Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQAFSSGSTLLTLPLPSIQAECSVPLSYVSRVGRHRLAALPKMCIDGQWQKFSAGTIVSLLLEELVIESQFKLDAASLLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQN--YIAEGCATEQPISDQVKDAIRWCLSESDLNLLKTHVEFKLLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNAPWMVKTSLSVMITNSIRVNLAKECHRGEISYRLW------HSD-LG-------KKILKQCPTLKAVNDPAWIALQIDGEIINETICIFRDQPFAVQQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALD------WFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDNQGFHYIEEFATEIVEALPDLLEKAHAVGPKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLL--EQYPDSTLLQGLLFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA 3FFE Chain:A ((157-586)) ----------------------------------------------------------------------------------------------------------------------------------------------QHYLQSEQGLWFGHPSHPAPKARLWPAHLGQEQWAPEFQARAALHQFEVPVDGLHIGANGLTPQQVLDGFADQ------------QPASPGHAIICMHPVQAQLFMQDARVQQLLRDNVIRDLGQSGRVASPTASIRTWFIDDHDYFIKGSLNVRITNCVRKNAWYELESTVLIDRLFRQLLDQHADTLGGLVAAAEPGVVSWSPAAAGELDSHWFREQTGG-ILRENFCRRTGAERSIMAG-TLFARGVDLQP-------------MIQTFLRTHYGE-ALDDNALLYWFDDYQTRLLRPVLSLFFNHGVVMEPHLQNSVLVHQQGRPQQVLLRDFEGVKLTDDLGIRYIDDDIHPRVRQSLLYSREQGWNRIMYCLFINHLSETILAL-SQGRPQLAPLMWRRVQQQLRAIQGELKQPSPELDALIAGHPVACKTNLKVR------LA------ASYVRLPSP-----------

General information: TITO was launched using: RESULT: Template: 3FFE.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 : 2135 -6509 -3.05 -16.27 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -3.05 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.271

(partial model without unconserved sides chains): PDB file : Tito_3FFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FFE-query.scw PDB file : Tito_Scwrl_3FFE.pdb: