Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------MDFLHHILSTYASFFDWKMWGEVLTDPVSWGLIGSLVVLEGLLSADNALVLAVMVKHLPEKQRKKALTYGLFGAYIFRFIFIGLGMLLIKFWWIKVLGALYLAWLVIKHFWIGEKEEEADGMKKNSWMVRTFGI---FWATVISVELMDLAFSVDSILAAFAVSEKVWVLLIG------------GMLGIL--MMRTVAKVFLVLIDKIPELENTAFVL-------IGIIALKMAGSAFHYEMPHSVFFIIIIAAFAVTLIIHYINKQKQVREQTAASKEE----------------- 2YYE Chain:A ((3-345)) GGIMVELLKLVRSSGCAAKVGPGDLQEILKGFNIYTDESTLVSIGDDAGVYEHNGIIWVYTVDIITPVVNDPYLWGAISTANALSDVYAMGGIPVNALAISCFNNCELDIEIFREVIRGALDKLREAKT----VLLGGHTIDDKEPKFGLSVAGICPEGKYITQSGAQVGQLLILTKPIGTGILIKGLKEGILKEEDINEAIENMLALNDKARNLMLSLDATACTDVTGFGLLGHAWNICKNSNIGARIFFEKVPYYQLSENLVKKKIYPKGAIENLNFVKNYLKSNLDNWKLILLSDPVTSGGLLFTINKEKLEKIDETAKELEVNYWIIGETIAENVLEVL

General information: TITO was launched using: RESULT: Template: 2YYE.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 : 1237 -188224 -152.16 -743.97 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -152.16 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_2YYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YYE-query.scw PDB file : Tito_Scwrl_2YYE.pdb: