Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDKQKIDEFF--WNKTTPEVARDL-LGMYLEHDTPEGRLAGYIVDA-EAYLGPEDEAAHSYGLRRTPRVRAMYEKP--GTIYLYTMHTHRILNIITQPEGIPQGVMIRAIEPAAM---------IDQMSKNRGGK--------TGPDISNGPGKLVEALAIPQELYG-------QSIADSSLRLVFEKKKTPKKINAL------PRIGIPNKGVWTEKPL-----------RFVVSGNPYISLQRKNQIEKDWGWR-KENEKEGSINIFR------------------------------------------------------- 2CH4 Chain:A ((1-320)) GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIE-PKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDG--RGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLTLAIIQALLVKVNNLVYAIPIANIDTILSISKEDIQRVQDRDVIVIRGEVIPVYR---LWEVLQIEHKEELEEMEAVIVRVGNRKYGIVVDDLLGQDDIVIKSLGKVFSEVKEFSGAAILGDGSIALIINVSGIV

General information: TITO was launched using: RESULT: Template: 2CH4.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 : 914 31277 34.22 144.13 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 34.22 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_2CH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CH4-query.scw PDB file : Tito_Scwrl_2CH4.pdb: