3NIK

the structure of ubr box (reaa)

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-X
  • Int. Res.: 34
  • Norm. En. per Res.: -6.3644
• 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	-78.4015	-4.8531	-114.832	-198.0866	57	10	0	4666	1	28	12
A-D	-55.0013	-8.3303	-110.236	-173.5676	59	8	1	4789	3	25	47
A-F	0.0	14.1602	-59.9744	-45.8142	33	1	0	2370	0	22	12
A-X	0.0	0.0	-0.5088	-0.5088	3	0	0	85	0	2	3
B-D	0.0	0.0	-6.8826	-6.8826	17	0	0	449	0	5	8
B-F	-49.7405	-24.244	-117.267	-191.2515	50	7	0	3620	2	17	10
B-X	-21.3412	3.5817	-29.2569	-47.0165	9	2	0	740	0	4	6
D-F	0.0	-39.036	-27.0327	-66.0687	24	4	0	1351	4	9	7
D-X	-39.0702	-74.9182	-102.4	-216.3884	34	7	1	3489	4	11	10

Interface residues

• A-B: ALA182A, ALA191B, ARG121B, ARG125A, ARG125B, ARG135A, ASN122A, ASP142A, ASP143A, ASP165A, ASP176A, ASP179A, CYS141A, CYS145A, CYS148B, CYS151B, CYS167A, CYS175A, CYS177A, GLN194B, GLU131B, GLU169A, GLU192B, GLY113B, GLY124A, GLY130B, GLY173A, HIS116B, HIS118B, HIS137A, HIS150B, ILE129B, ILE149B, ILE166A, ILE166B, 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, ALA182D, ARG121A, ARG121D, ARG125A, ARG125D, ASN122A, ASN122D, ASP176A, ASP176D, ASP179A, ASP179D, CYS123A, CYS123D, CYS148A, CYS148D, CYS151A, CYS151D, CYS175A, CYS175D, GLU169A, GLU169D, GLU180A, GLU180D, GLU181A, GLU181D, GLY120A, GLY120D, GLY124A, GLY124D, GLY173A, GLY173D, GLY178A, GLY178D, HIS116A, HIS116D, HIS118A, HIS118D, HIS150A, HIS150D, ILE129D, ILE174A, ILE174D, LYS117A, LYS117D, LYS126A, LYS126D, LYS128A, LYS128D, PHE127A, PHE127D, SER114D, SER172A, SER172D, THR119A, THR119D, THR171D, VAL115A, VAL115D
• A-F: ALA182A, ALA191F, ASN153F, ASN159F, ASN184A, ASP142A, ASP143A, ASP156F, ASP179A, CYS136A, CYS139A, CYS141A, CYS145A, CYS189F, GLN194F, GLU138A, GLU180A, GLU181A, GLU192F, GLU193F, GLY140A, GLY178A, HIS137A, HIS157F, HIS188F, LYS155F, LYS190F, PHE152F, PRO154F, PRO186A, SER185A, TRP183A, VAL158F
• A-X: ARG1X, ILE174A, LYS126A
• B-D: ALA182D, ASP142D, ASP176D, ASP179D, CYS141D, CYS145D, GLN194B, GLU181D, GLU192B, GLU193B, GLY113B, ILE174D, LYS126D, LYS155B, LYS190B, SER172D, THR144D
• B-F: ARG135B, ARG135F, ASN159B, ASN159F, ASP165B, ASP165F, CYS136B, CYS136F, CYS163B, CYS163F, CYS167B, CYS167F, GLU131B, GLU131F, GLU138B, GLU138F, GLY130B, GLY130F, HIS137B, HIS137F, HIS157B, HIS157F, HIS160B, HIS160F, HIS161B, HIS161F, ILE129B, ILE149B, ILE149F, ILE166B, ILE166F, LEU133B, LEU133F, PHE152B, PHE152F, PRO132B, PRO132F, PRO154B, PRO154F, THR164B, THR164F, THR168B, THR168F, THR171B, TYR134B, TYR134F, VAL158B, VAL158F, VAL162B, VAL162F
• B-X: ALA3X, ALA4X, ARG1X, ASN153B, GLN194B, GLU193B, GLU2X, LYS155B, PRO154B
• D-F: ALA191F, ARG125F, CYS148F, CYS151F, CYS167D, GLN194F, GLU169D, GLU193F, HIS116F, HIS150F, ILE129D, ILE149F, LYS117F, LYS126D, LYS128D, LYS190F, PHE127D, PHE170D, PRO132F, SER172D, THR168D, THR171D, TYR134F, VAL115F
• D-X: ALA182D, ALA3X, ALA4X, ARG125D, ARG135D, ARG1X, ASN122D, ASP142D, ASP143D, ASP165D, ASP176D, ASP179D, CYS141D, CYS145D, CYS167D, CYS175D, CYS177D, GLU180D, GLU181D, GLU2X, GLY124D, GLY173D, ILE174D, LEU133D, LEU147D, LYS126D, PHE127D, PHE170D, SER172D, THR144D, THR168D, THR171D, TRP183D, VAL146D