1ZHS

crystal structure of mvl bound to man3glcnac2

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 173
  • Norm. En. per Res.: -3.2696
• Hub Node: A(7)

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	-22.6558	-15.9187	-522.647	-561.2215	174	10	36	22241	2	18	13
A-C	0.0	0.0	-10.0772	-10.0772	11	0	0	443	0	2	1
A-D	0.0	0.0	-0.0019	-0.0019	2	0	0	1	0	0	1
A-E	0.0	0.0	-0.0216	-0.0216	2	0	0	6	0	0	2
A-F	-14.6213	0.0	-41.0606	-55.6819	27	5	0	1712	0	2	4
A-G	0.0	0.0	-35.8767	-35.8767	15	5	0	1099	0	0	2
A-H	0.0	0.0	-14.5565	-14.5565	14	0	1	824	0	0	1
B-E	-4.1247	10.9729	-56.5744	-49.7262	32	2	0	2071	0	1	5
B-F	0.0	0.0	-19.2374	-19.2374	40	0	0	1501	0	4	1
B-G	0.0	0.0	-0.0462	-0.0462	7	0	0	16	0	6	4
B-H	-11.2854	0.0	-32.2886	-43.574	16	3	0	1112	0	0	4
C-D	-24.536	-13.0838	-512.075	-549.6949	171	12	35	22172	0	18	14
C-G	0.0	0.0	-15.953	-15.953	43	0	0	1462	0	4	1
C-H	-9.8035	8.1855	-37.3106	-38.9285	27	1	0	1736	0	1	4
D-G	-12.7246	14.1174	-57.6212	-56.2285	31	3	0	2052	0	1	5
E-F	-15.176	-12.897	-509.175	-537.248	171	9	35	21893	0	18	14
F-H	0.0	0.0	-10.5037	-10.5037	13	0	0	474	0	2	1
G-H	-23.9876	-15.4135	-526.241	-565.642	173	10	34	22228	2	18	14

Interface residues

• A-B: ALA18A, ALA18B, ALA1A, ALA1B, ALA26A, ALA26B, ALA27A, ALA27B, ALA28A, ALA28B, ALA44A, ALA44B, ALA68A, ALA68B, ALA85A, ALA85B, ALA86A, ALA86B, ALA90A, ALA90B, ALA9A, ALA9B, ARG97A, ARG97B, ASN56A, ASN56B, ASN6A, ASN6B, ASP65A, ASP65B, GLN108B, GLN20A, GLN20B, GLN30A, GLN30B, GLN53A, GLN53B, GLN83A, GLN83B, GLU101A, GLU101B, GLU17A, GLU17B, GLU42A, GLU42B, GLU55A, GLU55B, GLU61A, GLU61B, GLU76A, GLU76B, GLY10A, GLY10B, GLY22A, GLY22B, GLY31A, GLY31B, GLY58A, GLY58B, GLY69A, GLY69B, GLY81A, GLY89A, GLY89B, HIS29A, HIS29B, HIS60A, HIS60B, ILE107A, ILE107B, ILE109A, ILE109B, ILE25A, ILE25B, ILE59A, ILE59B, ILE7A, ILE7B, ILE84A, ILE84B, ILE99A, ILE99B, LEU12A, LEU12B, LEU52A, LEU52B, LEU67A, LEU67B, LEU71A, LEU71B, LEU80A, LEU80B, LYS110A, LYS110B, LYS24A, LYS24B, LYS4A, LYS4B, LYS63A, LYS63B, LYS79A, LYS79B, MET104A, MET104B, MET45A, MET45B, PHE113A, PHE113B, PHE62A, PHE62B, PRO11A, PRO11B, PRO23A, PRO23B, PRO70A, PRO70B, PRO82A, PRO82B, PRO8A, PRO8B, SER105A, SER105B, SER2A, SER2B, SER43A, SER43B, SER46A, SER46B, SER87A, SER87B, THR112A, THR112B, THR38A, THR38B, THR39A, THR39B, THR64A, THR64B, THR98A, THR98B, TRP13A, TRP13B, TRP72A, TRP72B, TYR111A, TYR111B, TYR3A, TYR3B, TYR88A, TYR88B, VAL100A, VAL100B, VAL103A, VAL103B, VAL106A, VAL106B, VAL21A, VAL21B, VAL40A, VAL40B, VAL41A, VAL41B, VAL47A, VAL47B, VAL48A, VAL48B, VAL50A, VAL50B, VAL54A, VAL54B, VAL5A, VAL5B, VAL66A, VAL66B
• A-C: ALA16A, ASN15A, GLU17A, GLU42A, GLU61C, GLY58C, HIS60C, ILE59C, LEU12A, SER14A, TRP13A
• A-D: GLU42A, VAL100D
• A-E: GLU101A, VAL41E
• A-F: ALA1F, ASN32F, GLN19F, GLN36F, GLN53F, GLU101A, GLU51F, GLU55F, GLU76A, GLY102A, GLY31F, GLY35F, LEU52F, LYS4F, LYS79A, MET104A, PHE33F, PRO70A, SER2F, SER73A, THR34F, THR98A, TRP72A, TYR3F, VAL100A, VAL103A, VAL54F
• A-G: ALA1G, ALA44A, ASN56G, GLN53G, GLU17A, GLU42A, GLU55G, LEU12A, PRO11A, SER14A, SER2G, SER43A, THR57G, TRP13A, VAL54G
• A-H: ALA44A, ALA44H, GLU42A, GLU42H, MET45A, MET45H, PRO11A, PRO11H, SER43A, SER43H, TRP13A, TRP13H, VAL41A, VAL41H
• B-E: ALA1B, ALA26B, ASN32B, GLN19B, GLN30B, GLN36B, GLN53B, GLU101E, GLU49B, GLU51B, GLU76E, GLY102E, GLY31B, GLY35B, GLY69E, LEU52B, LEU71E, LYS4B, LYS79E, MET104E, PHE33B, PRO70E, SER105E, SER2B, SER73E, THR34B, THR98E, TRP72E, TYR3B, VAL100E, VAL103E, VAL50B
• B-F: ALA16B, ALA16F, ALA1B, ALA1F, ALA27B, ALA27F, ASN15B, ASN15F, ASN32B, ASN32F, ASN56B, ASN56F, GLN19B, GLN19F, GLN20B, GLN20F, GLN53B, GLN53F, GLU55B, GLU55F, GLY35B, GLY35F, GLY58B, GLY58F, HIS60B, HIS60F, ILE59B, ILE59F, LYS24B, LYS24F, PHE113B, PHE113F, PHE33B, PHE33F, PRO23B, PRO23F, THR34B, THR34F, THR57B, THR57F
• B-G: GLN78G, GLY94B, LYS110B, LYS110G, LYS79B, LYS79G, THR93B
• B-H: ALA1B, ALA44H, ASN56B, GLN53B, GLU17H, GLU42H, GLU55B, GLY58B, LEU12H, PRO11H, SER14H, SER2B, SER43H, THR57B, TRP13H, VAL54B
• C-D: ALA18C, ALA18D, ALA1C, ALA1D, ALA26C, ALA26D, ALA27C, ALA27D, ALA28C, ALA28D, ALA44C, ALA44D, ALA68C, ALA68D, ALA85C, ALA85D, ALA86C, ALA86D, ALA90C, ALA90D, ALA9C, ALA9D, ARG97C, ARG97D, ASN56C, ASN56D, ASN6C, ASN6D, ASP65C, ASP65D, GLN108C, GLN108D, GLN20C, GLN20D, GLN30C, GLN30D, GLN53C, GLN53D, GLN83C, GLN83D, GLU101C, GLU101D, GLU17C, GLU17D, GLU42C, GLU42D, GLU55C, GLU55D, GLU61C, GLU61D, GLU76C, GLU76D, GLY10C, GLY10D, GLY22C, GLY22D, GLY31C, GLY31D, GLY69C, GLY69D, GLY81C, GLY89C, GLY89D, HIS29C, HIS29D, HIS60C, HIS60D, ILE107C, ILE107D, ILE109C, ILE109D, ILE25C, ILE25D, ILE59C, ILE59D, ILE7C, ILE7D, ILE84C, ILE84D, ILE99C, ILE99D, LEU12C, LEU12D, LEU52C, LEU52D, LEU67C, LEU67D, LEU71C, LEU71D, LEU80C, LEU80D, LYS110C, LYS110D, LYS24C, LYS24D, LYS4C, LYS4D, LYS63C, LYS63D, LYS79C, LYS79D, MET104C, MET104D, MET45C, MET45D, PHE113C, PHE113D, PHE62C, PHE62D, PRO11C, PRO11D, PRO23C, PRO23D, PRO70C, PRO70D, PRO82C, PRO82D, PRO8C, PRO8D, SER105C, SER105D, SER2C, SER2D, SER43C, SER43D, SER46C, SER46D, SER87C, SER87D, THR112C, THR112D, THR38D, THR39C, THR39D, THR64C, THR64D, THR98C, TRP13C, TRP13D, TRP72C, TRP72D, TYR111C, TYR111D, TYR3C, TYR3D, TYR88C, TYR88D, VAL100C, VAL100D, VAL103C, VAL103D, VAL106C, VAL106D, VAL21C, VAL21D, VAL40C, VAL40D, VAL41C, VAL41D, VAL47C, VAL47D, VAL48C, VAL48D, VAL50C, VAL50D, VAL54C, VAL54D, VAL5C, VAL5D, VAL66C, VAL66D
• C-G: ALA16C, ALA16G, ALA18C, ALA1C, ALA1G, ALA27C, ALA27G, ASN15C, ASN15G, ASN32C, ASN32G, ASN56C, ASN56G, GLN19C, GLN19G, GLN20C, GLN20G, GLN53C, GLN53G, GLU17C, GLU55C, GLU55G, GLY35C, GLY35G, GLY58C, GLY58G, HIS60C, HIS60G, ILE59C, ILE59G, LYS24C, LYS24G, PHE113C, PHE113G, PHE33C, PHE33G, PRO23C, PRO23G, SER2G, THR34C, THR34G, THR57C, THR57G
• C-H: ALA1C, ASN32C, GLN19C, GLN36C, GLN53C, GLU101H, GLU51C, GLU55C, GLU76H, GLY102H, GLY31C, GLY35C, LEU52C, LYS4C, LYS79H, MET104H, PHE33C, PRO70H, SER2C, SER73H, THR34C, THR57C, TRP72H, TYR3C, VAL100H, VAL103H, VAL54C
• D-G: ALA1G, ALA26G, ASN32G, GLN19G, GLN36G, GLN53G, GLU101D, GLU49G, GLU51G, GLU76D, GLY102D, GLY31G, GLY35G, GLY69D, LEU52G, LEU71D, LYS4G, LYS79D, MET104D, PHE33G, PRO70D, SER105D, SER2G, SER73D, THR34G, THR98D, TRP72D, TYR3G, VAL100D, VAL103D, VAL50G
• E-F: ALA18E, ALA18F, ALA1E, ALA1F, ALA26E, ALA26F, ALA27E, ALA27F, ALA28E, ALA28F, ALA44E, ALA44F, ALA68E, ALA68F, ALA85E, ALA85F, ALA86E, ALA86F, ALA90E, ALA90F, ALA9E, ALA9F, ARG97E, ARG97F, ASN56E, ASN56F, ASN6E, ASN6F, ASP65E, ASP65F, GLN108E, GLN108F, GLN20E, GLN20F, GLN30E, GLN30F, GLN53E, GLN53F, GLN83E, GLN83F, GLU101E, GLU101F, GLU17E, GLU17F, GLU42E, GLU42F, GLU51F, GLU55E, GLU55F, GLU61E, GLU61F, GLU76E, GLU76F, GLY10E, GLY10F, GLY22E, GLY22F, GLY31E, GLY31F, GLY69E, GLY69F, GLY81E, GLY89E, GLY89F, HIS29E, HIS29F, HIS60E, HIS60F, ILE107E, ILE107F, ILE109E, ILE109F, ILE25E, ILE25F, ILE59E, ILE59F, ILE7E