Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MLLWLFEQLAG--YHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLW-ADLSNPYV---WIVLGVMVVFGAVGWADDWIKIRYKDN---AGLPARKKFFWT-------SVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFI---VFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVF-AYLSGDIRFANYLHIPYVKYTSELVVICS-------AMIGAGLAFLW-YNAHPAQVFMG---------DVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRN--KRVFLMAPL-----HHHYEKQGWKETQVVIR---FWIITIMLVVLGLMTLKLR--------------------- 4UQU Chain:A ((1-462)) AEKEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGE--VKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSK---AITEGPRTFEGRSIHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIHDGVEWLIDNTRNITEVWDGKINTYGLDADHFRDTVSFRKDRVK

General information: TITO was launched using: RESULT: Template: 4UQU.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 : 1882 -122541 -65.11 -333.90 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -65.11 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_4UQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UQU-query.scw PDB file : Tito_Scwrl_4UQU.pdb: