Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEARLEELFKFENFVFVKGNLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYP-VEHLVYASSSSVYGSNKKIPY---------------STDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPD---MAYFGFTNKLL---K--GETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQTGEDGLPVPPYAVYNIGNHN--PENLLDFVQILLEELIRAGVLPEDYDFEAHKELVPMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 1ORR Chain:B ((2-339)) --------AKLLITGGCGFLGSNLASFALS--QGIDLIVFDNLSRKGAT---DNL-HWLSSLGNFEFVHGDIRNKNDVTRLITKYMPDSCFHLAGQVAMTTSIDNPCMDFEINVGGTLNLLEAVRQYNSNCNIIYSSTNKVYGDLEQYKYNETETRYTCVDKPNGYDESTQLDFHSPYGCSKGAADQYMLDYARIFGLNTVVFRHSSMYGGRQFATYDQGWVGWFCQKAVEIKNGINKPFTISGNGKQVRDVLHAEDMISLYFTALANVS----------KIRGNAFNIGGTIVNSLSLLELFKLLEDYCNIDM----RF------TNLPVRESDQRVFVADIKKITNAIDWSPKVSAKDGVQKMYDWTSSI------

General information: TITO was launched using: RESULT: Template: 1ORR.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 : 1804 -83844 -46.48 -268.73 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -46.48 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_1ORR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ORR-query.scw PDB file : Tito_Scwrl_1ORR.pdb: