2B5F

crystal structure of the spinach aquaporin sopip2;1 in an open conformation to 3.9 resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 140
  • Norm. En. per Res.: -2.1571
• 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	0.0	0.0	397.509	397.509	144	34	19	14693	0	1	2
A-C	-13.3448	-3.9514	-284.692	-301.9882	140	16	18	14085	0	2	6
A-D	0.0	0.0	-3.9417	-3.9417	15	0	0	288	0	0	0
B-C	0.0	0.0	-3.2997	-3.2997	16	0	0	258	0	0	0
B-D	-2.992	0.0	-278.149	-281.141	137	11	20	13433	0	0	2
C-D	-8.2101	0.0	357.014	348.8039	142	39	20	15680	0	2	2

Interface residues

• A-B: ALA139B, ALA156A, ALA164A, ALA167A, ALA182A, ALA198A, ALA198B, ALA205A, ALA212A, ALA256A, ALA40B, ALA43B, ALA47B, ALA57B, ALA78A, ALA78B, ALA80B, ALA93B, ARG39B, ASN160A, ASP184A, CYS69A, CYS69B, CYS91B, GLN261A, GLU168A, GLU44B, GLU65B, GLY133B, GLY143B, GLY158A, GLY162A, GLY166A, GLY171A, GLY203A, GLY203B, GLY61B, GLY70A, GLY70B, GLY73A, GLY73B, GLY76A, GLY76B, GLY82B, GLY83B, GLY94B, HIS210A, HIS260A, HIS62A, HIS62B, ILE100B, ILE169A, ILE170A, ILE196A, ILE202A, ILE214A, ILE216A, ILE42B, ILE46B, ILE54B, ILE60B, ILE77A, ILE77B, ILE85B, ILE95B, LEU136B, LEU157A, LEU165A, LEU175A, LEU197A, LEU200A, LEU200B, LEU211A, LEU49B, LEU50B, LEU74A, LEU74B, LEU75A, LEU75B, LEU88B, LYS142B, LYS161A, LYS186A, LYS64B, MET141B, MET208A, MET84B, PHE140B, PHE173A, PHE180A, PHE204A, PHE204B, PHE207A, PHE207B, PHE45B, PHE51B, PHE81B, PHE86B, PRO144B, PRO199A, PRO199B, PRO201A, PRO215A, SER181A, SER63A, SER71A, SER71B, SER96B, THR163A, THR172A, THR178A, THR183A, THR213A, THR55B, THR58B, THR92B, TRP35B, TRP79A, TRP79B, TYR145B, TYR159A, TYR177A, TYR259A, TYR262A, TYR53B, TYR90B, VAL137B, VAL174A, VAL176A, VAL179A, VAL206A, VAL209A, VAL255A, VAL263A, VAL56B, VAL59B, VAL67A, VAL67B, VAL68A, VAL68B, VAL72A, VAL72B, VAL87B, VAL89B
• A-C: ALA139A, ALA156C, ALA164C, ALA167C, ALA182C, ALA198C, ALA205C, ALA212C, ALA256C, ALA40A, ALA43A, ALA47A, ALA57A, ALA78A, ALA78C, ALA80A, ALA93A, ARG190A, ARG39A, ASN160C, ASP184C, CYS69A, CYS69C, CYS91A, GLN261C, GLU168C, GLU44A, GLU65A, GLY133A, GLY143A, GLY158C, GLY162C, GLY166C, GLY171C, GLY203A, GLY203C, GLY61A, GLY70A, GLY70C, GLY73A, GLY73C, GLY76A, GLY76C, GLY82A, GLY83A, HIS193A, HIS210C, HIS260C, HIS62A, HIS62C, ILE169C, ILE170C, ILE196A, ILE202C, ILE214C, ILE216C, ILE42A, ILE46A, ILE54A, ILE60A, ILE77A, ILE77C, ILE85A, ILE95A, LEU136A, LEU157C, LEU165C, LEU175C, LEU197A, LEU197C, LEU200A, LEU200C, LEU211C, LEU49A, LEU50A, LEU74A, LEU74C, LEU75A, LEU75C, LEU88A, LYS142A, LYS186C, LYS64A, MET141A, MET208C, MET84A, PHE140A, PHE173C, PHE180C, PHE204A, PHE204C, PHE207A, PHE207C, PHE45A, PHE51A, PHE81A, PHE86A, PRO144A, PRO185C, PRO199A, PRO199C, PRO201C, PRO215C, SER181C, SER192A, SER36A, SER71A, THR163C, THR178C, THR183C, THR213C, THR217C, THR55A, THR58A, THR92A, TRP35A, TRP79A, TRP79C, TYR145A, TYR159C, TYR177C, TYR259C, TYR262C, TYR53A, TYR90A, VAL137A, VAL174C, VAL179C, VAL194A, VAL206C, VAL209C, VAL255C, VAL263C, VAL56A, VAL59A, VAL67A, VAL68A, VAL68C, VAL72A, VAL87A
• A-D: CYS69A, CYS69D, ILE196A, LEU200A, LEU200D, LEU75A, LEU75D, PHE204A, PHE204D, TRP79A, TRP79D, VAL68A, VAL68D, VAL72A, VAL72D
• B-C: CYS69B, CYS69C, LEU200B, LEU200C, LEU75B, LEU75C, PHE204B, PHE204C, PHE207B, PHE207C, TRP79B, TRP79C, VAL68B, VAL68C, VAL72B, VAL72C
• B-D: ALA139D, ALA156B, ALA164B, ALA167B, ALA182B, ALA198B, ALA205B, ALA212B, ALA40D, ALA43D, ALA47D, ALA57D, ALA78B, ALA78D, ALA80D, ALA93D, ARG39D, ASN160B, ASP184B, CYS69B, CYS69D, CYS91D, GLN261B, GLU168B, GLU44D, GLU65D, GLY133D, GLY158B, GLY162B, GLY166B, GLY171B, GLY203B, GLY203D, GLY61D, GLY70B, GLY70D, GLY73B, GLY73D, GLY76B, GLY76D, GLY82D, GLY83D, GLY94D, HIS210B, HIS260B, HIS62B, HIS62D, ILE100D, ILE169B, ILE170B, ILE202B, ILE214B, ILE216B, ILE42D, ILE46D, ILE54D, ILE60D, ILE77B, ILE77D, ILE85D, ILE95D, LEU136D, LEU157B, LEU165B, LEU175B, LEU200B, LEU200D, LEU211B, LEU49D, LEU50D, LEU74B, LEU74D, LEU75B, LEU75D, LEU88D, LYS138D, LYS142D, LYS64D, MET141D, MET208B, MET84D, PHE140D, PHE173B, PHE180B, PHE204B, PHE204D, PHE207B, PHE207D, PHE45D, PHE51D, PHE81D, PHE86D, PRO144D, PRO199B, PRO199D, PRO201B, PRO215B, SER181B, SER36D, SER71B, SER71D, SER96D, THR163B, THR172B, THR178B, THR183B, THR213B, THR48D, THR55D, THR58D, THR66D, THR92D, TRP35D, TRP38D, TRP79B, TRP79D, TYR145D, TYR159B, TYR177B, TYR259B, TYR262B, TYR53D, TYR90D, VAL137D, VAL174B, VAL179B, VAL206B, VAL209B, VAL255B, VAL263B, VAL56D, VAL59D, VAL67D, VAL68B, VAL68D, VAL72D, VAL87D
• C-D: ALA139C, ALA156D, ALA164D, ALA167D, ALA182D, ALA198D, ALA205D, ALA212D, ALA256D, ALA40C, ALA41C, ALA43C, ALA47C, ALA57C, ALA78C, ALA78D, ALA80C, ARG39C, ASN160D, ASP184D, CYS69C, CYS69D, CYS91C, GLN261D, GLU168D, GLU44C, GLU65C, GLY133C, GLY143C, GLY158D, GLY162D, GLY166D, GLY171D, GLY203C, GLY203D, GLY61C, GLY70C, GLY70D, GLY73C, GLY73D, GLY76C, GLY76D, GLY82C, GLY83C, HIS210D, HIS260D, HIS62C, HIS62D, ILE100C, ILE169D, ILE170D, ILE202D, ILE214D, ILE216D, ILE221D, ILE42C, ILE46C, ILE54C, ILE60C, ILE77C, ILE77D, ILE85C, ILE95C, LEU136C, LEU157D, LEU165D, LEU175D, LEU197D, LEU200C, LEU200D, LEU211D, LEU49C, LEU50C, LEU74C, LEU74D, LEU75C, LEU75D, LEU88C, LYS138C, LYS142C, LYS64C, MET141C, MET208D, MET84C, PHE140C, PHE173D, PHE180D, PHE204C, PHE204D, PHE207C, PHE207D, PHE37C, PHE45C, PHE51C, PHE81C, PHE86C, PRO144C, PRO185D, PRO199C, PRO199D, PRO201D, PRO215D, SER181D, SER36C, SER71C, SER71D, SER96C, THR163D, THR172D, THR178D, THR183D, THR213D, THR217D, THR55C, THR58C, THR92C, TRP35C, TRP38C, TRP79C, TRP79D, TYR145C, TYR159D, TYR177D, TYR259D, TYR262D, TYR53C, TYR90C, VAL137C, VAL174D, VAL179D, VAL206D, VAL209D, VAL255D, VAL263D, VAL56C, VAL59C, VAL67C, VAL68C, VAL68D, VAL72C, VAL72D, VAL87C