Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKH-SEYGYYGTKDNFMQK 2VED Chain:A ((47-267)) ---------RSTSSLIVHEQPKSPISEKFRGIRSNIMFANPDSAVQSIVITSEAPGAGMSTIAANLAVAYAQAGYKTLIVDGDMRKPTQHYIFNLPNNEGLSSLLLNWSTYQDSIISTEIEDLDVLTSGPIPPNPSELITSRAFANLYDTLLMNYNFVIIDTPPVNTVTDAQLFSKFTGNVVYVVNSENNNKDEVKKGKELIEATGAKLLGVVLNRMPKDKSASYYAYYG--------

General information: TITO was launched using: RESULT: Template: 2VED.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 : 1187 -115750 -97.51 -526.13 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -97.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_2VED.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VED-query.scw PDB file : Tito_Scwrl_2VED.pdb: