Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHVLIAVILFFLSIGLSAGCAEAGNKTQNQSATEVNASPLQPAEYFIYHNLMNDKGLIKTDFSDQPSYLSESLGLWMEFLLSKNDAPHFQDQYQHLTDSFLMSNHLVTWKIQNGQASGTNALIDDMRIMLSLDQAAAKWGRSDYAQTARDIGTSLKTYNMNNGFFTDFYDSQAASKDVTLSYVMPDALAVLKKNGIIDEETEQRNANVLYSAPLKNGFLPKTYSSETKEYTYDSEINLIDQLYAAWHLPEGDEKA-SVLADWIKQEFQKNGKLYGRYSAYTKEPAVQYESPSVYALAVLFLTKQHENSSVIKAIYDRMNDFEIHDPVKSYYGGYMSGTQTHSFDNLLPLLAERKLFNENIIQ 2SQC Chain:A ((37-307)) LSNVTMEAEYVLLCHILD----------------RVDRDRMEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEPMQKALRFIQSQ-----------------GGIESSRVFTRMWLAL------VGEYPWEKVP---MVPPEIMFLGKRMPLNIYEFGSWARATVVALSIVMSRQPVFPL------PERARVPELYETDVP----PRRRGAKGGGGWIFDALDRALHGYQKLSVHPFRRAAEIRALDWLLERQAGDGSWGGI-------------QPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELD----YGGWMFQAS-----------------------

General information: TITO was launched using: RESULT: Template: 2SQC.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 : 1287 -129072 -100.29 -478.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -100.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_2SQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SQC-query.scw PDB file : Tito_Scwrl_2SQC.pdb: