Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGIS-SHAGVDAAHALGMQVIITDHHLTTKETPLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDYNNRILVDAGVKRIQQHQCRVGILALLDIAGREATSIRAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKEQFHRPTIVFAPDEDGIHIKGSARSIDGVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVAAMDESIFQATLWTDGELPVSALQ-LDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKETHLKLRLA-IDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ 4PG7 Chain:A ((20-446)) HMKKLNI---ALLGLGTVGSGVVKIIEE--NRQQIQDTLNKDIVIKHILVR----------------DKSKK--------------------------------RPLNISQ-YHLTEDVNEILNDD-SLDIIVEVMGGIEPTVDWLRTALKNKKHVITANKDLLAVHLKLLEDLAEENGVALKFEASVAGG------------------PNNISKFMGILNGTSNFILSKMTKEQTT-----------------------------FEEALDEAKRLGFAEADPTDDVE-------GVDAARKVVITSYLSFNQVIKLNDVKRRGISG-VTLTDINVADQL-----GYKIKLIGKGIYENGKVNASVEPTLIDKKHQLAAV-EDEYNAIYVIGDAVG-----------------DTMFYGKGAGSLATGSAVVSDLLNVAL-------------FFESTLPPHFELKTDKTREMEKSNFFVVVN--HVKGSIENFENELKAI-----LPFHRSLRVANYDNQSYAAVIVG----LESSPEELITKHGYEVDKVYPVEGV-----------

General information: TITO was launched using: RESULT: Template: 4PG7.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 : 2072 25277 12.20 63.51 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 12.20 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.210

(partial model without unconserved sides chains): PDB file : Tito_4PG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PG7-query.scw PDB file : Tito_Scwrl_4PG7.pdb: