Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATSTPIVKSIRAIPVAGHDSMLLNLSGAHGPYFTRNILIIEDNSGNIGVGEIPGGEKILATLNDAKALVEGQPIGEYKNLLKKIQQTFADRD-SGGRGNQTFD--LRTTIHVVTAYESALLDLLGKHLNVNVASLLGEGQQRSEVEVLGYLFFIGDRKQTSLDYATSTQQHEWYKVRHEKALTPEAVQRLAEASYDRYGFKDFKLKGGVLQGEQEAEAVTAIARRFPDARVTLDPNGAWFLDEAIALGKHLKGVLAYAEDPCGAEQGYSSREIMAEFKRATGLPTATNMVATDWREMSHSIQLQAVDIPLADPHFWTL-EGSVRVSQLCKMYNLTWGSHSNNHFDISLAMFTHVAAAAVGNVTAIDTHWIWQEGTDQLT-KVPLEIKDGKIQVPTAPGLGVELDWDRINQAHELYKLKGLGARNDADAMQFLIPNWTFNNKKPCLVR 3VA8 Chain:A ((22-445)) SMSQRSIIKEIVITPVAFHDMPLLNSVGVHEPFALRSIIEIITE-DSYGLGESYGDSAHLDRLQKAADKIKGLSVYSTNVIYQRCVESLRNDTN--GDGMGGMVVTASVADKVFSPFEVACLDLQGKLAGISVSDLLG-GRVRDSVQYSAYLFYKWGGHPGD-------EDDEY-----GPALDPEGVVKQAKKIIDEYGFKAIKLKGGVFPPADEVAAIKALHKAFPGVPLRLDPNAAWTVETSKWVAKELEGIVEYLEDPAGEIEG------MAAVAKEASMPLATNMAVVAFDHLPPSILQDAVQVILSDHHFWGGLRKSQTLASICATWGLRLSMHSNSHLGISLAAMTHLASATPNLDYACDTHWPWKRRDEDVVIEGALKWKDGGVIVPSGPGLGVELDRERLAKLHQQYVDCGLKKRDDTTYMKRFKPEFSEKIPRW----

General information: TITO was launched using: RESULT: Template: 3VA8.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 : 2574 -20419 -7.93 -48.97 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -7.93 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3VA8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VA8-query.scw PDB file : Tito_Scwrl_3VA8.pdb: