Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLKSDGYSSDHIRLNRFVFWSSAVSIGIFGLLFVLFPEKSQFWLTYVQEQVNHFFGWYYMLVIVLCLGFVAWLAFSRVGQIPLGKDHDKPEFGYLAWTSMLFSAGIGIALLYYGVAEPVDHFLRPPEGEAGTIQAARN-AMTYSFLHWGIHGWVLYALLGVTLGYFAFRQDLP-LALRSALYPIFGER-VHGLVGDFVDGFGILATVISLVTNLGIGALVLVLGICYLIPDNSATLITAVLIMMFV--ATVTTVVGIEKGLAWLSRINLRLLYALLLFVFLTGPTNHLLNGLVQNTGDYLNNFMGKSFDMYLYNQK--ASGWLGSWTVFYWAWWIAWAPFVGMFIARISKGRTIREVVLG-VCLIPLGFTLAWISIFGNTAIHLILNQKQKVLGDMVLSDP---ALSLFKLLEYLPFNPYIAGIVVVICFVLFLTPVGSGTLMIANLSSKGGTSDSDSPIWLRIFWSVVITIVSIGLLLAGSFNSMQSAVVLCGLPFSVIILLYMFGLAKALKQDDFDPNVAKKQLAISKDISIPSNCDQNKVTEVL 2WSW Chain:A ((19-504)) ------------------VFFPPLIIVGILCWLTVRDLDASNEVINAVFSYVTNVWGWAFEWYMVIMFGGWFWLVFGRYAKKRLGDE--KPEFSTASWIFMMFASCTSAAVLFWGSIEIYYYISSPPFGMEGYSAPAKEIGLAYSLFHWGPLPWATYSFLSVAFAYFFFVRKMEVIRPSSTLVPLVGEKHVNGLFGTVVDNFYLVALILAMGTSLGLATPLVTECIQYLFGIPHTLQLDAIIISCWILLNAICVAFGLQKGVKIASDVRTYLSFLMLGWVFIVGGASFIVNYFTDSVGTLLM-YMPR---MLFYTDPIGKGGFPQAWTVFYWAWWVIYAIQMSIFLARISKGRTVRELCLGMVSGLTAGTWLIWTILGGNT-LQLI---DQNILNIPQLIDQYGVPRAIIETWAALPLSTATMWGFFILCFIATVTLINACSYTLAMSTCRSMKEGADPPLLVRIGWSVLVGIIGIILLALGGLKPIQTAIIAGGCPLFFVNIMVTLSFIKDAK----------------------------------

General information: TITO was launched using: RESULT: Template: 2WSW.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 : 2381 -345777 -145.22 -727.95 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -145.22 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_2WSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WSW-query.scw PDB file : Tito_Scwrl_2WSW.pdb: