Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MLRLVYYQFLH-------------------NKKQWLGVSPVIFVSSLVMGLAVNG-------------VINVENNSQVFVG-LPDPKP---------------IFMFPIVFGGVTLFFVLSNIINMLVEIFRDDYELL------------EVLGASRLQLSFLVGGQI-----------FIISSIISFIAYLC----------SIFV-------------TSNYYYFLQYFFGENILPDIQFQTSAV------GCIITVVLISFLAFLSGCFYTFKKIRNRKSS--------KIRH-----VLSIVKRILLLAGF------SVIWLLSLQQIFQ---------DSTILAKAQIIF---------------------NIVILDIV------IIYQLSPFIQSCFIKLLSIIIFRNNFMFIVSKWNLLYCKSYIKSISAAITGAILLISSFQMIS---QNILSQFQDDSDLELKVAFIVYVGAPILIVLANIISIAFLSSHQERIEIQQFEILGTSNYQMVKIKVGEAIFLTFVT----SLIAF--------LLNIKIMALIYYSLEDILIDDMNLLGLILPN----FIVSIILFILIFI-------TKSSYFIFKNAKIIS------------- 3VSM Chain:A ((27-659)) NIQELQNFERWFKNNLSYSFSQKAEKVVNPNRNWNDNTVFDNLSPWTSVPDFGTVCHTLIGYCVRYNNTSDTLYQNPELAYNLINGLRIICSKLPDPPPHQQAPWGPVADWYHFTITMPEVFMNITIVLNETQHYDEAASLTRYWLGLYLPTAVNSMGWHRTAGNSMRMGVPYTYSQMLRGYSLAQIRQEQGIQEILNTIAFPYVTQGNGLHVDSIYIDHIDVRAYGYLINSYFTFAYYTYYFGDEVINTVGLTRAIENVGSPEGVVVPGVMSRNGTLYSNVIGNFITYPLAVHSADYSKVLTKLSKTYYGSVVGVTNRLAYYESDPTNNIQAPLWTMA-RRIWNRRGRIINYNANTVSFESGIILQSLNGIMRIPSGTTSTQSFRPTIGQTAIAKTDTAGAILVYAKFAEMNNLQFKSCTLFYDHGMFQLYYNIGVEPNSLNNT-----NGRVIVLSRDTSVNTNDLSFEAQRINNNNSSEGTTFNGVVCHRVPITNINVPSLTVRSPNSS-VELVEQII----SFQTMYTATASACYKLNVEGHSDSLRAFRVNSDENIYVNVGNGVKALFNYPWVMVKENNKVSFMSANEDTTIPFSVIMNSFTSIGEPALQYSPSNCFVYGNGFKLNNSTFDLQFIFEIV

General information: TITO was launched using: RESULT: Template: 3VSM.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 : 2324 -228117 -98.16 -532.98 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -98.16 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.202

(partial model without unconserved sides chains): PDB file : Tito_3VSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VSM-query.scw PDB file : Tito_Scwrl_3VSM.pdb: