1QX5

crystal structure of apocalmodulin

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: I-R
  • Int. Res.: 168
  • Norm. En. per Res.: -6.5516
• Hub Node: D(5)

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
D-I	-8.4664	42.9575	-37.552	-3.0609	39	3	0	2188	1	16	36
D-J	0.0	17.6057	-2.3027	15.303	15	0	0	256	0	1	16
D-T	0.0	21.0437	-26.7438	-5.7001	18	0	0	984	0	8	8
D-R	-5.6228	0.0	-45.9513	-51.5741	39	6	0	2202	0	18	19
D-Y	-172.8339	-178.8368	-735.102	-1086.7727	172	33	36	30245	11	90	81
I-B	0.0	0.0	-40.9485	-40.9485	38	1	0	1867	0	12	13
I-K	-4.3365	33.2921	-47.1392	-18.1837	39	0	0	2126	3	17	38
I-R	-166.7031	-183.6478	-750.317	-1100.6679	168	43	38	31003	14	88	82
I-Y	0.0	18.3227	-1.5367	16.786	6	0	0	96	0	0	3
B-J	0.0	39.8427	-37.1639	2.6788	34	3	0	1732	1	18	37
B-K	-127.9745	-150.2016	-725.031	-1003.2071	172	58	33	30611	10	84	83
B-T	0.0	18.4196	-1.3699	17.0497	6	0	0	84	0	0	3
B-R	-9.4972	69.8097	-43.0582	17.2543	35	1	0	1969	1	20	36
J-K	-7.5232	0.0	-47.4449	-54.9681	38	0	0	1821	0	13	13
J-T	-136.4649	-151.7059	-770.633	-1058.8037	170	43	32	30942	10	84	79
J-Y	0.0	0.0	-2.3999	-2.3999	11	0	0	178	0	5	5
K-T	0.0	38.7496	-40.9797	-2.2301	36	1	0	1859	0	17	33
K-R	0.0	16.9316	-1.4008	15.5308	10	0	0	105	0	0	1
T-Y	0.0	0.0	-8.7431	-8.7431	6	0	0	255	0	0	1
R-Y	0.0	55.6036	-29.3776	26.226	33	5	0	1665	1	13	27

Interface residues

• D-I: ALA128I, ALA46D, ARG86D, ARG90D, ASN137I, ASN42D, ASN53D, ASP129I, ASP131I, ASP133I, ASP50D, ASP78D, ASP80D, GLN135I, GLN143I, GLN49D, GLU139I, GLU140I, GLU31I, GLU45D, GLU47D, GLU82D, GLU83D, GLU87D, GLY132I, GLY134I, GLY96D, GLY98D, ILE130I, LEU48D, LYS30I, LYS75D, PRO43D, THR28I, THR44D, THR79D, TYR138I, VAL136I, VAL142I
• D-J: ASN137D, ASN137J, ASP129D, ASP129J, ASP131J, ASP133J, GLN135J, GLN143D, GLU139D, GLU139J, GLU140D, GLY132J, TYR138D, TYR138J, VAL136J
• D-T: ALA128D, ASN137D, ASN97T, ASP129D, ASP131D, ASP133D, ASP93T, ASP95T, GLN135D, GLU139D, GLU140D, GLY132D, GLY96T, GLY98T, ILE130D, TYR138D, TYR99T, VAL136D
• D-R: ARG37D, ARG86D, ARG86R, ARG90D, ARG90R, ASN42D, ASN42R, ASN97D, ASN97R, ASP93D, ASP93R, ASP95D, ASP95R, GLN41D, GLN41R, GLU45D, GLU45R, GLU47D, GLU47R, GLU82D, GLU82R, GLU83D, GLU83R, GLU87D, GLU87R, GLY96D, GLY96R, GLY98D, GLY98R, ILE100R, LYS94D, LYS94R, PRO43D, PRO43R, THR44D, THR44R, THR79D, TYR99D, TYR99R
