Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIKFGLATQIFVGLILGVIVGVI--WYGNP-ALPTYLQPIGDLFLRLIKMIVIPIVVSSLIIGVAGAGNGKQVGKLGFRTILYFEIITTFAIILGLALANIFHPGTGVNIHEAQKSDISQYVETEKEQSNKSVAETFLHIVPTNFFQSLVEGDLLAIICFTVLFALGIS--------AIGERGKPVLAFFEGVSHAMFHVVNLVMKVAPFGVFALIGVTVSKFGLGSLISLGKLVGLVYVALAFFLIVIFGIVAKIAGISIFKFLAYMKDEILLAFSTSSSETVLPRIMEKMEKIGCPKGIVSFVIPIGYTFNLDGSVLYQSIAALFLAQVYGIDLTIWHQITLVLVLMVTSKGMAAVPGTSFVVLLATLGTIGVP------AEGLAFIAGVDRIMDMARTVVNLTGNALAAVVMSKWEGMFNPAKAETVMSQSKTEQNATISG 3KBC Chain:C ((6-416)) -KYIEYPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLCMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQ-------QFQPHQAPPLV-HILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE-------------------------

General information: TITO was launched using: RESULT: Template: 3KBC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2085 -389071 -186.60 -987.49 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain C : 0.84 3D Compatibility (PKB) : -186.60 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.371

(partial model without unconserved sides chains): PDB file : Tito_3KBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KBC-query.scw PDB file : Tito_Scwrl_3KBC.pdb: