Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSV--ATILASLIGGPPTTTYGENIGVLAI--TRVFSVFVIGGAAVIA----LCFGFIGKISA-LISSVPSAVMGGVSF----LLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQA----KEEQADTSEQHHI 1B41 Chain:A ((237-405)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGEARRRATQLAHLVGCP------NDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAG-------VRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNV

General information: TITO was launched using: RESULT: Template: 1B41.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 : 438 -40376 -92.18 -280.39 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -92.18 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.058

(partial model without unconserved sides chains): PDB file : Tito_1B41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B41-query.scw PDB file : Tito_Scwrl_1B41.pdb: