Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKDGYIIERGPDSFLERKKSAPQLVKDLGLEHLLVNNATGQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGM------KKTRPQGSGQQLTAKKQ--GQFQTLSTGLQTLVEEIEKQLKLTKVYKGTKVTKLSHSGSCYSLELDNGVTLDA------------DSVIVTAP----------HKAAAGMLSELPAISHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVI---SRNSDFAITACTWTNKKWPHAAPEGKTLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHK-QRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS 1SEZ Chain:A ((14-495)) -----KRVAVIGAGVSGLAAAY------KLKIHGLNVTVFEAEGKAGGKLRSVSQDGLIWDEGANTMTESEGDVTFLIDSLGLRE-------KQQFPLSQNKRYIARNGTPVLLPSNPIDLIKSNFLSTGSKLQMLLEPILW-----SHESVSGFFQRHFGKEVVDYLIDPFVAGTCGGDPDSLSMHHSFPELWNLEKRFGSVILGAIRSKLS---------KTSANKKRQRGSFSFLG-GMQTLTDAICKDLREDELRLNSRVLELSCSCTEDS-AIDSWSIISASPHKRQSEEESFDAVIMTAPLCDVKSMKIAKRGNPFLLNFIPEVDYV------PLSVVITTFKRENVKYPLEGFGVLVPSKEQQHGLKTLGTLFSSMMFPDRAPNNVYLYTTFVGGSRNRELAKASRTELKEIVTSDLKQLLGAEGEPTYVNHLYWSKAFPLY--GHNYDSVLDAIDKMEKNLPGLFYAGNHRGGLSVGKALSSGCNAADLVISYLES

General information: TITO was launched using: RESULT: Template: 1SEZ.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 : 2373 -199311 -83.99 -465.68 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -83.99 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_1SEZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SEZ-query.scw PDB file : Tito_Scwrl_1SEZ.pdb: