Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE 3GIF Chain:A ((15-214)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------ANERIAELVKLEERQRIARDLEDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGE-----HGLLGMRERLEFANGSLHIDTENGTKLTMAIP------

General information: TITO was launched using: RESULT: Template: 3GIF.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 : 652 -79177 -121.44 -410.24 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -121.44 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_3GIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIF-query.scw PDB file : Tito_Scwrl_3GIF.pdb: