Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLVYTLIAIVALIVMIAKFRIYPFLVLIIVSLGLALAVGMPMDGIVKSYEAGTGKTLGHLAIVIALGSMLGKMMAESGGAERIAIALIKWFG--E-KHI--HWAMMFIALIVGLPVFF-EVGFVLLIPIAFNIAKRTGKSLLIVGLPMVAGLSVVHGLIPPHPAAL-LAV--QA--YHADIGKTIMYSLLVGVPTAVVAGPLYALWINKYVKLPENNPLAKQFVEADANNTRELPSFGITLFTIMLPVALMLVGSWADVFFAPKTFPNELLRFIGTSDIALLIAVLVSFITFGTMQGFNREQIEKFCGGCLASIAGILLIVGAGGGFGGILRDSGISNEIVSTALKANLSPLLLGWLVAAIIRLATGSATVAMATACSIVAPIAAAAGVVVRPELLVLATGSGSLIFSHVNDAGFWLIKEYFGMTVGQTLKTWSVLETIISVLGLSFTLLLSAVL 4R0C Chain:C ((326-475)) ------------------------------------------------AMEVTMAS-MAGYLVLMFFAAQFVAWFNYSQLGLLLAVKGAAWLGALTVPKVVLLLLFVVLTALINLMIGSASAKWSILAPVFIPMLMLLGISPEASQAAYRVGDSSTNIITPLMPYFVLVLGFARRYQPETGIGTLIALMLPYSLTLLLG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R0C.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 : 373 -52699 -141.28 -379.13 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.45 3D Compatibility (PKB) : -141.28 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.45 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_4R0C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R0C-query.scw PDB file : Tito_Scwrl_4R0C.pdb: