Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSFGSQVDFSLPHIKIRGLNKFYQSQGQKLHALKEINLDIPQGKILGIIGKSGAGKSSLLRTLNGLEQVNTGSIHIHQQNIAELSHSELIQTRQRIGMIFQHFNLMSAKTVWENVALPLKVSNYNKADIDQRVNEVLALVGLADKSNYYPSQLSGGQKQRVGIARALVHHPEILLCDEATSALDPESTATILALLKKINQGLGLTIVLITHEMQVIREICDQVVVIDQGEIVEAGQVWSVFSRPEQQITQELLNLEQIT-LPFKINPLPDEDSTHIIVKLKYEAEAHQVPDFQELLARFKAPVNLYQSQVDTIQGHIIGSLLVGIPNVEIDLSSIQQDALTAIAQFEVLGYARPAH 3PUZ Chain:B ((20-247)) ----------------------------------KDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE-----RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVT------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PUZ.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 : 1040 -164969 -158.62 -726.74 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -158.62 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_3PUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUZ-query.scw PDB file : Tito_Scwrl_3PUZ.pdb: