Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAFIGLGNMGGRMAQNLLKAGLKVYGYDLSEVAIQHFAEAGGVVCDSPQDAAKQADVVITMLPAAKHVKEVYLGENGVLEVLKAGSLCIDSSTIDPQTIKDIAAVAHSKNIKICDAPVSGGTIGAQAGTLTFMVGADEQTFNEVKPVLSHMGKNIVHCGDVGAGQIAKICNNLILGISMAAVAEGMALGVKLGIDPQALAGVINTSSGRCWSSDVCNPWPHINENAPASRGYQDGFATQLMLKDLGLAVEAAGQVKQPVLLGGMVQQLYQQMCMRGNAHLDFSSIIQQYLPQEA 3CKY Chain:B ((5-293)) IKIGFIGLGAMGKPMAINLLKEGVTVYAFDLMEANVAAVVAQGAQACENNQKVAAASDIIFTSLPNAGIVETVMNGPGGVLSACKAGTVIVDMSSVSPSSTLKMAKVAAEKGIDYVDAPVSGGTKGAEAGTLTIMVGASEAVFEKIQPVLSVIGKDIYHVGDTGAGDAVKIVNNLLLGCNMASLAEALVLGVKCGLKPETMQEIIGKSSGRSYAMEAKMEKF------IMSGDFAGGFAMDLQHKDLGLALEAGKEGNVPLPMTAMATQIFEGGRAMGLGREDMSAVIKVWEQMT-

General information: TITO was launched using: RESULT: Template: 3CKY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1590 -197934 -124.49 -684.89 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -124.49 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_3CKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CKY-query.scw PDB file : Tito_Scwrl_3CKY.pdb: