Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLSKNGAGILACLLISILSWYLGGFFP---VI-G-APVFAIFIGMLLHPFLSSYKQLDAGL-T-----FSSKKLLQYAVVLLGFGLNISQVFAVGQSSLPVILSTISIALIIAYLFQRFFALDTKLATLVGVGSSICGG--SAIAATAPV----IHAKEKE-VAQAISVIFFFNVLAALIFPTLGTWLHLSNEGFALFAGTA-VNDTSSVTAAASAWDSLYQSNTLESATIVKLTRTLAIIPITLFLSYWQSRQQENKQSLQLKKVFPLFILYFILASLLTTLLTSLGVSSSFFTPLKQLSKFL----IVMAMSAIGL-KTNLVAMVKS-SGKSILLGAICWIAIILTTLGMQTLIGIF 5A1S Chain:C ((55-375)) ----------FALMFVMGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFAALLDMVGKKYT----WLSGEGELVRKAS-------------DEKAGQITHRETAVGMVLSTTCFLLAYVVAKKIL-P--SIGGVSIHYFAWMVLIVAALNASGL---CSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVV------------

General information: TITO was launched using: RESULT: Template: 5A1S.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 : 1045 -133244 -127.51 -457.88 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -127.51 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: