Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGL-KVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLP-HDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAY----VDRIQE---IAETFGEGHLGFKFIPIITRDPSAPLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALKRCGLTMNRRGEGNIAVENYW 2VNK Chain:B ((17-250)) ------DAQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDAL---LPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELV-EGKL--KYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGL----------------

General information: TITO was launched using: RESULT: Template: 2VNK.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 : 1180 -42615 -36.11 -189.40 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -36.11 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2VNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VNK-query.scw PDB file : Tito_Scwrl_2VNK.pdb: