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 4M0E Chain:A ((240-408)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGEARRRATQLAHLVGCPP-----NDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAG-------VRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNV

General information: TITO was launched using: RESULT: Template: 4M0E.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 : 436 -39041 -89.54 -269.24 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -89.54 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.088

(partial model without unconserved sides chains): PDB file : Tito_4M0E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M0E-query.scw PDB file : Tito_Scwrl_4M0E.pdb: