Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMMNDLPRWPRYRPIRVIGQGGFGTVYLCVDTEPTSTMYEQEVAVKAVSLGALSDEEVLMVMSEVSLLKNVGHPNIITYYDSFLYDDDESALSRKGGATLVPQADGDDIAAAGAGFRSQWLCLVTEYMDGGDLAALLRQYSGQELNSTKDVCEATSLSTVGTAAAARKRGRPSAAVTEDAAAGADQGEVSEGDWVSRSRLHRQRLATTLRAVPRPPMSTFPTTVTKATVMRWDGLDASVDQTWMSDASAAAMPTTPLGATDAEAADGAACGSRNGIQMPTAAASNAAVGSAATGAPHLTNVSVKNTVAAAGLASEPLEPQLPPPPNQLWVESFLITDIAKQCLDALAYLHALCIVHRDIKPSNIYLSKR-DGTVKIGDFGVSKLLQPAEPFTMTFVGTPFYLCPELCMGDPYSFGADIWALGVVLYELYCLKLPFTSDNVLAQIYVITEGVYDTAALGTPHAFAESQQAVLETLYGPSFLHSERLLHSLVVSMVDKMLQVDPAERPSAEELLTGVFGAGSTSRCGSSAGLPLAPVAPTPVHRPLSTCALAHDSVSTPPQRGPSSFAVKPEGVAATTPQAPSNRLGPSASEQHARWAGSLVAAASSTLQQEQGASRVSLTAPGSRRSRERRDDVVDDFTGAHAPLAVRVKTSVGDILQGMPSAQRERLGNRAAAEERDEKEEVSRAMLPVASPKPTPSSALFHSTVKAGVGSDSANRQAALSPSLAGRERAEVAALPEKRRGSTVGAEPPSLELAEHTALQLLPAAPFPLELLYGGLVNIGDSAVNSTGATGEQRTVDDKASVSTPLGAQATQQASPLSSMLPADRPPAVRTHCDDDDALDHPIGAQTRSEFMALMENIPWLKNAEVFSSIPLSAGCDNVMLVERANRSSVSASGADGALSSATDNTAAGGSEERAEGAAPASKGSRTAPHQRQSQLPSPLRSPHSPATGTEDMQMSSNPLLPVCRAGVVSPTAPRIEVKTISGTTITMGGSRRPPSSRSPFQRGSAGAAEMADAESTQSVSQRRVSGGLTAASRQPPCIPAAPLRQRVSVTALPTTVLTSTPKPPASRPDEPQMTQDASGPACPSPSLQPRGDADRQPTAVTVASKGASASHPRLFSSSGLEPTVGNAASEARLRPFSAAQMRATAIASASGAAPPTPKAHSPGHCEGYSTTELEALLQAKLLTHYQRRQRQLGAQRTQHAAQEAAKAAARAKLKALYDEVFVSRLDPASSDAAYTAPYHSGGTIDGPSEVPDEFVARTDKRSRAASDSGDSGAHFPGDDAVAAPVARAATQLPALEADAWAKGAPVAVHLTKEAASPSPPSAPSPPSAPSPPSAPSPPSAPSSHGSPLPFSVDATARQAETEESVLRALSAVYSRPVEIPATTVPGTGTLMDDGDYGKDWLAATPAVRRIREAASLAVAVEHQCAAFRRGKEPARLCVAPPWRPPHDSRDVPGLWETSSAEEEADVSARGRLGCPAPASVREEVRWRWSAPPSDLDDTAGTTSEDEERGALLSSTASSSAVPSISTSPSSSSSALLASTSGANMLDAPGQTSKTPSITAAPEADVQQRLQSRKLVPSGGELGGGVIGSRRSPADAHAGGPRPSSLLGSPMYLELDSVDGGIRGGHTRDDGIHGVSLSMSSLADASAKATAAAGHEKDETDSASASSSSTTSTISSTSSASHSSASHSSRALSHPHRSKDEARHDVSSSSHDDGSSAQNSSSGSSSDDAPSSASQTASFSFHSFGGAASSTDANDDDAEPCAATKRADSDGDEDMSYTYTVQLDAVTGRRHFEYVCPVTVEVVGALPGGCRVVSAVAALRALDFAKAAPLSAMQVPPSEHCSMKQGSDGLAARVLTAEAPTDLSATPSPHEGGDDTAAANGGISSCPGQDKTFLFDGEYHTMWQEDGGFGAAAASPPTPSAPAPSSSLSSLPPDAGATVGFTAVPGKQQGHVPAANGMAPPEGSQSAREATLHSALPSTTNWQPDATARVAAASSSCVEDGNNDGNGATAHLRGRAASLHLSGETLARVAAPLRPSHVALGALSEETMAKAHAPLTHPSLADSDPTKVNTEMLPASKSASSNADGNQAMGFLCDRACTQGQTAVTPAQEIAAVMETTWWMRVPSSPSASSQGLGTSQQQHQLTGSPQYIHLPLSLALRPLRQRTRFVGLLWRLWVSLKVSEPALSRVLLHRRGGAPSPSPGCTFAEAFGDWVTGTTPARDTDTGECTEVDVSQQSSSETSTSLRLGRTITTTATTEASSNSDTAADSQVLPASGSLTAPSRPSPLKWGLYYVEARTWCAVQLRTDADWAVVRRKISEMGTMLPFVRLYLLLEEAEPASE
1TKI Chain:A ((20-284))------LYEKYMIAEDLGRGEFGIVHRCVETSSKK-----TYMAKFVKVKG---TDQVLVKKEISILNIARHRNILHLHESFESM--------------------------------EELVMIFEFISGLDIFERINTSAF--------------------------------------------------EL---------------------------------------------------------------------------------------------------------------------------------NE-------REIVSYVHQVCEALQFLHSHNIGHFDIRPENIIYQTRRSSTIKIIEFGQARQLKPGD-NFRLLFTAPEYYAPEVHQHDVVSTATDMWSLGTLVYVLLSGINPFLAETNQQIIENIMNAEYTF-----------------DE-------EAFKEISIEAMDFVDRLLVKERKSRMTASEALQHPWLKQKIER----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1TKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1239 -124721 -100.66 -472.43
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.56

3D Compatibility (PKB) : -100.66
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.440

(partial model without unconserved sides chains):
PDB file : Tito_1TKI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1TKI-query.scw
PDB file : Tito_Scwrl_1TKI.pdb: