3CFH

photoswitchable red fluorescent protein psrfp, off-state

• Total interactions analyzed: 28
• Total true interactions: 21
• Strongest Interaction:
  • Chains: S-H
  • Int. Res.: 152
  • Norm. En. per Res.: -6.332
• Hub Node: A(6)

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
L-A	-269.8355	-37.4162	-590.343	-897.5947	157	35	14	23568	4	41	38
L-B	-10.9537	-16.6688	-3.8783	-31.5008	9	1	0	218	2	3	1
L-R	0.0	0.0	-0.0128	-0.0128	2	0	0	1	0	2	1
L-G	0.0	-1.6433	-31.4749	-33.1181	25	3	0	1368	0	7	12
A-M	-3.4901	-15.3802	-5.1529	-24.0232	12	0	0	198	2	4	1
A-B	-80.4879	-17.6252	-411.419	-509.5321	141	13	17	15962	0	63	59
A-R	0.0	-2.7142	-30.2078	-32.922	25	3	0	1411	0	7	12
A-G	-36.3991	46.2777	-211.05	-201.1713	84	5	1	8075	0	6	16
A-S	0.0	0.0	-2.4088	-2.4088	6	5	0	125	4	0	0
A-H	0.0	5.0422	-2.8302	2.212	16	0	0	233	0	10	9
M-B	-254.6654	-42.4406	-648.006	-945.112	154	33	13	24187	6	41	34
M-S	0.0	0.0	-0.1595	-0.1595	2	0	0	8	0	2	1
M-H	0.0	-0.0334	-27.7857	-27.8191	23	3	0	1123	0	8	12
B-G	0.0	5.0549	-2.917	2.138	16	0	0	241	0	10	9
B-S	0.0	-0.2376	-27.658	-27.8956	24	3	0	1161	0	8	11
B-H	-58.3902	34.8625	-212.638	-236.1658	82	5	1	8090	0	6	14
R-G	-270.0235	-35.3674	-628.233	-933.6239	148	33	14	23107	4	41	38
R-H	-12.8715	-17.8741	-2.2986	-33.0441	9	1	0	204	2	4	1
G-S	-15.1185	-17.7062	40.5722	7.7475	13	7	0	301	6	4	1
G-H	-80.2251	-25.7395	-402.83	-508.7946	142	18	17	15606	0	66	60
S-H	-263.4929	-41.5917	-657.377	-962.4617	152	31	15	24661	5	41	36

Interface residues

• L-A: ALA104A, ALA128A, ALA137A, ALA215A, ALA216A, ALA218A, ALA54L, ARG12L, ARG198A, ARG92A, ASN124A, ASN125A, ASN135A, ASN20L, ASN33L, ASP107A, ASP111A, ASP113A, ASP129A, ASP196A, ASP40L, ASP56L, ASP78A, CYS172A, CYS26L, CYS62L, GLN106A, GLN134A, GLN205A, GLN212A, GLN39L, GLN82A, GLU16L, GLU200A, GLU203A, GLU211A, GLU214A, GLU31L, GLU36L, GLU44L, GLU47L, GLU7L, GLU86A, GLY100A, GLY112A, GLY123A, GLY130A, GLY138A, GLY139A, GLY17L, GLY207A, GLY21L, GLY28L, GLY30L, GLY32L, GLY37L, GLY48L, GLY49L, GLY87A, HIS105A, HIS197A, HIS209A, HIS22L, HIS23L, HIS2L, ILE121A, ILE199A, ILE43L, ILE46L, ILE57L, ILE70A, LEU102A, LEU110A, LEU115A, LEU122A, LEU162A, LEU170A, LEU174A, LEU51L, LEU58L, LEU5L, LYS118A, LYS120A, LYS136A, LYS163A, LYS181A, LYS182A, LYS202A, LYS206A, LYS208A, LYS25L, LYS29L, LYS42L, LYS67A, LYS71A, LYS81A, MET133A, MET13L, MET15L, MET160A, MET41L, MET9L, PHE101A, PHE11L, PHE126A, PHE24L, PHE35L, PHE53L, PHE55L, PHE69A, PHE80A, PHE84A, PHE88A, PRO10L, PRO127A, PRO131A, PRO34L, PRO50L, PRO52L, PRO85A, SER109A, SER158A, SER180A, SER59L, SER61L, SER66A, SER83A, THR103A, THR108A, THR14L, THR176A, THR18L, THR27L, THR38L, THR60L, THR68A, THR6L, THR89A, THR8L, THR94A, TRP140A, TRP90A, TYR117A, TYR178A, TYR210A, TYR213A, TYR72A, TYR96A, VAL116A, VAL119A, VAL132A, VAL19L, VAL201A, VAL204A, VAL217A, VAL45L, VAL73A
• L-B: ALA224B, ASP40L, GLN39L, GLU36L, GLY37L, LYS227B, MET41L, PRO225B, THR38L
• L-R: GLU16L, GLU16R
• L-G: ALA104G, ARG179G, ASN20L, ASP107G, GLN106G, GLU16L, GLU91G, GLY17L, GLY21L, HIS105G, HIS22L, HIS23L, LEU122G, LYS118G, LYS120G, LYS181G, LYS25L, PHE24L, THR103G, THR177G, THR18L, THR89G, TRP90G, VAL153G, VAL19L
• A-M: ALA224A, ARG168A, ASP40M, GLN39M, GLU36M, GLY166A, GLY37M, HIS2M, LYS227A, MET41M, PRO225A, THR38M
• A-B: ALA161A, ALA161B, ALA215A, ALA215B, ALA216A, ALA216B, ALA218A, ALA218B, ALA223A, ALA223B, ALA224A, ALA224B, ARG168A, ARG168B, ARG173A, ARG173B, ARG198A, ARG198B, ARG219A, ARG219B, ASN171A, ASN171B, ASP151A, ASP151B, ASP196A, ASP196B, ASP222A, ASP222B, CYS144A, CYS144B, CYS155A, CYS155B, CYS172A, CYS172B, GLN157A, GLN157B, GLN212A, GLN212B, GLU141A, GLU141B, GLU145A, GLU145B, GLU149A, GLU149B, GLU191A, GLU191B, GLU195A, GLU195B, GLU200A, GLU200B, GLU211B, GLU214A, GLU214B, GLU97A, GLU97B, GLY138A, GLY138B, GLY139A, GLY139B, GLY143A, GLY143B, GLY152A, GLY156A, GLY156B, GLY167A, GLY167B, GLY229A, GLY229B, HIS169A, HIS169B, HIS175A, HIS175B, HIS193A, HIS193B, HIS197A, HIS197B, HIS230A, HIS230B, HIS231A, HIS231B, ILE146A, ILE146B, ILE199A, ILE199B, LEU147A, LEU147B, LEU159A, LEU159B, LEU162A, LEU162B, LEU170A, LEU170B, LEU174A, LEU174B, LEU228A, LEU228B, LYS163A, LYS163B, LYS202A, LYS202B, LYS227A, LYS227B, LYS71A, LYS71B, MET160A, MET160B, PHE192A, PHE192B, PHE194A, PHE194B, PRO142A, PRO142B, PRO190A, PRO190B, PRO225A, PRO225B, SER158A, SER158B, SER226A, SER226B, THR176A, THR176B, THR95A, THR95B, TRP140A, TRP140B, TYR148A, TYR148B, TYR213A, TYR213B, TYR220A, TYR220B, TYR96A, TYR96B, VAL150A, VAL150B, VAL201A, VAL201B, VAL217A, VAL217B, VAL73B
• A-R: ALA104A, ARG179A, ASN20R, ASP107A, GLN106A, GLU16R, GLU91A, GLY17R, GLY21R, HIS105A, HIS22R, HIS23R, LEU122A, LYS118A, LYS120A, LYS181A, LYS25R, PHE24R, THR103A, THR177A, THR18R, THR89A, TRP90A, VAL153A, VAL19R
• A-G: ALA104A, ALA104G, ALA128A, ALA128G, ARG173A, ARG173G, ARG179A, ARG179G, ARG92A, ARG92G, ASN124A, ASN124G, ASN125A, ASN125G, ASP129A, ASP129G, ASP151A, ASP151G, CYS155A, CYS155G, GLN106A, GLN106G, GLN157A, GLN157G, GLU91A, GLU91G, GLY100A, GLY100G, GLY123A, GLY123G, GLY130A, GLY130G, GLY152A, GLY152G, GLY156A, GLY156G, GLY99A, GLY99G, HIS105A, HIS105G, HIS175A, HIS175G, ILE121A, ILE121G, LEU102A, LEU102G, LEU122A, LEU122G, LEU154A, LEU154G, LEU174A, LEU174G, LYS120A, LYS120G, MET133A, MET133G, PHE101A, PHE101G, PHE126A, PHE126G, PRO127A, PRO127G, THR103A, THR103G, THR176A, THR176G, THR177A, THR177G, THR93A, THR93G, THR94A, THR94G, THR95A, THR95G, TRP90A, TRP90G, TYR178A, TYR178G, VAL119A, VAL119G, VAL150A, VAL150G, VAL153A, VAL153G
• A-S: ALA128A, ASP129A, ASP98A, GLY130A, HIS2S, PRO127A
• A-H: ARG168A, ARG168H, ASN171A, ASN171H, ASP129A, ASP129H, ASP98A, ASP98H, GLU97A, GLU97H, GLY99A, GLY99H, PRO127A, PRO127H, TYR96A, TYR96H
• M-B: ALA104B, ALA128B, ALA137B, ALA184B, ALA215B, ALA216B, ALA218B, ALA54M, ARG12M, ARG198B, ARG92B, ASN124B, ASN125B, ASN135B, ASN20M, ASN33M, ASP107B, ASP111B, ASP113B, ASP151B, ASP196B, ASP40M, ASP56M, ASP78B, CYS172B, CYS26M, CYS62M, GLN106B, GLN134B, GLN205B, GLN212B, GLN39M, GLN82B, GLU149B, GLU16M, GLU200B, GLU203B, GLU211B, GLU214B, GLU31M, GLU36M, GLU44M, GLU47M, GLU7M, GLY100B, GLY112B, GLY123B, GLY130B, GLY138B, GLY139B, GLY152B, GLY17M, GLY207B, GLY21M, GLY28M, GLY30M, GLY32M, GLY37M, GLY48M, GLY49M, HIS105B, HIS197B, HIS209B, HIS22M, HIS23M, HIS2M, ILE121B, ILE199B, ILE43M, ILE46M, ILE57M, ILE70B, LEU102B, LEU110B, LEU115B, LEU122B, LEU162B, LEU170B, LEU174B, LEU51M, LEU58M, LEU5M, LYS118B, LYS120B, LYS136B, LYS163B, LYS202B, LYS206B, LYS208B, LYS25M, LYS29M, LYS42M, LYS67B, LYS71B, LYS81B, MET133B, MET13M, MET15M, MET160B, MET189B, MET41M, MET9M, PHE101B, PHE11M, PHE126B, PHE24M, PHE35M, PHE53M, PHE55M, PHE69B, PHE80B, PHE84B, PRO10M, PRO127B, PRO131B, PRO34M, PRO50M, PRO52M, SER109B, SER158B, SER185B, SER59M, SER61M, SER66B, THR103B, THR108B, THR14M, THR176B, THR18M, THR27M, THR38M, THR60M, THR68B, THR6M, THR8M, THR94B, TRP140B, TRP90B, TYR117B, TYR178B, TYR210B, TYR213B, TYR72B, TYR96B, VAL116B, VAL119B, VAL132B, VAL150B, VAL19M, VAL201B, VAL204B, VAL217B, VAL45M, VAL73B
• M-S: GLU16M, GLU16S
• M-H: ALA104H, ARG179H, ASN20M, ASP107H, ASP151H, GLN106H, GLU16M, GLU91H, GLY17M, GLY21M, HIS105H, HIS22M, HIS23M, LEU122H, LYS120H, LYS181H, THR103H, THR177H, THR18M, THR89H, TRP90H, VAL153H, VAL19M
• B-G: ARG168B, ARG168G, ASN171B, ASN171G, ASP129B, ASP129G, ASP98B, ASP98G, GLU97B, GLU97G, GLY99B, GLY99G, PRO127B, PRO127G, TYR96B, TYR96G
• B-S: ALA104B, ARG179B, ASN20S, ASP107B, ASP151B, GLN106B, GLU16S, GLU91B, GLY17S, GLY21S, HIS105B, HIS22S, HIS23S, LEU122B, LYS118B, LYS120B, LYS181B, THR103B, THR177B, THR18S, THR89B, TRP90B, VAL153B, VAL19S
• B-H: ALA104B, ALA104H, ALA128B, ALA128H, ARG173B, ARG173H, ARG179B, ARG179H, ARG92B, ARG92H, ASN124B, ASN124H, ASN125B, ASN125H, ASP129B, ASP129H, ASP151B, ASP151H, CYS155B, CYS155H, GLN106B, GLN106H, GLN157B, GLN157H, GLU91B, GLU91H, GLY100B, GLY100H, GLY123B, GLY123H, GLY130B, GLY130H, GLY152B, GLY152H, GLY156B, GLY156H, GLY99B, GLY99H, HIS105B, HIS105H, HIS175B, HIS175H, ILE121B, ILE121H, LEU102B, LEU102H, LEU122B, LEU122H, LEU174B, LEU174H, LYS120B, LYS120H, MET133B, MET133H, PHE101B, PHE101H, PHE126B, PHE126H, PRO127B, PRO127H, THR103B, THR103H, THR176B, THR176H, THR177B, THR177H, THR93B, THR93H, THR94B, THR94H, THR95B, THR95H, TRP90B, TRP90H, TYR178B, TYR178H, VAL119B, VAL119H, VAL150B, VAL150H, VAL153B, VAL153H
• R-G: ALA104G, ALA128G, ALA137G, ALA215G, ALA216G, ALA218G, ALA54R, ARG12R, ARG198G, ARG92G, ASN124G, ASN125G, ASN135G, ASN20R, ASN33R, ASP107G, ASP111G, ASP113G, ASP196G, ASP40R, ASP56R, ASP78G, CYS172G, CYS26R, CYS62R, GLN106G, GLN134G, GLN205G, GLN212G, GLN39R, GLN82G, GLU16R, GLU200G, GLU203G, GLU211G, GLU214G, GLU31R, GLU36R, GLU44R, GLU47R, GLU7R, GLY100G, GLY112G, GLY123G, GLY130G, GLY138G, GLY139G, GLY17R, GLY207G, GLY21R, GLY28R, GLY30R, GLY32R, GLY37R, GLY48R, GLY49R, HIS105G, HIS197G, HIS209G, HIS22R, HIS23R, ILE121G, ILE199G, ILE43R, ILE46R, ILE57R, ILE70G, LEU102G, LEU110G, LEU115G, LEU122G, LEU162G, LEU170G, LEU174G, LEU51R, LEU58R, LEU5R, LYS118G, LYS120G, LYS136G, LYS163G, LYS202G, LYS206G, LYS208G, LYS25R, LYS29R, LYS42R, LYS67G, LYS71G, LYS81G, MET133G, MET13R, MET15R, MET160G, MET41R, MET9R, PHE101G, PHE11R, PHE126G, PHE24R, PHE35R, PHE53R, PHE55R, PHE69G, PHE80G, PHE84G, PHE88G, PRO10R, PRO127G, PRO131G, PRO34R, PRO50R, PRO52R, PRO85G, SER109G, SER158G, SER59R, SER61R, SER66G, THR103G, THR108G, THR14R, THR176G, THR18R, THR27R, THR38R, THR60R, THR68G, THR6R, THR8R, THR94G, TRP140G, TRP90G, TYR117G, TYR178G, TYR210G, TYR213G, TYR72G, TYR96G, VAL116G, VAL119G, VAL132G, VAL19R, VAL201G, VAL204G, VAL217G, VAL45R, VAL73G
• R-H: ALA224H, ASP40R, GLN39R, GLU36R, GLY37R, LYS227H, MET41R, PRO225H, THR38R
• G-S: ALA224G, ASP151G, ASP40S, GLN39S, GLU31S, GLU36S, GLY37S, HIS2S, LYS227G, MET41S, PRO225G, THR38S, VAL150G
• G-H: ALA161G, ALA161H, ALA215G, ALA215H, ALA216G, ALA216H, ALA218G, ALA218H, ALA223G, ALA223H, ALA224G, ALA224H, ARG168G, ARG168H, ARG173G, ARG173H, ARG198G, ARG198H, ARG219G, ARG219H, ASN171G, ASN171H, ASP151G, ASP151H, ASP196G, ASP196H, ASP222G, ASP222H, CYS144G, CYS144H, CYS155G, CYS155H, CYS172G, CYS172H, GLN157G, GLN157H, GLN212G, GLN212H, GLU141G, GLU141H, GLU145G, GLU145H, GLU149G, GLU149H, GLU191G, GLU191H, GLU195G, GLU195H, GLU200G, GLU200H, GLU203G, GLU211G, GLU214G, GLU214H, GLU97G, GLU97H, GLY138G, GLY138H, GLY139G, GLY139H, GLY143G, GLY143H, GLY156G, GLY156H, GLY167G, GLY167H, GLY229G, GLY229H, HIS169G, HIS169H, HIS175G, HIS175H, HIS193G, HIS193H, HIS197G, HIS197H, HIS230G, HIS230H, HIS231G, HIS231H, ILE146G, ILE146H, ILE199G, ILE199H, LEU147G, LEU147H, LEU159G, LEU159H, LEU162G, LEU162H, LEU170G, LEU170H, LEU174G, LEU174H, LEU228G, LEU228H, LYS163G, LYS163H, LYS202G, LYS202H, LYS227G, LYS227H, LYS71G, LYS71H, MET160G, MET160H, PHE192G, PHE192H, PHE194G, PHE194H, PRO142G, PRO142H, PRO190G, PRO190H, PRO225G, PRO225H, SER158G, SER158H, SER226G, SER226H, THR176G, THR176H, THR95G, THR95H, TRP140G, TRP140H, TYR148G, TYR148H, TYR213G, TYR213H, TYR220G, TYR220H, TYR96G, TYR96H, VAL150G, VAL150H, VAL201G, VAL201H, VAL217G, VAL217H, VAL73G, VAL73H
• S-H: ALA104H, ALA128H, ALA137H, ALA215H, ALA216H, ALA218H, ALA54S, ARG12S, ARG168H, ARG198H, ARG92H, ASN124H, ASN125H, ASN135H, ASN20S, ASN33S, ASP107H, ASP111H, ASP113H, ASP129H, ASP196H, ASP40S, ASP56S, ASP78H, CYS172H, CYS26S, CYS62S, GLN106H, GLN134H, GLN205H, GLN212H, GLN39S, GLN82H, GLU16S, GLU200H, GLU203H, GLU211H, GLU214H, GLU31S, GLU36S, GLU44S, GLU47S, GLU7S, GLY100H, GLY112H, GLY123H, GLY130H, GLY138H, GLY139H, GLY17S, GLY207H, GLY21S, GLY28S, GLY30S, GLY32S, GLY37S, GLY48S, GLY49S, HIS105H, HIS197H, HIS209H, HIS22S, HIS23S, HIS2S, ILE121H, ILE199H, ILE43S, ILE46S, ILE57S, ILE70H, LEU102H, LEU110H, LEU115H, LEU122H, LEU162H, LEU170H, LEU174H, LEU51S, LEU58S, LEU5S, LYS118H, LYS120H, LYS136H, LYS163H, LYS202H, LYS206H, LYS208H, LYS25S, LYS29S, LYS42S, LYS67H, LYS71H, LYS81H, MET133H, MET13S, MET15S, MET160H, MET41S, MET9S, PHE101H, PHE11S, PHE126H, PHE24S, PHE35S, PHE53S, PHE55S, PHE69H, PHE80H, PHE84H, PHE88H, PRO10S, PRO127H, PRO131H, PRO34S, PRO50S, PRO52S, PRO85H, SER109H, SER158H, SER59S, SER61S, SER66H, SER83H, THR103H, THR108H, THR14S, THR176H, THR18S, THR27S, THR38S, THR60S, THR68H, THR6S, THR8S, THR94H, TRP140H, TRP90H, TYR117H, TYR178H, TYR210H, TYR213H, TYR72H, TYR96H, VAL116H, VAL119H, VAL132H, VAL19S, VAL201H, VAL204H, VAL217H, VAL45S, VAL73H