Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDSEEYHLPQHVAIIMDGNNRFAKKNQMQKGDGHREGKNVLDPIVEHCVKTGVRALTVFAFSSENWNRPQYEVDLLMKLLEETIHEQIPRMKKFNIALRFIGDRSRLPSHLVALMEDAEQQTAHHDAMTLTIAVSYGGMWDIANAAKQVAQAVSRGEIDADQINVDLFENYVSLNDLPAVDLLIRTGRDFRISNFLLWQAAYAELYFTDTLWPEFTVEEFDHALNVFSGRERRFGKTSEQIQQEKIEKL 3SGT Chain:B ((16-240)) -------HGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSEN---PAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE------------------

General information: TITO was launched using: RESULT: Template: 3SGT.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 : 1012 -136029 -134.42 -612.74 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -134.42 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_3SGT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SGT-query.scw PDB file : Tito_Scwrl_3SGT.pdb: