Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMF--GNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE 3GIE Chain:B ((15-214)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------ANERIAELVKLEERQRIARDLEDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMK-IRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIP------

General information: TITO was launched using: RESULT: Template: 3GIE.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 : 681 -51228 -75.22 -260.04 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -75.22 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_3GIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIE-query.scw PDB file : Tito_Scwrl_3GIE.pdb: