Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQ---------AFSSGSTLLTLPLPSIQAECSVPLSYVSRVGRHRLAALPKMCI-DGQWQKFSAGTIVSLLLEELVIESQFKLDAASLLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQNYIAEGCATEQPISDQVKDAIRWCLSESDLNLLKTHVEFKLLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNAPWMVKTSLSVMITNSIRVNLAKECHRGEISYRLWHSDLGKKILKQCPTLKAVNDPAWIALQIDG-------EIINETICIFRDQPFA--VQQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALDWFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDNQGFHYIEEFATEI-VEALPDLLEKAHAVGPKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLLEQY-PDSTLLQGLLFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA 2X3J Chain:B ((11-587)) -RMISEKAALHGLLNCLIKEFAIPEGYLRYEWPDEMKGIPPGAYFDGADWKGIPMMIGLPD-QLQLFVMVDRRDTFGSQHYLSDVYLRQAQGDWQCPDFEPLVARLLAACEHIA--GRKNPELYEQILQSQRLVSAIVSHNGRQR--ADAPLQHYLQSEQGLWFGHPSHPAPKARLWP-HLGQEQWAPEFQARAALHQFEVPVDGLHIGANGLT-P-QQVLD-------GFA-DQQPASPGHAIICMHPVQAQLFMQDARVQQLLRDNVIRDLGQSGRVASPTASIRTWFIDDHDYFIKGSLNVRITNCVRKNAWYELESTVLIDRLFRQLLDQHADT-LGGLVAAAEPGVVSWSPAAAGELDSHWFREQTGGILRENFCRRTGAERSIMAGTLFARGVDL-QPMIQTFLRTHYG---EALDDNALLYWFDDYQTRLLRPVLSLFFNHGVVMEPHLQNSVLVHQQGRPQQVLLRDFEGVKLTDDLGIRYIDDDIH-PRVRQSLLYSREQGWNRIMYCLFINHLSETILALSQGRPQLAPLMWRRVQQQLRAIQGELKQPSPELDALIAGHPVACKTNLKVRLAA-----------ASYVRLPSPW----------

General information: TITO was launched using: RESULT: Template: 2X3J.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 : 3038 1180 0.39 2.15 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 0.39 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_2X3J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X3J-query.scw PDB file : Tito_Scwrl_2X3J.pdb: