Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKNAKIKILDLDLRGCLYLNNFSHSQRVALFFKIISRAGDGPFWYLMLAIVWGMQGITYSLQIIYLLLGGSVGTAIYKFLKHKTTRPRPYQVH-----QVIVLGERPLDHFSFPSGHTLHAVMVTIVLGYIQPVL-----------------LAAMLPFMVLVALSRMVLGLHYPSDVIVGALIGAAVASLIIFVAPLFGIAL 4CIT Chain:A ((313-448)) --------------------------------------------------------------FAYTKASVAMADAFISCWDEKYRSNLIRPETVINQHIDDSWKPVLQTPPFPEYTSGHSVVSGAASVVLTEVFGDNFSFDDDTEVPYGLPIRSFKSFKQAADEAAISRMYGGIHYRAAIEVGVKQGRDLGTFVVNKLH------

General information: TITO was launched using: RESULT: Template: 4CIT.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 : 352 -28416 -80.73 -249.26 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -80.73 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_4CIT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CIT-query.scw PDB file : Tito_Scwrl_4CIT.pdb: