2ZRS

crystal structure of ca2+-bound form of des3-23alg-2

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 87
  • Norm. En. per Res.: -4.2805
• Hub Node: D(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	-29.3078	-1.7571	-358.651	-389.716	104	25	9	13874	0	13	15
A-C	0.0	0.0	-0.0185	-0.0185	3	0	0	17	0	4	4
B-C	-20.6855	-35.2848	-147.781	-203.7513	86	17	0	6643	1	12	11
C-D	-61.0842	0.0	-311.317	-372.4012	87	14	11	11658	0	11	8
D-E	-15.7441	-9.4661	-163.845	-189.0552	93	6	0	6617	0	11	10
D-F	0.0	0.0	-0.0234	-0.0234	3	0	0	14	0	0	0
D-G	-3.5675	5.6968	-35.3083	-33.1791	16	4	0	1329	0	11	13
E-F	-15.9033	0.0	-394.895	-410.7983	101	26	19	15230	0	11	13
F-G	-27.6659	-21.5399	-155.266	-204.4718	89	10	0	6793	0	11	11
G-H	-35.1822	0.0	-194.118	-229.3002	75	23	8	8565	0	7	8

Interface residues

• A-B: ARG125A, ARG125B, ARG136A, ARG136B, ARG140B, ARG160A, ARG160B, ARG166A, ARG166B, ARG167B, ARG66A, ASN61B, ASN76A, ASP128A, ASP128B, ASP139B, ASP163A, ASP163B, ASP169A, ASP169B, ASP171A, ASP171B, ASP173A, ASP173B, ASP45A, CYS155A, GLN129A, GLN129B, GLN141B, GLN159A, GLN159B, GLN172B, GLN177A, GLN177B, GLN182A, GLN182B, GLU181A, GLU181B, GLY123A, GLY123B, GLY142B, GLY154A, GLY174A, GLY174B, HIS131A, HIS131B, ILE133A, ILE133B, ILE164A, ILE164B, ILE176A, ILE176B, LEU119A, LEU126A, LEU126B, LEU134A, LEU134B, LEU158A, LEU158B, LEU161A, LEU161B, LEU184A, LEU184B, LYS137A, LYS137B, LYS77A, MET186A, MET186B, PHE130A, PHE130B, PHE138A, PHE138B, PHE165A, PHE165B, PHE188A, PHE188B, PRO62A, PRO62B, SER127A, SER127B, SER179A, SER179B, SER185A, SER185B, THR162A, THR162B, TRP175A, TRP175B, TYR124A, TYR124B, TYR168A, TYR168B, TYR180A, TYR180B, TYR183A, TYR183B, VAL157A, VAL157B, VAL178A, VAL178B, VAL187A, VAL187B, VAL63A, VAL63B
• A-C: ARG39A, ARG39C, ASP38A
• B-C: ALA51B, ALA51C, ARG100B, ARG100C, ARG104B, ARG104C, ARG140C, ARG143B, ARG143C, ARG34B, ARG34C, ASN106B, ASN106C, ASN30B, ASN30C, ASN54B, ASN54C, ASN97B, ASN97C, ASP103B, ASP103C, ASP105B, ASP105C, GLN141B, GLN141C, GLN145B, GLN50B, GLN50C, GLN96B, GLN96C, GLY108B, GLY108C, GLY142B, GLY142C, GLY55B, GLY55C, ILE43C, ILE92B, ILE92C, LEU28B, LEU28C, LEU48B, LEU48C, LEU52B, LEU52C, LYS37C, MET109B, MET109C, PHE148B, PHE27B, PHE27C, PHE32B, PHE32C, PHE60B, PHE85B, PHE85C, PHE99B, PHE99C, PRO59B, PRO59C, SER107B, SER107C, SER26B, SER53B, SER53C, THR101B, THR101C, THR56B, THR56C, THR58B, THR58C, THR93B, THR93C, TRP57B, TRP57C, TRP89B, TRP89C, TYR102B, TYR102C, VAL31B, VAL31C, VAL35B, VAL35C, VAL88C, VAL98B, VAL98C
• C-D: ARG125C, ARG125D, ARG136C, ARG160C, ARG160D, ARG166C, ARG166D, ARG167C, ASP128C, ASP128D, ASP163C, ASP163D, ASP169C, ASP169D, ASP173C, ASP173D, GLN129C, GLN129D, GLN153D, GLN159C, GLN159D, GLN177C, GLN177D, GLN182C, GLN182D, GLU181C, GLU181D, GLY123C, GLY174C, GLY174D, HIS131C, HIS131D, ILE133C, ILE133D, ILE164C, ILE164D, ILE176C, ILE176D, LEU119C, LEU119D, LEU126C, LEU126D, LEU134C, LEU134D, LEU158C, LEU158D, LEU161C, LEU161D, LEU184C, LEU184D, LYS137C, LYS137D, MET186C, MET186D, PHE130C, PHE130D, PHE138C, PHE138D, PHE165C, PHE165D, PHE188C, PHE188D, SER127C, SER127D, SER179C, SER179D, SER185C, SER185D, THR162C, THR162D, TRP175C, TRP175D, TYR124C, TYR124D, TYR168C, TYR168D, TYR180C, TYR180D, TYR183C, TYR183D, VAL157C, VAL157D, VAL178C, VAL178D, VAL187C, VAL187D, VAL63D
• D-E: ALA51D, ALA51E, ARG100D, ARG100E, ARG104D, ARG104E, ARG140D, ARG140E, ARG34D, ARG34E, ASN106D, ASN106E, ASN30E, ASN54D, ASN54E, ASN97D, ASN97E, ASP103D, ASP103E, ASP105D, ASP105E, ASP36E, ASP94D, GLN141D, GLN141E, GLN49E, GLN50D, GLN50E, GLN96D, GLN96E, GLU114D, GLU114E, GLU47E, GLY108D, GLY108E, GLY55D, GLY55E, ILE43E, ILE68D, ILE68E, ILE92D, ILE92E, LEU28D, LEU48D, LEU48E, LEU52D, LEU52E, LYS37D, LYS37E, LYS90D, LYS90E, MET109D, MET109E, PHE148D, PHE27D, PHE27E, PHE32D, PHE32E, PHE85D, PHE85E, PHE99D, PHE99E, PRO59D, PRO59E, SER107D, SER107E, SER53D, SER53E, THR101D, THR101E, THR56D, THR56E, THR58D, THR58E, THR93D, THR93E, TRP57D, TRP57E, TRP89D, TRP89E, TRP95D, TYR102D, TYR102E, TYR91D, TYR91E, VAL31D, VAL31E, VAL35D, VAL35E, VAL88D, VAL88E, VAL98D, VAL98E
• D-F: ASN30D, SER26D, THR46F
• D-G: ARG34D, ARG34G, ARG39D, ARG39G, ASP36D, ASP36G, ASP38D, ASP38G, GLN33D, GLN33G, GLY41D, LYS37D, LYS37G, SER40D, SER40G, VAL35D
• E-F: ARG125E, ARG125F, ARG136E, ARG136F, ARG140E, ARG160E, ARG160F, ARG166E, ARG166F, ARG66F, ASP128E, ASP128F, ASP132E, ASP132F, ASP139E, ASP163E, ASP163F, ASP169E, ASP169F, ASP173E, ASP173F, CYS155E, CYS155F, GLN129E, GLN129F, GLN153E, GLN153F, GLN159E, GLN159F, GLN177E, GLN177F, GLN182E, GLN182F, GLU181E, GLU181F, GLY123E, GLY154E, GLY154F, GLY174E, GLY174F, HIS131E, HIS131F, ILE133E, ILE133F, ILE135E, ILE135F, ILE156E, ILE156F, ILE164E, ILE164F, ILE176E, ILE176F, LEU119E, LEU126E, LEU126F, LEU134E, LEU134F, LEU158E, LEU158F, LEU161E, LEU161F, LEU184E, LEU184F, LYS137E, LYS137F, MET186E, MET186F, PHE130E, PHE130F, PHE138E, PHE138F, PHE165E, PHE165F, PHE188E, PHE188F, SER127E, SER127F, SER179E, SER179F, SER185E, SER185F, SER189E, THR162E, THR162F, TRP175E, TRP175F, TYR124E, TYR124F, TYR168E, TYR168F, TYR180E, TYR180F, TYR183E, TYR183F, VAL157E, VAL157F, VAL178E, VAL178F, VAL187E, VAL187F, VAL63F
• F-G: ALA51F, ALA51G, ARG100F, ARG100G, ARG104F, ARG104G, ARG143F, ARG143G, ARG34F, ARG34G, ASN106F, ASN106G, ASN30F, ASN30G, ASN54F, ASN54G, ASN97F, ASN97G, ASP103F, ASP103G, ASP105F, ASP105G, GLN141F, GLN141G, GLN50F, GLN50G, GLN96F, GLN96G, GLU47F, GLU47G, GLY108F, GLY108G, GLY55F, GLY55G, ILE43F, ILE43G, ILE92F, ILE92G, LEU28F, LEU28G, LEU48F, LEU48G, LEU52F, LEU52G, LYS37F, LYS37G, LYS90F, LYS90G, MET109F, MET109G, PHE148G, PHE27F, PHE27G, PHE32F, PHE32G, PHE85F, PHE85G, PHE99F, PHE99G, PRO59F, PRO59G, SER107F, SER107G, SER26G, SER53F, SER53G, THR101F, THR101G, THR56F, THR56G, THR58F, THR58G, THR93F, THR93G, TRP57F, TRP57G, TRP89F, TRP89G, TYR102F, TYR102G, TYR91G, VAL31F, VAL31G, VAL35F, VAL35G, VAL88F, VAL88G, VAL98F, VAL98G
• G-H: ARG125G, ARG125H, ARG136G, ARG136H, ARG160G, ARG166G, ASP128G, ASP128H, ASP132G, ASP163G, ASP169G, ASP169H, ASP173G, ASP173H, GLN129G, GLN129H, GLN177G, GLN177H, GLN182G, GLN182H, GLU181G, GLU181H, GLY174G, GLY174H, HIS131G, HIS131H, ILE133G, ILE133H, ILE135G, ILE164G, ILE176G, ILE176H, LEU126G, LEU126H, LEU134G, LEU134H, LEU158G, LEU158H, LEU161G, LEU161H, LEU184G, LEU184H, LYS137G, LYS137H, MET186G, MET186H, PHE130G, PHE130H, PHE138G, PHE165G, PHE165H, PHE188G, PHE188H, SER127G, SER127H, SER179G, SER179H, SER185G, SER185H, THR162G, THR162H, TRP175G, TRP175H, TYR124G, TYR124H, TYR168H, TYR180G, TYR180H, TYR183G, TYR183H, VAL157G, VAL178G, VAL178H, VAL187G, VAL187H