Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDRIREKLQILADAAKYDVSCSSSGSDRKNKNKGLGDASHSGICHSYTEDGRCVSLLKILFSNVCIFDCAYCVSRRSND-VQRAAFTVQEVVDLTINFYRRNYIEGLFLSSGIFKSADHTMERMLQVVKKLRLEENFNGYIHLKTIPGASPELIHEAGL-YADRMSINLEMPTEIGLKTFAPEKSHQEVQKDLGLVRDRLIQLKDERQIIKHVPKYVPAGQTTQMVVGAHQESDQDVLFMADKHYKEFKLKRVYFSGYIPINNENNYLPAVGSAPPLLRENRLYQSDWLMRFYGFEVNEIVNEKHPNLDLDVDPKLSWALRHPEQFPVDLNRADYQMILRVPGIGVKSAKKIVQARRFGKIHIDLLKKLGVAYQRAKFFIRCEDSPKFQKELSSSFIRQQILTQGSSKYVQQLSPQLSLGF 5FF3 Chain:A ((57-240)) -----------------------------------------------------------IEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQ-FGAKTIVLQSGE--DPY-MPDVISDIVKEIKK-MGVA--VTLSLG-EWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKEL------------------GYETGAGSMVGLPGQTIDDLVDDLLFLKE-HDFDMVGIGPFIPHPD-TPLAN--------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5FF3.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 : 869 8995 10.35 49.69 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 10.35 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_5FF3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FF3-query.scw PDB file : Tito_Scwrl_5FF3.pdb: