3KL8

camkiintide inhibitor complex

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-H
  • Int. Res.: 87
  • Norm. En. per Res.: -5.7642
• Hub Node: A(4)

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	-8.2981	-8.2981	5	4	0	265	0	2	4
A-C	-12.4973	-18.8393	-24.8936	-56.2302	36	15	0	1682	1	17	18
A-F	0.0	-3.242	-22.4658	-25.7078	27	5	0	1302	0	6	10
A-G	-5.5519	-12.9117	-5.5034	-23.967	27	3	0	564	2	16	10
B-F	0.0	0.0	-0.0175	-0.0175	5	0	0	18	0	0	4
C-D	0.0	0.0	5.1164	5.1164	5	4	0	238	0	2	3
C-F	0.0	0.0	-0.054	-0.054	3	0	0	24	0	0	2
C-G	-10.1268	-9.2029	-93.7833	-113.113	68	5	2	4385	0	36	25
C-H	-68.1955	-160.8884	-272.403	-501.4869	87	23	7	11482	10	30	10
E-F	0.0	0.0	-0.572	-0.572	5	0	0	68	0	2	3
E-G	0.0	-3.6295	-90.7156	-94.3451	64	6	2	4142	0	35	27
E-I	-4.5351	-9.0807	-17.2283	-30.8441	38	1	0	803	2	17	13
F-G	-67.817	-146.6064	-274.409	-488.8324	88	26	8	12029	11	29	9
G-H	0.0	0.0	-3.1524	-3.1524	4	0	0	160	0	2	3
G-I	0.0	-12.7409	-32.8177	-45.5586	37	5	0	1695	0	17	15

Interface residues

• A-B: ARG273A, ARG282B, GLU274A, LYS281B, PRO283B
• A-C: ALA168A, ALA261C, ALA264C, ARG59A, ARG62A, ARG65A, ASN129A, ASN164A, ASN164C, ASP165A, ASP165C, ASP262C, GLN263C, GLU162A, GLU167A, GLU167C, GLU58A, GLY130A, HIS127A, HIS170A, ILE259C, LEU265C, LYS191A, LYS256C, LYS257C, LYS266C, LYS66A, PRO188A, SER128A, SER166A, SER166C, THR260C, TRP169A, TYR125A, VAL163A, VAL267C
• A-F: ARG273A, ARG291F, ARG65A, ARG74A, ASN129A, ASN71A, ASP262A, CYS271A, GLN288F, GLN68A, GLU121A, GLY287F, GLY290F, HIS69A, ILE289F, ILE72A, LEU265A, LEU286F, LEU67A, LYS266A, LYS285F, LYS293F, LYS66A, PRO284F, PRO70A, SER128A, TYR125A
• A-G: ALA103G, ALA124A, ARG104G, ARG74A, ASN129A, ASP262A, GLN263A, GLU105G, GLU18G, GLU215G, GLU96G, GLU99G, GLY94G, GLY95G, LEU142G, LEU265A, LYS146G, LYS266A, PHE98G, PRO268A, PRO70A, SER128A, THR93G, TRP213G, TYR125A, VAL102G, VAL26G
• B-F: ARG282B, ILE297F, LYS281B, LYS293F, VAL296F
• C-D: ARG273C, ARG282D, GLU274C, LYS281D, PRO283D
• C-F: ASN254C, LYS256C, LYS285F
• C-G: ALA103G, ALA110G, ALA112G, ALA147G, ALA222C, ALA226C, ALA228C, ARG104G, ARG219C, ARG258C, ARG273G, ASN254C, ASN272G, ASP100G, ASP111G, ASP187C, ASP230C, ASP237G, ASP248C, GLN223C, GLU105G, GLU109G, GLU182C, GLU235G, GLU274G, GLY149G, GLY227C, HIS114G, ILE101G, ILE224C, ILE247C, LEU184C, LEU206G, LEU251C, LYS146G, LYS148G, LYS185C, LYS186C, LYS225C, LYS244C, LYS256C, LYS257C, MET250C, PHE106G, PHE212C, PRO181C, PRO188C, PRO232C, PRO234G, PRO241C, PRO241G, PRO255C, SER108G, SER113G, SER245C, SER249C, THR238G, THR240G, THR252C, TRP196C, TRP236G, TRP269G, TYR107G, TYR229C, TYR231C, VAL102G, VAL239G, VAL253C
• C-H: ALA103C, ALA155C, ALA160C, ALA173C, ALA228C, ARG104C, ARG134C, ARG282H, ARG291H, ARG294H, ARG59C, ASN135C, ASN140C, ASP100C, ASP156C, ASP214C, ASP230C, GLN217C, GLN223C, GLN288H, GLU105C, GLU139C, GLU215C, GLU235C, GLU60C, GLU96C, GLU99C, GLY158C, GLY171C, GLY174C, GLY177C, GLY208C, GLY287H, GLY290H, HIS133C, HIS170C, ILE101C, ILE201C, ILE204C, ILE289H, ILE297H, LEU142C, LEU159C, LEU179C, LEU184C, LEU205C, LEU206C, LEU220C, LEU286H, LEU97C, LYS137C, LYS186C, LYS281H, LYS285H, LYS293H, LYS56C, PHE106C, PHE157C, PHE172C, PHE212C, PHE98C, PRO138C, PRO176C, PRO210C, PRO211C, PRO232C, PRO234C, PRO283H, PRO284H, SER233C, SER292H, THR175C, TRP169C, TRP213C, TRP236C, TYR178C, TYR203C, TYR209C, TYR221C, TYR229C, TYR231C, VAL102C, VAL183C, VAL200C, VAL207C, VAL295H, VAL296H
• E-F: ARG273E, ARG282F, GLU274E, LYS281F, PRO283F
• E-G: ALA103E, ALA110E, ALA112E, ALA147E, ALA222G, ALA226G, ALA228G, ARG104E, ARG219G, ARG258G, ARG273E, ASN254G, ASN272E, ASP100E, ASP111E, ASP187G, ASP230G, ASP237E, ASP248G, GLN223G, GLU105E, GLU109E, GLU182G, GLU235E, GLU274E, GLY149E, GLY227G, ILE101E, ILE224G, ILE247G, LEU184G, LEU206E, LEU251G, LYS146E, LYS148E, LYS185G, LYS186G, LYS225G, LYS244G, LYS256G, LYS257G, MET250G, PHE106E, PRO181G, PRO188G, PRO234E, PRO241G, PRO255G, SER108E, SER113E, SER245G, SER249G, THR238E, THR240E, THR252G, TRP196G, TRP236E, TRP269E, TYR107E, TYR229G, TYR231G, VAL102E, VAL239E, VAL253G
• E-I: ALA103E, ALA124I, ALA261I, ARG104E, ARG74I, ASN129I, ASP100E, ASP262I, GLN263I, GLU105E, GLU121I, GLU139E, GLU18E, GLU215E, GLU242I, GLU96E, GLU99E, GLY94E, GLY95E, LEU142E, LEU143E, LEU265I, LEU97E, LYS146E, LYS266I, PHE98E, PRO268I, PRO70I, SER128I, SER245I, SER25E, THR93E, TRP213E, TYR125I, VAL102E, VAL267I, VAL26E, VAL27E
• F-G: ALA103G, ALA155G, ALA160G, ALA173G, ALA228G, ARG104G, ARG134G, ARG282F, ARG291F, ARG294F, ARG59G, ASN135G, ASN140G, ASP100G, ASP156G, ASP214G, ASP230G, ASP237G, GLN217G, GLN223G, GLN288F, GLU105G, GLU139G, GLU215G, GLU235G, GLU60G, GLU96G, GLU99G, GLY158G, GLY171G, GLY174G, GLY177G, GLY208G, GLY287F, GLY290F, HIS133G, HIS170G, ILE101G, ILE201G, ILE204G, ILE289F, ILE297F, LEU142G, LEU159G, LEU179G, LEU184G, LEU205G, LEU206G, LEU251G, LEU286F, LEU97G, LYS137G, LYS186G, LYS281F, LYS285F, LYS293F, LYS56G, PHE106G, PHE157G, PHE172G, PHE212G, PHE98G, PRO138G, PRO176G, PRO210G, PRO211G, PRO232G, PRO234G, PRO283F, PRO284F, SER233G, SER292F, THR175G, TRP169G, TRP213G, TRP236G, TYR178G, TYR203G, TYR209G, TYR221G, TYR229G, TYR231G, VAL102G, VAL183G, VAL200G, VAL207G, VAL295F, VAL296F
• G-H: ARG273G, ARG282H, GLU274G, LYS281H
• G-I: ALA168I, ALA261G, ALA264G, ARG62I, ARG65I, ASN129I, ASN164I, ASP165G, ASP165I, ASP262G, CYS271G, GLN263G, GLU162I, GLU167G, GLU167I, GLU58I, GLY130I, HIS127I, HIS170I, ILE259G, LEU265G, LYS191G, LYS256G, LYS256I, LYS257G, LYS266G, LYS66I, PRO188I, PRO268G, SER128I, SER166G, SER166I, THR260G, TRP169I, TYR125I, VAL163I, VAL267G