Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVNPITHYIGSFIDEFALSGITDAVVCPGSRSTPLAVLCAAHPDISVHVQIDERSAGFFALGLAKAK-QRPVLLICTSGTAAANFYPAVVEAHYSRVPIIVLTADRPHELREVGAPQAINQHFLFGNFVKFFTDSALPEESPQMLRYIRTLASRAAGEAQKR-PMGPVHVNVPLREPLMPDLSDEPFGRMRTGRHVSVKTGTQSVDRESLSDVAEMLAEAEKGMIVCGELHS-DADKENIIALSKALQYPILADPLSNLRNGVHDKSTVIDAYDSFLKDD-ELKRKLRPDVVIRFGPMPVSKPVFLWLKDDPTIQQIVIDEDGGWRDPTQASAHMIHCNASVFAEEIMAG-LTAA-----TRSSEWLEKWQFVNGRFREHLQTISSEDVSFEGNLYRILQHLVPENSSLFVGNSMPI-RDVDTFFEKQDRPFRIYSNRGANGIDGVVSSAMGVCEGTK-APVTLVIGDLSFYHDLNGLLAAKKLGIPLTVILVNNDGGGIFSFLPQASEKT-----HFEDLF---GTPTGLDFKHAAALYGGTYSCPASWDEFKTAYAPQAD----KPGLHLIEIKTDRQSRVQLHRDMLNEAVREVKKQWEL 2PAN Chain:A ((25-586)) ----AKMRAVDAAMYVLEKEGITTAFGVPGAAINPFYSAMRKHGGIRHILARHVEGASHMAEGYTRATAGNIGVCLGTSGPAGTDMITALYSASADSIPILCITGQAPRARLHKEDFQAVDIEAIAKPVSKMAVTVREAA-------LVPRVLQQAFHLM-RSGRPGPVLVDLPFDVQVAEIEFDPD----MYEPLPVYK---PAASRMQIEKAVEMLIQAERPVIVAGGGVINADAAALLQQFAELTSVPVIPTLMGWGCIPDD-HELMAGMVGLQTAHRYGNATLLASDMVFGIGNRFANRHTGSVEKYTEGRKIVHIDIEPTQIGRVLCPDLGIVSDAKAALTLLVEVAQEMQKAGRLPCRKEWVADCQQRKRTLLRK--THFDNVPVKPQRVYEEMNKAFGRDVCYVTTIGLSQIAAAQML--HVFKDRHWINCGQAGPLGWTIPAALGVCAADPKRNVVAISGDFDFQFLIEELAVGAQFNIPYIHVLVNNAYLGLIRQSQRAFDMDYCVQLAFENINSSEVNGYGVDHVKVAEGLGCKAIRVFKPEDIAPAFEQAKALMAQYRVPVVVEVILERVTNISM------------------

General information: TITO was launched using: RESULT: Template: 2PAN.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 : 3275 -86418 -26.39 -160.63 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -26.39 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_2PAN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PAN-query.scw PDB file : Tito_Scwrl_2PAN.pdb: