1MAL

structural basis for sugar translocation through maltoporin channels at 3.1 angstroms resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 163
  • Norm. En. per Res.: -3.2699
• Hub Node: A(2)

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	-62.0546	10.3576	-479.56	-531.2569	163	18	21	20534	3	27	25
A-C	-58.8546	10.542	-479.909	-528.2216	163	17	21	20537	3	27	25
B-C	-62.3696	10.3479	-480.972	-532.9938	163	19	21	20574	3	28	25

Interface residues

• A-B: ALA102A, ALA127A, ALA142A, ALA143A, ALA149A, ALA168A, ALA196A, ALA353B, ALA362B, ALA415B, ALA42A, ALA42B, ALA65A, ALA65B, ALA69B, ALA76B, ALA7B, ALA80A, ALA84A, ARG105A, ARG109A, ARG145A, ARG195A, ARG199A, ARG360B, ARG364B, ARG82A, ARG8B, ASN169A, ASN197A, ASN201A, ASN63A, ASN72B, ASN85A, ASN90A, ASP121A, ASP170A, ASP200A, ASP2A, ASP2B, ASP355B, ASP61A, ASP73B, ASP78A, ASP78B, CYS22B, GLN20B, GLN21B, GLN242A, GLN349B, GLN350B, GLN352B, GLN416B, GLN48A, GLN70B, GLN71B, GLN87A, GLU148A, GLU166A, GLU19B, GLU39B, GLU410B, GLU418B, GLU43A, GLU43B, GLU49A, GLU53A, GLU75B, GLU83A, GLU93A, GLY103A, GLY10B, GLY124A, GLY126A, GLY128A, GLY12B, GLY15B, GLY17B, GLY18B, GLY354B, GLY414B, GLY47A, GLY5B, GLY88A, HIS4B, ILE100A, ILE11B, ILE122A, ILE319B, ILE363B, ILE419B, ILE92A, LEU129A, LEU198A, LEU246A, LEU44A, LEU44B, LEU46A, LEU46B, LEU91A, LYS104A, LYS45A, LYS45B, LYS52A, LYS56A, LYS89A, MET320B, MET417B, PHE106A, PHE172A, PHE3A, PHE3B, PHE413B, PHE58A, PHE60A, PHE81A, PRO125A, PRO318B, PRO361B, PRO79A, PRO79B, SER123A, SER146A, SER147A, SER16B, SER359B, SER57A, SER67A, SER67B, SER9B, THR144A, THR14B, THR167A, THR317B, THR40B, THR62A, THR77A, THR77B, THR99A, TRP101A, TRP13B, TRP351B, TRP420B, TRP421B, TRP51A, TRP74B, TRP94A, TYR202A, TYR41A, TYR41B, TYR59A, TYR66A, TYR66B, TYR6B, VAL171A, VAL1A, VAL1B, VAL365B, VAL50A, VAL64A, VAL64B, VAL68B, VAL86A
• A-C: ALA102C, ALA127C, ALA142C, ALA143C, ALA149C, ALA168C, ALA196C, ALA353A, ALA362A, ALA415A, ALA42A, ALA42C, ALA65A, ALA65C, ALA69A, ALA76A, ALA7A, ALA80C, ALA84C, ARG105C, ARG109C, ARG145C, ARG195C, ARG199C, ARG360A, ARG364A, ARG82C, ARG8A, ASN169C, ASN197C, ASN201C, ASN63C, ASN72A, ASN85C, ASN90C, ASP121C, ASP170C, ASP200C, ASP2A, ASP2C, ASP355A, ASP61C, ASP73A, ASP78A, ASP78C, CYS22A, GLN20A, GLN21A, GLN242C, GLN349A, GLN350A, GLN352A, GLN416A, GLN48C, GLN70A, GLN71A, GLN87C, GLU148C, GLU166C, GLU19A, GLU39A, GLU410A, GLU418A, GLU43A, GLU43C, GLU49C, GLU53C, GLU75A, GLU83C, GLU93C, GLY103C, GLY10A, GLY124C, GLY126C, GLY128C, GLY12A, GLY15A, GLY17A, GLY18A, GLY354A, GLY414A, GLY47C, GLY5A, GLY88C, HIS4A, ILE100C, ILE11A, ILE122C, ILE319A, ILE363A, ILE419A, ILE92C, LEU129C, LEU198C, LEU246C, LEU44A, LEU44C, LEU46A, LEU46C, LEU91C, LYS104C, LYS45A, LYS45C, LYS52C, LYS56C, LYS89C, MET320A, MET417A, PHE106C, PHE172C, PHE3A, PHE3C, PHE413A, PHE58C, PHE60C, PHE81C, PRO125C, PRO318A, PRO361A, PRO79A, PRO79C, SER123C, SER146C, SER147C, SER16A, SER359A, SER57C, SER67A, SER67C, SER9A, THR144C, THR14A, THR167C, THR317A, THR40A, THR62C, THR77A, THR77C, THR99C, TRP101C, TRP13A, TRP351A, TRP420A, TRP421A, TRP51C, TRP74A, TRP94C, TYR202C, TYR41A, TYR41C, TYR59C, TYR66A, TYR66C, TYR6A, VAL171C, VAL1A, VAL1C, VAL365A, VAL50C, VAL64A, VAL64C, VAL68A, VAL86C
• B-C: ALA102B, ALA127B, ALA142B, ALA143B, ALA149B, ALA168B, ALA196B, ALA353C, ALA362C, ALA415C, ALA42B, ALA42C, ALA65B, ALA65C, ALA69C, ALA76C, ALA7C, ALA80B, ALA84B, ARG105B, ARG109B, ARG145B, ARG195B, ARG199B, ARG360C, ARG364C, ARG82B, ARG8C, ASN169B, ASN197B, ASN201B, ASN63B, ASN72C, ASN85B, ASN90B, ASP121B, ASP170B, ASP200B, ASP2B, ASP2C, ASP355C, ASP61B, ASP73C, ASP78B, ASP78C, CYS22C, GLN20C, GLN21C, GLN242B, GLN349C, GLN350C, GLN352C, GLN416C, GLN48B, GLN70C, GLN71C, GLN87B, GLU148B, GLU166B, GLU19C, GLU39C, GLU410C, GLU418C, GLU43B, GLU43C, GLU49B, GLU53B, GLU75C, GLU83B, GLU93B, GLY103B, GLY10C, GLY124B, GLY126B, GLY128B, GLY12C, GLY15C, GLY17C, GLY18C, GLY354C, GLY414C, GLY47B, GLY5C, GLY88B, HIS4C, ILE100B, ILE11C, ILE122B, ILE319C, ILE363C, ILE419C, ILE92B, LEU129B, LEU198B, LEU246B, LEU44B, LEU44C, LEU46B, LEU46C, LEU91B, LYS104B, LYS45B, LYS45C, LYS52B, LYS56B, LYS89B, MET320C, MET417C, PHE106B, PHE172B, PHE3B, PHE3C, PHE413C, PHE58B, PHE60B, PHE81B, PRO125B, PRO318C, PRO361C, PRO79B, PRO79C, SER123B, SER146B, SER147B, SER16C, SER359C, SER57B, SER67B, SER67C, SER9C, THR144B, THR14C, THR167B, THR317C, THR40C, THR62B, THR77B, THR77C, THR99B, TRP101B, TRP13C, TRP351C, TRP420C, TRP421C, TRP51B, TRP74C, TRP94B, TYR202B, TYR41B, TYR41C, TYR59B, TYR66B, TYR66C, TYR6C, VAL171B, VAL1B, VAL1C, VAL365C, VAL50B, VAL64B, VAL64C, VAL68C, VAL86B