• D-Y: ALA102D, ALA102Y, ALA103D, ALA103Y, ALA10D, ALA10Y, ALA128D, ALA128Y, ALA15D, ALA15Y, ALA88D, ALA88Y, ARG106D, ARG106Y, ARG126D, ARG126Y, ARG37D, ARG37Y, ARG86D, ARG86Y, ARG90D, ARG90Y, ASN111D, ASN111Y, ASN137D, ASN137Y, ASN42D, ASN42Y, ASN97D, ASN97Y, ASP118D, ASP118Y, ASP122D, ASP122Y, ASP129D, ASP129Y, ASP131D, ASP131Y, ASP133D, ASP133Y, ASP80D, ASP80Y, ASP93D, ASP93Y, ASP95D, ASP95Y, GLN135D, GLN135Y, GLN143D, GLN143Y, GLN41D, GLN41Y, GLU104D, GLU104Y, GLU114D, GLU114Y, GLU119D, GLU119Y, GLU11D, GLU11Y, GLU120D, GLU120Y, GLU123D, GLU139D, GLU139Y, GLU140D, GLU140Y, GLU14D, GLU14Y, GLU31D, GLU31Y, GLU7Y, GLU82D, GLU82Y, GLU83D, GLU83Y, GLU84D, GLU84Y, GLU87D, GLU87Y, GLY113D, GLY113Y, GLY134D, GLY134Y, GLY33D, GLY33Y, GLY40D, GLY40Y, GLY96D, GLY96Y, GLY98D, GLY98Y, HIS107D, HIS107Y, ILE100D, ILE100Y, ILE125D, ILE125Y, ILE130D, ILE130Y, ILE85D, ILE85Y, LEU105D, LEU105Y, LEU112D, LEU112Y, LEU116D, LEU116Y, LEU18D, LEU18Y, LEU39D, LEU39Y, LYS115D, LYS115Y, LYS13D, LYS13Y, LYS94D, LYS94Y, MET109D, MET109Y, MET124D, MET124Y, MET144D, MET144Y, MET145D, MET145Y, MET36D, MET36Y, PHE12D, PHE12Y, PHE141D, PHE141Y, PHE16D, PHE16Y, PHE19D, PHE19Y, PHE89D, PHE89Y, PHE92D, PHE92Y, SER101D, SER101Y, SER17D, SER17Y, SER38D, SER38Y, SER81D, SER81Y, THR110D, THR110Y, THR117D, THR117Y, THR146D, THR146Y, THR34D, THR34Y, TYR138D, TYR138Y, TYR99D, TYR99Y, VAL108D, VAL108Y, VAL121D, VAL121Y, VAL136D, VAL136Y, VAL142D, VAL142Y, VAL35D, VAL35Y, VAL91D, VAL91Y
• I-B: ARG86B, ARG86I, ARG90B, ARG90I, ASN42B, ASN42I, ASN97B, ASN97I, ASP93B, ASP93I, ASP95B, ASP95I, GLN41B, GLN41I, GLU45B, GLU45I, GLU47B, GLU47I, GLU82B, GLU82I, GLU83B, GLU83I, GLU87B, GLU87I, GLY96B, GLY96I, GLY98B, GLY98I, ILE100B, ILE100I, LYS75B, LYS94B, PRO43B, PRO43I, THR44B, THR44I, TYR99B, TYR99I
• I-K: ALA46I, ARG86I, ARG90I, ASN137K, ASN42I, ASN53I, ASN97I, ASP129K, ASP131K, ASP133K, ASP50I, ASP78I, ASP80I, GLN135K, GLN143K, GLN49I, GLU139K, GLU140K, GLU31K, GLU45I, GLU47I, GLU82I, GLU83I, GLU87I, GLY132K, GLY134K, GLY96I, GLY98I, ILE130K, LEU48I, LYS21K, LYS30K, PRO43I, THR146K, THR28K, THR44I, TYR138K, VAL136K, VAL142K
• I-R: ALA102I, ALA102R, ALA103I, ALA103R, ALA10I, ALA10R, ALA128I, ALA128R, ALA15I, ALA15R, ALA88I, ALA88R, ARG106I, ARG106R, ARG126I, ARG126R, ARG37I, ARG37R, ARG86I, ARG86R, ARG90I, ARG90R, ASN111I, ASN111R, ASN137I, ASN137R, ASN42I, ASN97I, ASN97R, ASP118I, ASP118R, ASP122I, ASP122R, ASP129I, ASP129R, ASP131I, ASP131R, ASP133I, ASP133R, ASP80I, ASP80R, ASP93I, ASP93R, ASP95I, ASP95R, GLN135I, GLN135R, GLN143I, GLN143R, GLN41I, GLN41R, GLU104I, GLU104R, GLU114I, GLU114R, GLU119I, GLU119R, GLU11I, GLU11R, GLU120I, GLU120R, GLU139I, GLU139R, GLU140I, GLU140R, GLU14I, GLU14R, GLU31R, GLU82I, GLU82R, GLU83I, GLU83R, GLU84I, GLU84R, GLU87I, GLU87R, GLY113I, GLY113R, GLY134I, GLY134R, GLY33I, GLY33R, GLY40I, GLY40R, GLY96I, GLY96R, GLY98I, GLY98R, HIS107I, HIS107R, ILE100I, ILE100R, ILE125I, ILE125R, ILE130I, ILE130R, ILE85I, ILE85R, LEU105I, LEU105R, LEU112I, LEU112R, LEU116I, LEU116R, LEU18I, LEU18R, LEU39I, LEU39R, LYS115I, LYS115R, LYS13I, LYS13R, LYS94I, LYS94R, MET109I, MET109R, MET124I, MET124R, MET144I, MET144R, MET145I, MET145R, MET36I, MET36R, MET76R, PHE12I, PHE12R, PHE141I, PHE141R, PHE16I, PHE16R, PHE19I, PHE19R, PHE89I, PHE89R, PHE92I, PHE92R, SER101I, SER101R, SER17I, SER38I, SER38R, SER81I, SER81R, THR110I, THR110R, THR117I, THR117R, THR146I, THR146R, THR34I, THR34R, TYR138I, TYR138R, TYR99I, TYR99R, VAL108I, VAL108R, VAL121I, VAL121R, VAL136I, VAL136R, VAL142I, VAL142R, VAL35I, VAL35R, VAL91I, VAL91R
• I-Y: GLU139I, GLU139Y, TYR138I, TYR138Y, VAL142I, VAL142Y
• B-J: ALA46J, ARG86J, ARG90J, ASN137B, ASN42J, ASP129B, ASP131B, ASP133B, ASP50J, ASP78J, ASP80J, GLN135B, GLN143B, GLN49J, GLU139B, GLU140B, GLU45J, GLU47J, GLU82J, GLU83J, GLU87J, GLY132B, GLY134B, GLY96J, GLY98J, ILE130B, LEU48J, LYS21B, LYS30B, LYS75J, THR44J, TYR138B, VAL136B, VAL142B
• B-K: ALA102B, ALA102K, ALA103B, ALA103K, ALA10B, ALA10K, ALA128B, ALA128K, ALA15B, ALA15K, ALA88B, ALA88K, ARG106B, ARG106K, ARG126B, ARG126K, ARG37B, ARG37K, ARG86B, ARG86K, ARG90B, ARG90K, ASN111B, ASN111K, ASN137B, ASN137K, ASN42B, ASN97B, ASN97K, ASP118B, ASP118K, ASP122B, ASP122K, ASP129B, ASP129K, ASP131B, ASP131K, ASP133B, ASP133K, ASP80B, ASP80K, ASP93B, ASP93K, ASP95B, ASP95K, GLN135B, GLN135K, GLN143B, GLN143K, GLN41B, GLN41K, GLU104B, GLU104K, GLU114B, GLU114K, GLU119B, GLU119K, GLU11B, GLU11K, GLU120B, GLU120K, GLU123B, GLU123K, GLU139B, GLU139K, GLU140B, GLU140K, GLU14B, GLU14K, GLU31B, GLU31K, GLU82B, GLU82K, GLU83B, GLU83K, GLU84B, GLU84K, GLU87B, GLU87K, GLY113B, GLY113K, GLY134B, GLY134K, GLY33B, GLY33K, GLY40B, GLY40K, GLY96B, GLY96K, GLY98B, GLY98K, HIS107B, HIS107K, ILE100B, ILE100K, ILE125B, ILE125K, ILE130B, ILE130K, ILE85B, ILE85K, LEU105B, LEU105K, LEU112B, LEU112K, LEU116B, LEU116K, LEU18B, LEU18K, LEU39B, LEU39K, LYS115B, LYS115K, LYS13B, LYS13K, LYS94B, LYS94K, MET109B, MET109K, MET124B, MET124K, MET144B, MET144K, MET145B, MET145K, MET36B, MET36K, PHE12B, PHE12K, PHE141B, PHE141K, PHE16B, PHE16K, PHE19B, PHE19K, PHE89B, PHE89K, PHE92B, PHE92K, SER101B, SER101K, SER17B, SER17K, SER38B, SER38K, SER81B, SER81K, THR110B, THR110K, THR117B, THR117K, THR146B, THR146K, THR34B, THR34K, THR79K, TYR138B, TYR138K, TYR99B, TYR99K, VAL108B, VAL108K, VAL121B, VAL121K, VAL136B, VAL136K, VAL142B, VAL142K, VAL35B, VAL35K, VAL91B, VAL91K
• B-T: GLU139B, GLU139T, TYR138B, TYR138T, VAL142B, VAL142T
• B-R: ALA46B, ARG86B, ARG90B, ASN137R, ASN42B, ASP129R, ASP131R, ASP133R, ASP50B, ASP78B, ASP80B, GLN135R, GLN143R, GLN49B, GLU139R, GLU140R, GLU45B, GLU47B, GLU82B, GLU83B, GLU87B, GLY132R, GLY134R, GLY96B, GLY98B, ILE130R, LEU48B, LYS30R, LYS75B, MET51B, PRO43B, THR44B, TYR138R, VAL136R, VAL142R
• J-K: ARG86J, ARG86K, ARG90J, ARG90K, ASN42J, ASN42K, ASN97J, ASN97K, ASP93J, ASP93K, ASP95J, ASP95K, GLN41J, GLN41K, GLU45J, GLU45K, GLU47J, GLU47K, GLU82J, GLU82K, GLU83J, GLU83K, GLU87J, GLU87K, GLY96J, GLY96K, GLY98J, GLY98K, ILE100J, ILE100K, LYS75J, LYS94J, PRO43J, PRO43K, THR44J, THR44K, TYR99J, TYR99K
• J-T: ALA102J, ALA102T, ALA103J, ALA103T, ALA10J, ALA10T, ALA128J, ALA128T, ALA15J, ALA15T, ALA88J, ALA88T, ARG106J, ARG106T, ARG126J, ARG126T, ARG37J, ARG37T, ARG86J, ARG86T, ARG90J, ARG90T, ASN111J, ASN111T, ASN137J, ASN137T, ASN42T, ASN97J, ASN97T, ASP118J, ASP118T, ASP122J, ASP122T, ASP129J, ASP129T, ASP131J, ASP131T, ASP133J, ASP133T, ASP80J, ASP80T, ASP93J, ASP93T, ASP95J, ASP95T, GLN135J, GLN135T, GLN143J, GLN143T, GLN41J, GLN41T, GLU104J, GLU104T, GLU114J, GLU114T, GLU119J, GLU119T, GLU11J, GLU11T, GLU120J, GLU120T, GLU123J, GLU123T, GLU139J, GLU139T, GLU140J, GLU140T, GLU14J, GLU14T, GLU31J, GLU31T, GLU82J, GLU82T, GLU83J, GLU83T, GLU84J, GLU84T, GLU87J, GLU87T, GLY113J, GLY113T, GLY134J, GLY134T, GLY33J, GLY33T, GLY40J, GLY40T, GLY96J, GLY96T, GLY98J, GLY98T, HIS107J, HIS107T, ILE100J, ILE100T, ILE125J, ILE125T, ILE130J, ILE130T, ILE85J, ILE85T, LEU105J, LEU105T, LEU112J, LEU112T, LEU116J, LEU116T, LEU18J, LEU18T, LEU39J, LEU39T, LYS115J, LYS115T, LYS13J, LYS13T, LYS94J, LYS94T, MET109J, MET109T, MET124J, MET124T, MET144J, MET144T, MET145J, MET145T, MET36J, MET36T, PHE12J, PHE12T, PHE141J, PHE141T, PHE16J, PHE16T, PHE19J, PHE19T, PHE89J, PHE89T, PHE92J, PHE92T, SER101J, SER101T, SER17J, SER38J, SER38T, SER81J, SER81T, THR110J, THR110T, THR117J, THR117T, THR146J, THR146T, THR34J, THR34T, TYR138J, TYR138T, TYR99J, TYR99T, VAL108J, VAL108T, VAL121J, VAL121T, VAL136J, VAL136T, VAL142J, VAL142T, VAL35J, VAL35T, VAL91J, VAL91T
• J-Y: ARG90Y, ASN137J, ASN97Y, ASP131J, ASP133J, GLN135J, GLY96Y, GLY98Y, LYS30J, TYR99Y, VAL136J
• K-T: ALA46K, ARG86K, ARG90K, ASN137T, ASN42K, ASP129T, ASP131T, ASP133T, ASP50K, ASP78K, ASP80K, GLN135T, GLN143T, GLN49K, GLU139T, GLU140T, GLU45K, GLU47K, GLU82K, GLU83K, GLU87K, GLY132T, GLY134T, GLY96K, GLY98K, ILE130T, LEU48K, LYS21T, LYS30T, LYS75K, PRO43K, THR28T, THR44K, TYR138T, VAL136T, VAL142T
• K-R: GLN143K, GLN143R, GLU139K, GLU139R, THR146K, THR146R, TYR138K, TYR138R, VAL142K, VAL142R
• T-Y: ASN97T, ASP95T, GLY98T, ILE100T, TYR99T, TYR99Y
• R-Y: ALA46R, ARG86R, ARG90R, ASN137Y, ASN42R, ASP129Y, ASP131Y, ASP133Y, ASP50R, ASP78R, ASP80R, GLN135Y, GLN143Y, GLN49R, GLU139Y, GLU140Y, GLU45R, GLU47R, GLU82R, GLU83R, GLU87R, GLY132Y, GLY134Y, GLY96R, GLY98R, ILE130Y, LEU48R, LYS30Y, PRO43R, THR44R, TYR138Y, VAL136Y, VAL142Y