2B0O

crystal structure of uplc1 gap domain

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 27
  • Norm. En. per Res.: -5.9577
• Hub Node: E(3)

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
E-F	-97.8076	-1.42	-539.967	-639.1946	223	37	13	22783	9	46	56
E-G	0.0	23.3033	-68.4032	-45.0999	54	0	3	3488	0	25	46
E-H	0.0	-7.0941	-7.9214	-15.0156	18	0	1	572	0	4	6
F-G	0.0	-7.9349	-59.7686	-67.7035	30	3	3	2436	0	6	3
F-H	-49.4421	-15.033	-96.3829	-160.858	27	4	4	3188	0	2	3
G-H	-112.9418	0.2879	-510.153	-622.8068	207	26	6	21091	4	36	48

Interface residues

• E-F: ALA600E, ALA617E, ALA617F, ALA619E, ALA619F, ALA646E, ALA646F, ALA677E, ALA677F, ALA679E, ALA679F, ALA683E, ALA683F, ARG435E, ARG469E, ARG469F, ARG474E, ARG474F, ARG477E, ARG477F, ARG558E, ARG645E, ARG645F, ASN455E, ASN455F, ASN496E, ASN496F, ASN598E, ASN611E, ASN611F, ASN633F, ASN652E, ASN652F, ASP484E, ASP484F, ASP572E, ASP572F, ASP606E, ASP606F, ASP616E, ASP616F, ASP636E, ASP636F, ASP689F, CYS637E, CYS637F, GLN479E, GLN479F, GLN571F, GLN575E, GLN575F, GLN599E, GLN599F, GLN610E, GLN610F, GLN676E, GLN676F, GLN678E, GLN678F, GLU431E, GLU470E, GLU470F, GLU490E, GLU490F, GLU653E, GLU653F, GLU669E, GLU669F, GLU672E, GLU672F, GLU675E, GLU675F, GLU697F, GLY466E, GLY466F, GLY472E, GLY472F, GLY487E, GLY487F, GLY574E, GLY574F, GLY612E, GLY612F, GLY613E, GLY613F, GLY622E, GLY622F, GLY644E, GLY644F, GLY649E, GLY649F, GLY655E, GLY655F, GLY680E, GLY680F, HIS468E, HIS468F, HIS591F, HIS614E, HIS614F, HIS627E, HIS627F, HIS687E, HIS687F, ILE462E, ILE462F, ILE608E, ILE608F, ILE609E, ILE609F, LEU424E, LEU424F, LEU427E, LEU428E, LEU452F, LEU471E, LEU471F, LEU483E, LEU483F, LEU485E, LEU485F, LEU486E, LEU486F, LEU491E, LEU491F, LEU492E, LEU492F, LEU493E, LEU495E, LEU588E, LEU588F, LEU602E, LEU602F, LEU615E, LEU615F, LEU638E, LEU638F, LEU640E, LEU640F, LEU641E, LEU641F, LEU642E, LEU642F, LEU647E, LEU647F, LEU659E, LEU659F, LEU673E, LEU673F, LEU674E, LEU674F, LEU686E, LEU686F, LYS426F, LYS618E, LYS618F, LYS639E, LYS639F, LYS643E, LYS643F, MET478E, MET478F, MET532E, PHE475E, PHE475F, PHE567E, PHE567F, PHE573E, PHE573F, PHE682E, PHE682F, PHE684E, PHE684F, PRO488E, PRO488F, PRO576E, PRO576F, PRO603E, PRO603F, PRO635E, PRO635F, PRO685E, PRO685F, SER465E, SER476E, SER476F, SER480E, SER480F, SER489E, SER489F, SER601E, SER691F, SER695F, THR425E, THR425F, THR454E, THR454F, THR482E, THR482F, THR624E, THR624F, THR650E, THR650F, THR657E, THR657F, THR681E, THR681F, THR696F, TRP451E, TRP451F, TRP692F, TYR690F, VAL467E, VAL473E, VAL473F, VAL605E, VAL605F, VAL648E, VAL648F, VAL651E, VAL651F, VAL688F, VAL693F
• E-G: ALA430E, ALA430G, ALA597G, ALA600G, ALA630G, ALA662E, ARG558G, ASN598G, ASN633E, ASN633G, ASP423E, ASP423G, ASP636G, CYS670G, GLN599G, GLN634G, GLN676E, GLU431E, GLU431G, GLU669E, GLU669G, GLU671E, GLU672E, HIS422G, HIS666E, HIS666G, HIS667E, HIS667G, LEU424E, LEU424G, LEU427E, LEU427G, LEU428E, LEU428G, LEU602G, LEU631G, LYS426E, LYS426G, LYS595G, LYS639E, LYS664E, LYS665E, LYS665G, LYS668E, LYS668G, PRO635E, PRO635G, SER601G, THR425E, THR425G, TYR632E, TYR632G, VAL594G, VAL596G
• E-H: ASP423E, ASP636E, ASP689H, GLN599E, GLU669E, HIS687H, LEU424E, LEU427E, LEU428E, LEU602E, LYS639E, PRO488E, PRO635E, PRO685H, THR425E, TRP692H, TYR690H, VAL688H
• F-G: ASP423G, ASP689F, GLN599G, GLU697F, GLY487G, HIS422G, HIS687F, ILE429G, ILE694F, LEU424G, LEU427G, LEU428G, LEU485G, LEU486G, LEU491G, LEU492G, LEU495G, LYS426G, LYS639G, PRO421G, PRO488G, SER489G, SER691F, SER695F, THR425G, THR696F, TRP692F, TYR690F, VAL688F, VAL693F
• F-H: ALA679H, ALA683H, ASP689F, ASP689H, GLN678H, GLY680H, HIS687F, HIS687H, ILE694F, LEU686F, LEU686H, PHE682H, PHE684H, PRO685F, PRO685H, SER691F, SER691H, SER695F, THR681H, THR696F, TRP692F, TRP692H, TYR690F, TYR690H, VAL688F, VAL688H, VAL693F
• G-H: ALA430G, ALA494G, ALA600G, ALA617G, ALA617H, ALA619G, ALA619H, ALA646G, ALA646H, ALA677G, ALA679G, ALA679H, ALA683H, ARG435G, ARG469G, ARG469H, ARG474G, ARG474H, ARG477G, ARG477H, ARG528G, ARG528H, ARG645G, ARG645H, ARG663G, ASN455G, ASN455H, ASN496G, ASN611G, ASN611H, ASN652G, ASN652H, ASP484G, ASP484H, ASP572G, ASP572H, ASP606G, ASP606H, ASP616G, ASP616H, ASP636G, ASP660G, ASP689H, CYS637G, GLN479G, GLN479H, GLN575G, GLN575H, GLN599G, GLN610G, GLN610H, GLN676G, GLN678G, GLN678H, GLU431G, GLU470G, GLU470H, GLU490G, GLU490H, GLU653G, GLU653H, GLU669G, GLY466G, GLY466H, GLY472G, GLY472H, GLY487G, GLY487H, GLY574G, GLY574H, GLY612G, GLY612H, GLY613G, GLY613H, GLY622G, GLY622H, GLY644G, GLY644H, GLY649G, GLY649H, GLY655G, GLY655H, GLY680G, GLY680H, HIS468G, HIS468H, HIS538H, HIS614G, HIS614H, HIS627G, HIS627H, HIS687H, ILE462G, ILE462H, ILE608G, ILE608H, ILE609G, ILE609H, ILE694H, LEU424G, LEU427G, LEU428G, LEU452G, LEU452H, LEU456H, LEU471G, LEU471H, LEU483G, LEU483H, LEU485G, LEU485H, LEU486G, LEU486H, LEU491G, LEU492G, LEU492H, LEU493G, LEU493H, LEU495G, LEU561G, LEU588G, LEU588H, LEU602G, LEU615G, LEU615H, LEU626H, LEU638G, LEU640G, LEU640H, LEU641G, LEU641H, LEU642G, LEU642H, LEU647G, LEU647H, LEU659G, LEU659H, LEU673G, LEU686H, LYS618G, LYS618H, LYS639G, LYS639H, LYS643G, LYS643H, MET478G, MET478H, MET497G, MET532G, PHE475G, PHE475H, PHE567G, PHE567H, PHE573H, PHE607G, PHE682H, PHE684H, PRO436G, PRO488G, PRO488H, PRO576G, PRO603G, PRO635G, PRO685H, SER434G, SER453G, SER453H, SER476G, SER476H, SER480G, SER480H, SER489G, SER489H, SER501G, SER601G, SER691H, THR425G, THR425H, THR454G, THR454H, THR482G, THR482H, THR624G, THR624H, THR650G, THR650H, THR657G, THR657H, THR681G, THR681H, TRP451G, TRP451H, TRP692H, TYR690H, VAL432G, VAL467G, VAL467H, VAL473G, VAL473H, VAL536H, VAL605G, VAL648G, VAL648H, VAL651G, VAL651H, VAL688H, VAL693H