Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKS---EKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGL--SLQKDLLYELCDLIAARDH 3PDE Chain:B ((36-286)) --------------------------------LAAAMTYSVLAGGKRLRPLLTVATMQSLGVTFVPERHWRPV-MALELLHTYSLIHDDLPAMDNDALRRGEPTNHVKFGAGMATLAGDGLLTLAFQWLTA---TDLPATMQAALVQALATAAGPSGMVAGQAKDIQSEHVNLPLSQLRVLHKEKTGALLHYAVQAGLILGQAPEAQWPAYLQFADAFGLAFQIYDDILDVVS-----------DADEAKNTYPGKLGLIGANQALIDTIHSGQAALQGLPTSTQRD--------------

General information: TITO was launched using: RESULT: Template: 3PDE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1055 -7279 -6.90 -30.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -6.90 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_3PDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDE-query.scw PDB file : Tito_Scwrl_3PDE.pdb: