80C, LEU80E, LEU83C, LEU83E, LEU93C, LEU93E, LYS112C, LYS112E, LYS13C, LYS13E, LYS52C, LYS52E, LYS70C, LYS70E, LYS84C, LYS84E, MET50C, MET50E, PHE45C, PHE45E, PHE74C, PHE74E, PHE86C, PHE86E, PRO81C, PRO81E, SER17C, SER17E, SER20C, SER20E, SER43C, SER43E, SER71C, SER71E, SER79C, SER79E, SER96C, SER96E, THR44C, THR44E, THR51C, THR51E, THR75C, THR75E, TRP12C, TRP12E, TRP170E, TYR101C, TYR101E, TYR102C, TYR102E, VAL46C, VAL46E, VAL78C, VAL78E, VAL88C, VAL88E, VAL92C, VAL92E
• C-F: ALA100C, ALA100F, ALA149F, ARG138C, ARG138F, ARG99C, ARG99F, ASN106C, ASN106F, GLN132C, GLN132F, GLU104C, GLU107C, GLU107F, GLU133C, GLU133F, GLU135C, GLU135F, GLU97C, GLU97F, GLY103C, GLY103F, ILE108C, ILE108F, LEU131C, LEU131F, LYS152F, SER136C, SER136F, SER96C, THR105C, THR105F, THR130C, THR130F, THR145C, THR145F, TRP170F, TYR101C, TYR101F, TYR102C, TYR102F, VAL141C, VAL141F, VAL142C, VAL142F, VAL169C
• D-F: ALA100D, ALA42D, ALA42F, ALA49D, ALA49F, ALA64D, ALA64F, ALA67D, ALA67F, ALA69D, ALA69F, ALA73D, ALA73F, ARG98D, ARG98F, ARG99D, ARG99F, ASN11D, ASN11F, ASN15D, ASN15F, ASN66D, ASN66F, ASP85D, ASP85F, CYS126D, CYS126F, CYS14D, CYS14F, GLN18D, GLN18F, GLN19D, GLN19F, GLN65D, GLN65F, GLU104D, GLU104F, GLU167D, GLU167F, GLU53D, GLU53F, GLU77D, GLU77F, GLU97D, GLU97F, GLY103D, GLY103F, GLY16D, GLY16F, GLY234D, GLY234F, GLY235D, GLY235F, GLY72D, GLY72F, GLY76D, GLY76F, GLY87D, GLY87F, GLY94D, GLY94F, HIS47D, HIS47F, HIS95D, HIS95F, ILE108D, ILE108F, ILE172D, ILE68D, ILE68F, ILE82D, ILE82F, LEU21D, LEU21F, LEU232D, LEU232F, LEU238D, LEU238F, LEU48D, LEU48F, LEU80D, LEU80F, LEU83D, LEU83F, LEU93D, LEU93F, LYS112D, LYS112F, LYS13D, LYS13F, LYS52D, LYS52F, LYS70D, LYS70F, LYS84D, LYS84F, MET50D, MET50F, PHE45D, PHE45F, PHE74D, PHE74F, PHE86D, PHE86F, PRO81D, PRO81F, SER17D, SER17F, SER20D, SER20F, SER43D, SER43F, SER71D, SER71F, SER79D, SER79F, SER96D, SER96F, THR44D, THR44F, THR51D, THR51F, THR75D, THR75F, TRP12D, TRP12F, TRP170F, TYR101D, TYR101F, TYR102D, TYR102F, VAL46D, VAL46F, VAL78D, VAL78F, VAL88D, VAL88F, VAL92D, VAL92F
• E-F: ALA100E, ALA140F, ALA148F, ALA149E, ALA200F, ALA203F, ARG138E, ARG138F, ARG98E, ARG99E, ASN106E, ASP201F, GLN132E, GLN146E, GLU104E, GLU107E, GLU133E, GLY103E, GLY199F, ILE108E, ILE198F, LEU144F, LEU189F, LYS152F, LYS155F, LYS156F, LYS197F, PHE74E, SER136E, SER192F, SER195F, SER196F, SER96E, THR105E, THR130E, THR145E, THR145F, TRP193F, TYR101E, VAL109E, VAL141E, VAL141F, VAL142E, VAL194F, VAL202F
• E-G: GLU53G, LYS155E
• E-H: ALA148E, ALA149E, ALA151E, ARG54H, ASP26H, GLN18H, GLN19H, GLU23H, GLU53H, ILE198E, LEU154E, LYS152E, LYS153E, LYS155E, LYS156E, LYS197E, MET50H, SER196E, SER20H, SER22H, SER30H
• F-G: ALA115G, ALA116G, ALA118G, ALA157G, ALA160G, ALA69G, ARG134F, ASP85G, GLN181F, GLN182F, GLN225F, GLU135F, GLU185F, GLY120G, LEU131F, LEU178F, LEU80G, LYS161G, LYS70G, LYS84G, PHE121G, PRO180F, PRO81G, SER119G, SER71G, THR179F, THR221F, VAL117G
• F-H: ARG226F, LYS239H
• G-H: ALA42G, ALA42H, ALA49G, ALA49H, ALA64G, ALA64H, ALA67G, ALA67H, ALA69G, ALA69H, ALA73G, ALA73H, ARG98G, ARG98H, ARG99G, ARG99H, ASN11G, ASN11H, ASN15G, ASN15H, ASN66G, ASN66H, ASP85G, ASP85H, CYS126G, CYS126H, CYS14G, CYS14H, GLN18G, GLN18H, GLN19G, GLN19H, GLN65G, GLN65H, GLU104G, GLU104H, GLU167G, GLU167H, GLU77G, GLU77H, GLU97G, GLU97H, GLY103G, GLY103H, GLY16G, GLY16H, GLY173G, GLY234G, GLY234H, GLY235G, GLY235H, GLY72G, GLY72H, GLY76G, GLY76H, GLY87G, GLY87H, GLY94G, GLY94H, HIS47G, HIS47H, HIS95G, HIS95H, ILE108G, ILE108H, ILE172G, ILE68G, ILE68H, ILE82G, ILE82H, LEU21G, LEU21H, LEU232G, LEU232H, LEU238G, LEU238H, LEU48G, LEU48H, LEU80G, LEU80H, LEU83G, LEU83H, LEU93G, LEU93H, LYS112G, LYS112H, LYS13G, LYS13H, LYS176G, LYS52G, LYS52H, LYS70G, LYS70H, LYS84G, LYS84H, MET50G, MET50H, PHE45G, PHE45H, PHE74G, PHE74H, PHE86G, PHE86H, PRO81G, PRO81H, SER17G, SER17H, SER20G, SER20H, SER43G, SER43H, SER71G, SER71H, SER79G, SER79H, SER96G, SER96H, THR44G, THR44H, THR51G, THR51H, THR75G, THR75H, TRP12G, TRP12H, TRP170G, TRP170H, TYR101G, TYR101H, TYR102G, TYR102H, VAL46G, VAL46H, VAL78G, VAL78H, VAL88G, VAL88H, VAL92G, VAL92H