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 2W04 Chain:A ((157-586)) ----------------------------------------------------------------------------------------------------------------------------------------------QHYLQSEQGLWFGHPSHPAPKARLWPAHLGQEQWAPEFQARAALHQFEVPVDGLHIGANGLTPQQVLDGFADQ------------QPASPGHAIICMHPVQAQLFMQDARVQQLLRDNVIRDLGQSGRVASPTASIRTWFIDDHDYFIKGSLNVRITNCVRKNAWYELESTVLIDRLFRQLLDQHADTLGGLVAAAEPGVVSWSPAAAGELDSHWFREQTGG-ILRENFCRRTGAERSIMAG-TLFARGVDLQP-------------MIQTFLRTHYGE-ALDDNALLYWFDDYQTRLLRPVLSLFFNHGVVMEPHLQNSVLVHQQGRPQQVLLRDFEGVKLTDDLGIRYIDDDIHPRVRQSLLYSREQGWNRIMYCLFINHLSETILAL-SQGRPQLAPLMWRRVQQQLRAIQGELKQPSPELDALIAGHPVACKTNLKVR------LA------ASYVRLPSP-----------

General information: TITO was launched using: RESULT: Template: 2W04.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 : 2141 -3582 -1.67 -8.96 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -1.67 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.260

(partial model without unconserved sides chains): PDB file : Tito_2W04.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W04-query.scw PDB file : Tito_Scwrl_2W04.pdb: