Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNAPVKTENHLSVQQESPIDKTLSMIERIALDPSSDVAKLEKMIELQERVMKTQAKQAYDNAMVLAQSEMPPIDKFKKGHNSNYAPLD--HIMSIVFPVLKRNNLFVRWTSDPKENGSLCVTCICSHVGGHSETSSMDVKEDRGGSKSDIQGMGSAFTYAKRYTLSALLGLVLTDDTDGARINLKVTDAQATMLR-NKLKFFK-PEALEAFKAKIGCEVEELPRGDFDYWCSYIDNQINKLMANQGEKNANP 4D0L Chain:A ((10-566)) SWLLRLFESKLFDISMAISYLYNSKEPGVQAYIGNRLFCFRNEDVDFYLPQLLNMYIHMDEDVGDAIKPYIVHRCRQSINFSLQCALLLGAYSSRGTKLRKLILSRLAPEREFIKSLMAIGKRLATLPTKEQKTQRLISELSLLNHKLPARVWLPTAGFDHHVVRVPHTQAVVLNSKDKAPYLIYVEVLECENFDTTSVPARIPENPSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQELLAFQVLKQLQSIWEQERVPLWIKPYKILVISADSGMIEPVVNAVSIHQVKKQS----QLSLLDYFLQEHGSY--TTEAFLSAQRNFVQSCA--GYCLVCYLLQ--------VKDRHNGNILLDAEGHIIHIDFGFILSSSSAFKLT-----------TEFVDVMGGLD---------------------GDMFNYYKMLMLQGLIAAR--------KHMDKVVQIVEIMQQGSQLPCFHGSSTIRNLKERFHM--------------SMTEEQLQLLVEQMVDGSMRS

General information: TITO was launched using: RESULT: Template: 4D0L.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 : 561 -8177 -14.57 -45.94 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -14.57 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_4D0L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D0L-query.scw PDB file : Tito_Scwrl_4D0L.pdb: