Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIVGGVAGGMSAATRLRRLMEDAEIVVFEKGPYVSFANCGLPYYLSGEISERENLLVQTPESLSARFCLDVRPNHEVTAIFPENKTVEVVHE--GQKHIEQYDALVLSPGAKPVVPSIPGITEADNVFSIRNVPDIDKVMHALE-KQPKRAVIVGAGFIGLEMAENLKRRGLEVMVIEQAPHILPTLDEEMAAFIEKELSHQGVEVITSHAVAGFEDHGKRLRLDDGRTIPADLVILSIGVRPDNQLAVTAGIELGIRGGILVDERYQTNIPDIYAVGDAIVVKQQITGKDALISLASPANRQGRQVADTISGIS-RRNQGGIGTAIIRTFGMTAASTGLSERTAKENELSFEVIHVSGKDHASYYPEATDILLKLIFHPETGEIYGAQGVGAKGVDKRIDILATAIKGHLTIFDLPELELTYAPPFGSAKDPVNMLGYAAMNIAEGLSETVQWHELPTELAKGKILLDVRTAEELEKGKFKEAKHIPLNELRDRLNELDSQQEYIVSCHSGLRSYLAERILKQSGYHVKNLDGAFSLYQTVRPEELIYPNK 3ICT Chain:A ((37-586)) RKIVVVGGVAGGASVAARLRRLSEEDEIIMVERGEYISFANCGLPYYIGGVITERQKLLVQTVERMSKRFNLDIRVLSEVVKINKEEKTITIKNVTTNETYNEAYDVLILSPGAKPIVPSIPGIEEAKALFTLRNVPDTDRIKAYIDEKKPRHATVIGGGFIGVEMVENLRERGIEVTLVEMANQVMPPIDYEMAAYVHEHMKNHDVELVFEDGVDALEENGAVVRLKSGSVIQTDMLILAIGVQPESSLAKGAGLALGVRGTIKVNEKFQTSDPHIYAIGDAIEVKDFVTETETMIPLAWPANRQGRMLADIIHGHTDSLYKGTLGTSVAKVFDLTVATTGLNEKILKRLNIPYEVVHVQANSHAGYYPNATPVLIKLIFNKDSGKIYGAQTLGRDGVDKRMDVIATAIKANLTVLDLPDLELSYAPPYSSAKDPVNMVGYAASNIVDGFVDTVQWHEIDRIVENGGYLIDVREPNELKQGMIKGSINIPLDELRDRLEEVPVDKDIYITCQLGMRGYVAARMLMEKGYKVKNVDGGFKLYGTVLPERI-----

General information: TITO was launched using: RESULT: Template: 3ICT.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 : 3227 -10617 -3.29 -19.45 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -3.29 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3ICT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ICT-query.scw PDB file : Tito_Scwrl_3ICT.pdb: