Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIKFGLATQIFVGLILGVIVGVI--WYGNP-ALPTYLQPIGDLFLRLIKMIVIPIVVSSLIIGVAGAGNGKQVGKLGFRTILYFEIITTFAIILGLALANIFHPGTGVNIHEAQKSDISQYVETEKEQSNKSVAETFLHIVPTNFFQSLVEGDLLAIICFTVLFALGIS--------AIGERGKPVLAFFEGVSHAMFHVVNLVMKVAPFGVFALIGVTVSKFGLGSLISLGKLVGLVYVALAFFLIVIFGIVAKIAGISIFKFLAYMKDEILLAFSTSSSETVLPRIMEKMEKIGCPKGIVSFVIPIGYTFNLDGSVLYQSIAALFLAQVYGIDLTIWHQITLVLVLMVTSKGMAAVPGTSFVVLLATLGTIGVP------AEGLAFIAGVDRIMDMARTVVNLTGNALAAVVMSKWEGMFNPAKAETVMSQSKTEQNATISG 4P1A Chain:A ((7-419)) --YIEYPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLCMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQ-------QFQPHQAPPLV-HILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTEGTL----------------------

General information: TITO was launched using: RESULT: Template: 4P1A.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 : 2103 -393072 -186.91 -992.61 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -186.91 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4P1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P1A-query.scw PDB file : Tito_Scwrl_4P1A.pdb: