3CM9

solution structure of human siga2

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-S
  • Int. Res.: 9
  • Norm. En. per Res.: -0.1434
• Hub Node: B(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
A-B	0.0	0.0	-3.4103	-3.4103	53	0	0	754	0	0	0
A-C	0.0	0.0	-0.2525	-0.2525	6	0	0	76	0	0	0
A-D	0.0	0.0	226.388	226.388	25	36	0	895	0	0	0
A-L	0.0	0.0	-2.6884	-2.6884	79	0	0	827	0	0	0
B-C	0.0	0.0	-0.1202	-0.1202	5	0	0	43	0	0	0
B-D	0.0	0.0	-2.2733	-2.2733	18	0	0	334	0	0	0
B-J	0.0	0.0	-1.0488	-1.0488	16	0	0	139	0	0	0
B-M	0.0	0.0	-2.5013	-2.5013	69	0	0	795	0	0	0
B-S	0.0	0.0	-1.2905	-1.2905	9	0	0	128	0	0	0
C-D	0.0	0.0	-3.514	-3.514	54	0	0	779	0	0	0
C-J	0.0	0.0	-0.3124	-0.3124	15	0	0	128	0	0	0
C-N	0.0	0.0	-2.6238	-2.6238	72	0	0	832	0	0	0
C-S	0.0	0.0	6.7374	6.7374	18	3	0	333	0	0	0
D-O	0.0	0.0	-2.5424	-2.5424	72	0	0	837	0	0	0
J-S	0.0	0.0	448.202	448.202	52	44	0	2029	0	0	0