, ILE7F, ILE84E, ILE84F, ILE99E, ILE99F, LEU12E, LEU12F, LEU52E, LEU52F, LEU67E, LEU67F, LEU71E, LEU71F, LEU80E, LEU80F, LYS110E, LYS110F, LYS24E, LYS24F, LYS4E, LYS4F, LYS63E, LYS63F, LYS79E, LYS79F, MET104E, MET104F, MET45E, MET45F, PHE113E, PHE113F, PHE62E, PHE62F, PRO11E, PRO11F, PRO23E, PRO23F, PRO70E, PRO70F, PRO82E, PRO82F, PRO8E, PRO8F, SER105E, SER105F, SER2E, SER2F, SER43E, SER43F, SER46E, SER46F, SER87E, SER87F, THR112E, THR112F, THR39E, THR39F, THR64E, THR64F, THR98F, TRP13E, TRP13F, TRP72E, TRP72F, TYR111E, TYR111F, TYR3E, TYR3F, TYR88E, TYR88F, VAL100E, VAL100F, VAL103E, VAL103F, VAL106E, VAL106F, VAL21E, VAL21F, VAL40E, VAL40F, VAL41E, VAL41F, VAL47E, VAL47F, VAL48E, VAL48F, VAL50E, VAL50F, VAL54E, VAL54F, VAL5E, VAL5F, VAL66E, VAL66F
• F-H: ALA16H, ASN15H, GLU17H, GLU42H, GLU61F, GLY58F, HIS60F, ILE59F, LEU12H, SER14H, SER43H, TRP13H, TRP37H
• G-H: ALA18G, ALA18H, ALA1G, ALA1H, ALA26G, ALA26H, ALA27G, ALA27H, ALA28G, ALA28H, ALA44G, ALA44H, ALA68G, ALA68H, ALA85G, ALA85H, ALA86G, ALA86H, ALA90G, ALA90H, ALA9G, ALA9H, ARG97G, ARG97H, ASN56G, ASN56H, ASN6G, ASN6H, ASP65G, ASP65H, GLN108G, GLN20G, GLN20H, GLN30G, GLN30H, GLN53G, GLN53H, GLN83G, GLN83H, GLU101G, GLU101H, GLU17G, GLU17H, GLU42G, GLU42H, GLU55G, GLU55H, GLU61G, GLU61H, GLU76G, GLU76H, GLY10G, GLY10H, GLY22G, GLY22H, GLY31G, GLY31H, GLY58G, GLY58H, GLY69G, GLY69H, GLY81G, GLY81H, GLY89G, GLY89H, HIS29G, HIS29H, HIS60G, HIS60H, ILE107G, ILE107H, ILE109G, ILE109H, ILE25G, ILE25H, ILE59G, ILE59H, ILE7G, ILE7H, ILE84G, ILE84H, ILE99G, ILE99H, LEU12G, LEU12H, LEU52G, LEU52H, LEU67G, LEU67H, LEU71G, LEU71H, LEU80G, LEU80H, LYS110G, LYS110H, LYS24G, LYS24H, LYS4G, LYS4H, LYS63G, LYS63H, LYS79G, LYS79H, MET104G, MET104H, MET45G, MET45H, PHE113G, PHE113H, PHE62G, PHE62H, PRO11G, PRO11H, PRO23G, PRO23H, PRO70G, PRO70H, PRO82G, PRO82H, PRO8G, PRO8H, SER105G, SER105H, SER2G, SER2H, SER43G, SER43H, SER46G, SER46H, SER87G, SER87H, THR112G, THR112H, THR38G, THR39G, THR39H, THR64G, THR64H, THR98G, TRP13G, TRP13H, TRP72G, TRP72H, TYR111G, TYR111H, TYR3G, TYR3H, TYR88G, TYR88H, VAL100G, VAL100H, VAL103G, VAL103H, VAL106G, VAL106H, VAL21G, VAL21H, VAL40G, VAL40H, VAL41G, VAL41H, VAL47G, VAL47H, VAL48G, VAL48H, VAL50G, VAL50H, VAL54G, VAL54H, VAL5G, VAL5H, VAL66G, VAL66H