Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIKFGLATQIFVGLILGVIVGVI--WYGNP-ALPTYLQPIGDLFLRLIKMIVIPIVVSSLIIGVAGAGNGKQVGKLGFRTILYFEIITTFAIILGLALANIFHPGTGVNIHEAQKSDISQYVETEKEQSNKSVAETFLHIVPTNFFQSLVEGDLLAIICFTVLFALGIS--------AIGERGKPVLAFFEGVSHAMFHVVNLVMKVAPFGVFALIGVTVSKFGLGSLISLGKLVGLVYVALAFFLIVIFGIVAKIAGISIFKFLAYMKDEILLAFSTSSSETVLPRIMEKMEKIGCPKGIVSFVIPIGYTFNLDGSVLYQSIAALFLAQVYGIDLTIWHQITLVLVLMVTSKGMAAVPGTSFVVLLATLGTIGVP------AEGLAFIAGVDRIMDMARTVVNLTGNALAAVVMSKWEGMFNPAKAETVMSQSKTEQNATISG 2NWW Chain:B ((10-416)) -----YPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQ-------QFQPHQAPPLV-HILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE-------------------------

General information: TITO was launched using: RESULT: Template: 2NWW.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 : 1986 -347944 -175.20 -892.16 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -175.20 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2NWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWW-query.scw PDB file : Tito_Scwrl_2NWW.pdb: