Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAG-AEISDVHEAWRTIRAEGNNQIAIMHCVA-KYP-APPEYSNLSVIPMLAAAFPEAVIGF-SDHSEHPT----EAPCAAVRLGA--KLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE 4C1L Chain:A ((12-260)) --VVKINDVKFGE--GFTIIAGPCSIE--SRDQIMKVAEFLAEVGIKVLRGGAFKPRTS----------PY--------SFQ--GYGEKALRWMREAADEYGLVTVTEVMDTRHVELVAKY-SDILQIGARNSQNFELLKEVGKVENPVLLKRGMGNTIQELLYSAEYIMAQGNENVILCERGIRTFETATRFTLDDSAVPVVKELS-HLPIIVDPSHPAGRRSLVIPLAKAAYAIGADGIMVEVHPEPEKAL--SDSQQQLTFDDFLQLLKELEALGW--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C1L.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 : 1415 -80305 -56.75 -336.00 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -56.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4C1L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C1L-query.scw PDB file : Tito_Scwrl_4C1L.pdb: