3FG8

crystal structure of pas domain of rha05790

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 71
  • Norm. En. per Res.: -3.6419
• 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	-20.7553	-47.9623	-179.387	-248.1046	72	7	7	7100	3	21	9
A-C	0.0	-4.7647	-50.8893	-55.654	29	4	0	2594	0	16	25
A-E	0.0	-1.0959	-25.0281	-26.124	28	5	0	1504	0	16	7
A-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	1
B-C	0.0	15.8611	-29.6898	-13.8287	26	0	0	1250	0	15	11
B-D	0.0	0.0	-0.0161	-0.0161	4	0	0	13	0	2	2
B-F	-16.5674	-32.4422	-200.239	-249.2486	76	6	8	7710	1	23	12
C-D	0.0	3.7771	-5.8533	-2.0762	20	0	0	491	0	9	4
C-E	-18.5484	-53.3006	-186.724	-258.573	71	7	7	7189	3	22	11
C-F	0.0	1.123	-7.6993	-6.5763	21	2	0	631	0	7	8
D-F	-32.22	-2.3543	-190.747	-225.3213	70	15	8	7383	0	23	10

Interface residues

• A-B: ALA133A, ALA177B, ALA184B, ALA209A, ALA213A, ARG120A, ARG139A, ARG139B, ARG149A, ARG155A, ARG180B, ARG187B, ASN122A, ASN144A, ASP135A, ASP135B, ASP137B, ASP176B, ASP210A, CYS147A, CYS179B, GLN126A, GLN171B, GLN189B, GLU121A, GLU136A, GLU136B, GLU165B, GLU169B, GLY127A, GLY128A, GLY130A, GLY146A, GLY172B, GLY186B, GLY212A, GLY212B, ILE141A, LEU123A, LEU129A, LEU134A, LEU134B, LEU138B, LEU148A, LEU159A, LEU167B, LEU178B, LEU183B, LEU196B, LEU214A, LEU214B, LYS181B, PHE125A, PHE131A, PHE175B, PRO168B, SER145A, SER173B, SER211A, SER211B, THR164B, THR170B, THR185B, TYR124A, TYR142A, TYR197B, VAL143A, VAL162B, VAL163B, VAL182B, VAL215A, VAL216B
• A-C: ARG149A, ARG149C, ARG152A, ARG152C, ARG153A, ARG153C, ARG155A, ARG155C, ASN144C, ASP156A, ASP156C, CYS147C, GLU157A, GLU157C, GLY128A, GLY146A, GLY146C, HIS150A, HIS150C, LEU129A, LEU148A, LEU148C, LEU158C, SER145A, SER145C, SER154A, SER154C, VAL143C, VAL151C
• A-E: ALA223A, ARG139E, ARG149A, ARG152A, ARG155E, ARG161E, ASP135E, ASP137E, ASP156E, ASP194A, ASP220A, GLU136E, GLU224A, GLY160E, GLY200A, GLY212E, HIS150A, ILE140E, ILE141E, LEU138E, LEU158E, LEU159E, PRO199A, SER195A, SER198A, THR202A, THR222A, TYR197A
• A-F: ARG155A, ARG187F
• B-C: ARG139B, ARG149C, ARG152C, ARG155B, ARG161B, ASP135B, ASP137B, ASP156B, ASP194C, GLU136B, GLU157B, GLU165B, GLY160B, GLY200C, HIS150C, ILE140B, ILE141B, LEU158B, LEU159B, LEU196C, PRO199C, SER198C, THR222C, TYR197C, VAL151C, VAL162B
• B-D: ARG155B, ASP156B, LYS181D, THR185D
• B-F: ALA133B, ALA177F, ALA184F, ALA209B, ALA209F, ALA213B, ALA213F, ARG120B, ARG139B, ARG139F, ARG155B, ARG180F, ARG187F, ASN122B, ASN144B, ASP135B, ASP135F, ASP137F, ASP156B, ASP176F, ASP210B, ASP210F, CYS147B, CYS179F, GLN126B, GLN171F, GLN189F, GLU121B, GLU136B, GLU136F, GLU165F, GLU169F, GLY127B, GLY128B, GLY130B, GLY146B, GLY172F, GLY186F, GLY212B, GLY212F, ILE140F, ILE141B, LEU123B, LEU129B, LEU134B, LEU134F, LEU138F, LEU148B, LEU159B, LEU167F, LEU178F, LEU183F, LEU214B, LEU214F, LYS181F, PHE125B, PHE131B, PHE175F, PRO168F, SER145B, SER173F, SER211B, SER211F, THR164F, THR170F, THR185F, TYR124B, TYR142B, TYR197F, VAL143B, VAL162F, VAL163F, VAL166F, VAL182F, VAL215B, VAL216F
• C-D: ALA177C, ALA177D, ARG180C, ARG180D, ASP176C, ASP176D, ASP194D, GLN171C, GLN171D, GLU169C, GLU169D, GLY172C, GLY172D, LEU178D, LEU196D, LYS181C, SER173C, SER173D, TYR174C, TYR174D
• C-E: ALA133C, ALA177E, ALA184E, ALA209C, ALA213C, ARG120C, ARG139E, ARG155C, ARG180E, ARG187E, ASN122C, ASN144C, ASP135C, ASP135E, ASP137E, ASP156C, ASP176E, ASP210C, CYS147C, CYS179E, GLN126C, GLN171E, GLN189E, GLU121C, GLU136C, GLU136E, GLU165E, GLU169E, GLY119C, GLY127C, GLY128C, GLY130C, GLY146C, GLY172E, GLY186E, GLY212C, GLY212E, ILE141C, LEU123C, LEU129C, LEU134C, LEU134E, LEU138E, LEU148C, LEU159C, LEU167E, LEU178E, LEU183E, LEU196E, LEU214C, LEU214E, LYS181E, PHE125C, PHE131C, PHE175E, PRO168E, SER145C, SER173E, SER211C, THR164E, THR170E, THR185E, TYR124C, TYR142C, TYR197E, VAL143C, VAL162E, VAL163E, VAL182E, VAL215C, VAL216E
• C-F: ALA208F, ALA209F, ARG120F, ARG152C, ARG153C, ARG187F, ASN122F, ASP210F, GLN171C, GLU169C, GLU188F, GLY172C, GLY186F, LEU167C, PHE125F, PRO168C, SER211F, THR185F, TYR197C, VAL151C, VAL166C
• D-F: ALA133F, ALA177D, ALA184D, ALA209F, ALA213D, ALA213F, ARG120F, ARG139D, ARG139F, ARG155F, ARG180D, ARG187D, ASN122F, ASN144F, ASP135D, ASP135F, ASP137D, ASP176D, ASP210F, CYS147F, CYS179D, GLN126F, GLN171D, GLN189D, GLU121F, GLU136D, GLU136F, GLU165D, GLU169D, GLY127F, GLY128F, GLY130F, GLY146F, GLY172D, GLY186D, GLY212D, GLY212F, ILE140D, ILE141F, LEU123F, LEU129F, LEU134D, LEU134F, LEU138D, LEU148F, LEU159F, LEU167D, LEU178D, LEU183D, LEU214D, LEU214F, LYS181D, PHE125F, PHE131F, PHE175D, PRO168D, SER145F, SER173D, SER211F, THR164D, THR170D, THR185D, TYR124F, TYR142F, TYR197D, VAL143F, VAL162D, VAL163D, VAL182D, VAL215F