Interface residues

• A-B: ALA389A, ALA389B, ARG262B, ARG391A, CYS231A, CYS231B, CYS232A, CYS232B, CYS289A, CYS289B, CYS291B, GLN392A, GLU347A, GLU347B, GLU348A, GLU348B, GLY290A, GLY290B, HIS233A, HIS233B, HIS340A, HIS340B, HIS447A, HIS447B, LEU288B, LEU341A, LEU341B, LEU342A, LEU342B, LEU386B, PRO228A, PRO229A, PRO229B, PRO230A, PRO230B, PRO343A, PRO343B, PRO344A, PRO344B, PRO345A, PRO345B, SER346A, SER346B, SER390A, SER390B, THR387A, THR387B, THR404A, THR404B, THR446B, TRP388A, TRP388B, VAL403B
• A-C: GLU347C, GLY443A, LYS444A, PRO345C, PRO445A, SER346C
• A-D: ALA442A, ALA442D, ARG440A, ASN449A, ASN449D, ASP439A, ASP439D, GLY443A, GLY443D, HIS447A, HIS447D, ILE438D, LEU441A, LEU441D, LYS444A, LYS444D, PRO445A, PRO445D, SER451D, THR437D, THR446A, THR446D, VAL448A, VAL448D, VAL450D
• A-L: ALA32L, ALA34L, ALA43L, ARG173A, ARG45A, ARG45L, ASN174A, ASN92L, ASP110A, ASP136A, ASP180A, ASP50L, GLN114A, GLN124L, GLN160L, GLN179A, GLN44A, GLN63A, GLN89L, GLN90L, GLU108A, GLU161L, GLU47A, GLU55L, GLY100L, GLY101L, GLY113A, GLY115A, GLY41L, GLY50A, GLY99L, ILE117L, LEU133A, LEU135A, LEU33L, LEU46A, LEU46L, LEU47L, LEU96L, LYS106A, LYS42L, PHE109A, PHE116L, PHE118L, PHE131A, PHE175A, PHE209L, PHE91L, PHE98L, PRO119L, PRO120L, PRO132A, PRO139A, PRO158A, PRO176A, PRO177A, PRO44L, PRO95L, SER107A, SER121L, SER134A, SER162L, SER178A, SER208L, SER62A, SER93L, THR138A, THR164L, THR97L, TRP112A, TRP48A, TYR111A, TYR49L, TYR61A, TYR87L, TYR94L, TYR96A, VAL145A, VAL163L
• B-C: ALA442B, GLY443B, GLY443C, LEU441B, LYS444C
• B-D: ALA350B, ALA411B, ALA442D, ARG440D, ASN352B, ASP418D, GLU347B, GLU348B, GLU412B, GLY417D, GLY443D, LEU349B, LEU351B, LEU441D, LYS415B, LYS415D, LYS416D, SER346B
• B-J: ASN403J, GLU399J, GLU400J, GLY385J, GLY402J, GLY443B, HIS447B, LYS444B, PRO401J, PRO445B, SER451B, THR446B, VAL448B, VAL450B, VAL452B, VAL453B
• B-M: ALA32M, ALA34M, ALA43M, ARG173B, ARG45B, ARG45M, ASN174B, ASN92M, ASP110B, GLN114B, GLN124M, GLN160M, GLN44B, GLN89M, GLN90M, GLU108B, GLU123M, GLU47B, GLY100M, GLY101M, GLY113B, GLY115B, GLY50B, GLY99M, ILE117M, LEU133B, LEU135B, LEU33M, LEU46B, LEU46M, LEU96M, LYS106B, LYS207M, LYS42M, MET49B, PHE109B, PHE116M, PHE118M, PHE131B, PHE175B, PHE209M, PHE91M, PHE98M, PRO119M, PRO120M, PRO132B, PRO139B, PRO176B, PRO44M, PRO95M, SER107B, SER121M, SER134B, SER162M, SER176M, SER178B, SER208M, SER62B, SER93M, THR138B, THR164M, THR97M, TRP112B, TRP48B, TYR111B, TYR49M, TYR61B, TYR94M, VAL163M
• B-S: ALA455B, ASP118S, CYS461B, GLU456B, LYS120S, THR119S, TYR122S, VAL121S, VAL457B
• C-D: ALA389C, ALA389D, ARG262D, ASP263D, CYS231C, CYS231D, CYS232C, CYS232D, CYS289C, CYS289D, CYS291C, CYS291D, GLN392C, GLU347C, GLU347D, GLU348C, GLU348D, GLY290C, GLY290D, HIS233C, HIS233D, HIS340C, HIS340D, HIS447C, HIS447D, LEU288D, LEU341C, LEU341D, LEU342C, LEU342D, LEU386D, PRO228C, PRO229C, PRO229D, PRO230C, PRO230D, PRO343C, PRO343D, PRO344C, PRO344D, PRO345C, PRO345D, SER346C, SER346D, SER390C, SER390D, THR387C, THR387D, THR404C, THR404D, THR446D, TRP388C, TRP388D, VAL403D
• C-J: ARG336J, ASN403J, CYS353J, GLY404J, GLY443C, LEU352J, LYS444C, PRO338J, PRO354J, PRO445C, SER337J, SER451C, THR405J, THR446C, VAL448C
• C-N: ALA32N, ALA34N, ALA43N, ARG173C, ARG45C, ARG45N, ASN174C, ASN92N, ASP110C, ASP136C, ASP180C, GLN114C, GLN124N, GLN160N, GLN179C, GLN89N, GLN90N, GLU108C, GLU161N, GLU47C, GLY100N, GLY101N, GLY113C, GLY115C, GLY99N, ILE117N, LEU133C, LEU135C, LEU175N, LEU33N, LEU46C, LEU46N, LEU47N, LEU96N, LYS106C, LYS42N, PHE109C, PHE116N, PHE118N, PHE131C, PHE175C, PHE209N, PHE91N, PHE98N, PRO119N, PRO120N, PRO132C, PRO139C, PRO176C, PRO177C, PRO44N, PRO95N, SER107C, SER121N, SER134C, SER162N, SER176N, SER178C, SER62C, SER93N, THR138C, THR164N, THR97N, TRP112C, TRP48C, TYR111C, TYR49N, TYR61C, TYR94N, TYR96C, VAL145C, VAL163N
• C-S: ALA389S, ALA455C, ARG394S, ASP458C, CYS461C, GLN390S, GLU392S, GLU456C, GLY393S, GLY459C, LEU395S, LYS388S, THR460C, TRP386S, TYR391S, TYR462C, VAL387S, VAL457C
• D-O: ALA32O, ALA34O, ALA43O, ARG173D, ARG45D, ARG45O, ASN174D, ASN92O, ASP110D, GLN114D, GLN124O, GLN140D, GLN160O, GLN89O, GLN90O, GLU108D, GLU123O, GLU161O, GLU47D, GLY100O, GLY101O, GLY113D, GLY115D, GLY99O, ILE117O, LEU133D, LEU135D, LEU175O, LEU33O, LEU46D, LEU46O, LEU96O, LYS106D, LYS207O, LYS42O, PHE109D, PHE116O, PHE118O, PHE131D, PHE175D, PHE209O, PHE91O, PHE98O, PRO119O, PRO120O, PRO132D, PRO139D, PRO176D, PRO177D, PRO44O, PRO95O, SER107D, SER121O, SER134D, SER162O, SER176O, SER178D, SER208O, SER62D, SER93O, THR138D, THR164O, THR97O, TRP112D, TRP48D, TYR111D, TYR49O, TYR61D, TYR94O, TYR96D, VAL145D, VAL163O
• J-S: ALA302S, ALA323S, ALA372J, ALA372S, ALA418J, ARG304S, ARG376J, ARG376S, ARG416J, ARG432S, ASN374J, ASN374S, ASN426S, ASP301S, ASP417J, ASP428S, CYS377J, CYS377S, GLN218S, GLN322S, GLN373J, GLN373S, GLU225S, GLU300S, GLU370J, GLU370S, GLY303S, GLY371J, GLY371S, GLY375J, GLY375S, GLY419J, GLY427S, ILE321S, LEU226S, LEU368J, LEU430S, LYS299S, PHE420J, PRO320S, PRO378J, SER319S, SER415J, THR429S, TRP324S, TRP369J, TRP386J, TRP431S, TYR228S, TYR305S, TYR421J, VAL227S