3NIM

the structure of ubr box (rraa)

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: F-X
  • Int. Res.: 40
  • Norm. En. per Res.: -6.2151
• 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	-62.8449	-9.2431	-103.57	-175.658	55	10	0	4271	2	26	13
A-D	-14.9875	20.2827	-61.1586	-55.8634	28	1	0	2051	1	21	11
A-F	-36.3727	2.9437	-103.941	-137.37	54	8	1	4400	0	25	47
A-X	0.0	0.0	-0.1198	-0.1198	3	0	0	42	0	3	1
B-D	-46.9485	-25.1976	-90.9727	-163.1188	49	7	0	3469	2	18	10
B-F	0.0	5.8065	-12.2478	-6.4413	19	0	0	527	0	6	8
B-X	-4.6738	-1.0947	-24.2068	-29.9753	13	3	0	706	0	3	6
D-F	-2.2127	-36.3633	-34.9324	-73.5084	24	1	0	1360	3	9	5
F-X	-53.5948	-82.6172	-112.393	-248.605	40	13	1	4245	4	14	8

Interface residues

• A-B: ALA182A, ALA191B, ARG125A, ARG125B, ARG135A, ASN122A, ASP142A, ASP143A, ASP165A, ASP176A, ASP179A, CYS123A, CYS141A, CYS145A, CYS148B, CYS151B, CYS167A, CYS175A, CYS177A, GLU131B, GLU169A, GLU192B, GLY113B, GLY124A, GLY130B, GLY173A, HIS116B, HIS118B, HIS137A, HIS150B, ILE129B, ILE149B, ILE166A, ILE174A, LEU133A, LEU147A, LYS117B, LYS126A, LYS128B, LYS190B, PHE127A, PHE152B, PHE170A, PRO132B, SER114B, SER172A, THR119B, THR144A, THR168A, THR171A, TRP183A, TYR134A, TYR134B, VAL115B, VAL146A
• A-D: ALA182A, ASN153D, ASN159D, ASN184A, ASP142A, ASP143A, ASP156D, ASP179A, CYS139A, CYS141A, CYS145A, GLN194D, GLU138A, GLU180A, GLU181A, GLU192D, GLU193D, GLY140A, HIS137A, HIS157D, LYS155D, LYS190D, PHE152D, PRO154D, PRO186A, SER185A, TRP183A, VAL158D
• A-F: ALA182A, ALA182F, ARG121A, ARG121F, ARG125A, ARG125F, ASN122A, ASN122F, ASP176A, ASP176F, ASP179A, ASP179F, CYS123A, CYS123F, CYS148A, CYS148F, CYS151A, CYS151F, CYS175A, CYS175F, CYS177F, GLU169F, GLU180A, GLU180F, GLU181A, GLU181F, GLY120A, GLY120F, GLY124A, GLY124F, GLY173A, GLY173F, GLY178A, GLY178F, HIS116A, HIS116F, HIS118A, HIS118F, HIS150A, HIS150F, ILE174A, ILE174F, LYS117A, LYS117F, LYS126A, LYS126F, LYS128A, LYS128F, PHE127A, PHE127F, SER172F, THR119A, THR119F, VAL115F
• A-X: ARG1X, ILE174A, LYS126A
• B-D: ARG135B, ARG135D, ASN159B, ASN159D, ASP165B, ASP165D, CYS136B, CYS136D, CYS163B, CYS163D, CYS167B, CYS167D, GLU131B, GLU131D, GLU138B, GLU138D, GLY130B, GLY130D, HIS137B, HIS137D, HIS157B, HIS157D, HIS160B, HIS160D, HIS161B, HIS161D, ILE149B, ILE149D, ILE166B, ILE166D, LEU133B, LEU133D, PHE152B, PHE152D, PRO132B, PRO132D, PRO154B, PRO154D, THR164B, THR164D, THR168B, THR168D, THR171B, TYR134B, TYR134D, VAL158B, VAL158D, VAL162B, VAL162D
• B-F: ALA182F, ASP142F, ASP143F, ASP176F, ASP179F, CYS141F, CYS145F, GLN194B, GLU181F, GLU192B, GLU193B, GLY113B, ILE174F, LYS117B, LYS155B, PHE170F, SER172F, THR144F, THR171F
• B-X: ALA3X, ALA4X, ARG1X, ARG2X, ASN153B, GLN194B, GLU192B, GLU193B, LYS117B, LYS155B, LYS190B, PRO154B, VAL158B
• D-F: ALA191D, ARG125D, CYS148D, CYS151D, CYS167F, CYS189D, GLN194D, GLU169F, GLU193D, HIS116D, HIS150D, ILE129F, ILE149D, LYS117D, LYS126F, LYS128F, LYS190D, PHE152D, PHE170F, PRO132D, SER172F, THR168F, TYR134D, VAL115D
• F-X: ALA182F, ALA3X, ALA4X, ARG125F, ARG135F, ARG1X, ARG2X, ASN122F, ASP142F, ASP143F, ASP165F, ASP176F, ASP179F, CYS136F, CYS141F, CYS145F, CYS163F, CYS167F, CYS175F, CYS177F, GLU169F, GLU180F, GLU181F, GLY124F, GLY173F, ILE166F, ILE174F, LEU133F, LEU147F, LYS126F, PHE127F, PHE170F, SER172F, THR144F, THR164F, THR168F, THR171F, TRP183F, TYR134F, VAL146F