2PI8

crystal structure of e. coli mlta with bound chitohexaose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 87
  • Norm. En. per Res.: -1.7073
• 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	-5.8259	36.5702	-78.6294	-47.8851	71	5	0	4225	0	20	20
A-C	-7.0128	4.757	-77.9483	-80.2041	79	5	6	4260	0	20	27
A-D	0.0	13.1248	-105.684	-92.5592	78	6	1	4474	0	10	21
B-C	0.0	15.7824	-109.393	-93.6106	77	8	1	4675	0	10	19
B-D	0.0	-17.9822	-130.552	-148.5342	87	8	5	6103	2	22	28
C-D	-7.3899	51.629	-57.2324	-12.9933	52	5	0	2952	0	12	14

Interface residues

• A-B: ALA108A, ALA108B, ALA317A, ALA317B, ARG109A, ARG109B, ARG212A, ARG212B, ASN151A, ASN151B, ASN280A, ASN280B, ASP155A, ASP168A, ASP168B, ASP171A, ASP171B, GLN107A, GLN107B, GLN113A, GLN113B, GLU115A, GLU115B, GLU216A, GLU216B, GLU316A, GLU316B, GLY114A, GLY114B, GLY170A, GLY170B, GLY172A, GLY172B, GLY312A, GLY312B, GLY314A, GLY314B, HIS110A, HIS110B, HIS319A, HIS319B, ILE106A, ILE106B, ILE313A, ILE313B, LEU175A, LEU175B, PHE116A, PHE116B, PHE169A, PHE169B, PHE241A, PHE241B, PRO104A, PRO104B, PRO174A, PRO174B, PRO315A, PRO315B, SER173A, SER173B, THR103A, THR103B, THR111A, THR111B, TYR102A, TYR102B, TYR166A, TYR166B, VAL105A, VAL105B
• A-C: ALA32A, ALA32C, ALA36A, ALA36C, ALA40A, ALA40C, ALA70A, ALA70C, ARG255A, ARG255C, ARG291A, ARG291C, ARG320C, ARG47A, ARG47C, ARG69A, ARG69C, ARG75A, ARG75C, ASN280C, ASN285A, ASN285C, ASN35A, ASN35C, ASN44A, ASN44C, ASN48C, ASP279C, ASP38A, ASP38C, ASP73A, ASP73C, GLN287A, GLN287C, GLN65C, GLU274A, GLU289A, GLU289C, GLU316A, GLU316C, GLU41A, GLU41C, GLU66A, GLU66C, GLY254C, GLY31A, GLY31C, GLY37A, GLY37C, GLY71A, GLY71C, GLY72A, GLY72C, ILE34A, ILE34C, LEU277A, LEU277C, LEU278C, LEU290A, LEU290C, LEU68A, LEU68C, PHE241A, PHE241C, PHE39C, PHE80A, PHE80C, PRO174A, PRO174C, PRO33A, PRO33C, THR74A, TRP67A, TRP67C, TYR288A, TYR288C, VAL275C, VAL30A, VAL30C
• A-D: ALA148A, ALA148D, ALA242A, ALA242D, ARG109A, ARG112D, ARG122A, ARG122D, ARG47A, ARG47D, ARG52A, ARG52D, ASN176A, ASN176D, ASN44A, ASN44D, ASN48A, ASN48D, ASN56A, ASP143A, ASP143D, ASP171D, GLN113D, GLN239A, GLN239D, GLY55A, GLY55D, HIS110A, HIS110D, HIS45A, HIS45D, ILE146A, ILE146D, LEU147A, LEU147D, LEU175A, LEU175D, LEU53A, LEU53D, LYS144A, LYS144D, LYS237A, LYS237D, LYS245A, LYS245D, PHE169A, PHE169D, PHE177A, PHE177D, PHE241A, PHE241D, PRO174A, PRO174D, PRO238A, PRO238D, PRO243A, PRO243D, PRO51A, PRO51D, SER142A, SER142D, SER173A, SER173D, SER240A, SER240D, SER49A, SER49D, SER50A, SER50D, THR111A, THR111D, TYR145A, TYR145D, TYR149A, TYR149D, TYR166A, TYR166D, TYR54A
• B-C: ALA148C, ALA242B, ALA242C, ARG109C, ARG112C, ARG122B, ARG122C, ARG47B, ARG47C, ARG52B, ARG52C, ASN176B, ASN176C, ASN44B, ASN44C, ASN48B, ASN48C, ASN56B, ASN56C, ASP143B, ASP143C, ASP171B, ASP171C, GLN113C, GLN239B, GLN239C, GLY172C, GLY55B, GLY55C, HIS110B, HIS110C, HIS45B, ILE146B, ILE146C, LEU147B, LEU147C, LEU175B, LEU175C, LEU53B, LEU53C, LYS144B, LYS144C, LYS237B, LYS237C, LYS245B, LYS245C, PHE169B, PHE169C, PHE177B, PHE177C, PHE241B, PHE241C, PRO174B, PRO174C, PRO238B, PRO238C, PRO243B, PRO243C, PRO251B, PRO51B, PRO51C, SER173B, SER173C, SER240B, SER240C, SER49B, SER49C, SER50B, SER50C, THR111B, THR111C, TYR145B, TYR145C, TYR166B, TYR166C, TYR54B, VAL244B
• B-D: ALA29B, ALA32B, ALA32D, ALA36B, ALA36D, ALA40B, ALA40D, ALA70B, ALA70D, ARG255B, ARG255D, ARG291B, ARG291D, ARG320D, ARG47B, ARG69B, ARG69D, ARG75B, ARG75D, ASN280D, ASN285B, ASN285D, ASN35B, ASN35D, ASN44B, ASN44D, ASN48D, ASN76B, ASN76D, ASP279D, ASP38B, ASP38D, ASP73B, ASP73D, GLN287B, GLN287D, GLN311D, GLN65B, GLN65D, GLN79B, GLU274D, GLU289B, GLU289D, GLU316B, GLU316D, GLU41D, GLU66B, GLU66D, GLY254D, GLY31B, GLY31D, GLY37B, GLY37D, GLY71B, GLY71D, GLY72B, GLY72D, ILE34B, ILE34D, LEU277B, LEU277D, LEU278B, LEU278D, LEU290B, LEU290D, LEU292B, LEU68B, LEU68D, PHE241B, PHE241D, PHE39B, PHE39D, PHE80B, PRO174B, PRO174D, PRO33B, PRO33D, THR74B, TRP67B, TYR288B, TYR288D, TYR324D, VAL275B, VAL275D, VAL30B, VAL30D, VAL64B
• C-D: ALA108D, ARG109C, ARG109D, ASN151C, ASN151D, ASP168C, ASP168D, ASP171C, ASP171D, GLN107C, GLN107D, GLN113C, GLN113D, GLU115C, GLU115D, GLU216C, GLU216D, GLU316C, GLU316D, GLY114C, GLY114D, GLY170C, GLY170D, GLY172C, GLY172D, GLY314C, GLY314D, HIS319C, HIS319D, ILE106C, ILE106D, ILE313C, ILE313D, LEU175C, LEU175D, PHE116C, PHE116D, PHE169C, PHE169D, PHE241C, PHE241D, PRO174C, PRO174D, PRO315C, PRO315D, SER173C, SER173D, THR111C, TYR166C, TYR166D, VAL105C, VAL105D