Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKPLSILQPGTGLFNTHVTLEDVNKAIKEQMSTESELTAESKME--VIGEGNGFSSCVILITCHWTIPSSHLPKKLILKIVSFVHVQGLLNKSNEEGNSVMSPEEEAHVHAHFEKSCQKGHNLEVEFCEAFGHLEGLLLPKVFFSQKFEEDNPNKGFVGMEFVEGSVVRHCYE---------NVTV----DELQPILKALARLQALSLSTESCRNLDNGEAFEESLMDMLSEDGLKGIFDQSRNIDQKLSEKVERIEQNHKEILNLETVLNLNKV-VGIDQKVICHGDLWAANILWTQTDGGFIADKVLDYQESHMGNPAEDLVRLLVSTISGADRQ-----------SHWEHILEQFYTYFTDEIGSNNAPYTLEQLKTSFKLYFPVGALTLISLFGPAVDMKLQGMESGKAENYRRIVIEKVDCLLDDVLNFHDFNKKFTGKN 3ATS Chain:A ((4-297)) ------------------AVISRWLSSVLPGGA-----APE-VTVESGVDST--GMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPV---------------------FPTY-----RLDHQFEVIRLVGELTDVPVPRVRWIETTGD-VLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTF-SFLT----DTTLHRHFN--WVRSWYDFAVEG-IGRSPLLERT---FEWLQ-----SHWPDDAAA-REPVLLWGDARVGNVLYRDF----QPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQAL------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1108 -43045 -38.85 -164.29 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -38.85 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: