Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRTLKELILAAEFAAIISVLSQMTIPFG-LVPLTGQTFAIGLTATFLGRKLGLISVGVYLLLGLIGLPVFSGMTGGIAVLFGPTGGYLIGFLLQTWITGWMIERTDAH---------YLYAIFANLMGSLAALICGTIWLKISGD-L-TF-TTAFASGLLPFLLPEAIKATGAAYIGILMKKRLNRFLHTN 4TKR Chain:B ((30-212)) QNKRLIILLECAIFAAVAMVLSFIPLDIGSSFSISLGMIPMYVIAIRRGFWAAGFAGLLWGLLHFL----T-GK-AYILMPSQAIIEYILAFSFIAF-SGVFSKQVRSNLAANQLKKAIEWAWGTMIIGGVARYFWHYVAGVLFWGAYAFQGWGAQLFSIVMNGASCLGTVLVSGIIISILLKTSPKLFL--

General information: TITO was launched using: RESULT: Template: 4TKR.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 : 754 -131369 -174.23 -772.76 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -174.23 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_4TKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TKR-query.scw PDB file : Tito_Scwrl_4TKR.pdb: