Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTSPRMKWFVLLFTFVFAIGMNSFRNSFQFFMLPMADAFHADRSLISVSVSIFMITTGIVQFFVGFFIDR-FSVRKIMALGAVCISASFLVLPYSPNVHVFSAIYGVLGGIGYSCAVGVTTQYFISCWFD--THKGLALAILTNANSAGLLLLSPIWAAAPYHAGWQSTYTILGIVMAAVLLPLLVFGMKHPPHAQ-----AETVKKSYDW-----------------------------------------------------RGFWNVMKQSRLIHILYFGVFTCGFTMGIIDAHLVPILKD-AHVSH-----V-NGMMAAFGAFIIIGGLLAGWLSDLLGSRSVM----LSILFFIRLLSLICLLIPIL---GIHHSDLWYFGFILLFGLSYTGVIPLTAASISESYQTGLIGSLLGINFFIHQVAGALSVYAGGLFFDMTHGYLLIVAVCIVFVGLSAVIELVPFLDKQKAKETHHSI 4IKV Chain:A ((57-461)) -------------------------------------GGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFV-SMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFL-GLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPE---------------------------------------

General information: TITO was launched using: RESULT: Template: 4IKV.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 : 1289 -224231 -173.96 -679.49 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -173.96 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_4IKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKV-query.scw PDB file : Tito_Scwrl_4IKV.pdb: