Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLAGLSREVEENLNKGSWIRKLFDEGARLKKEFGEDQVFDFSLGNPIVEPPEAFKRALIEEAE----KGSHGYIQNQGLLAAREKVAQFLGSRFEADFSAERIVMTVGAGGALNVALKSIVNP-GEEVIILAPYFAEYKLYIENYGGKAVSCPLT-SRFEIDIEAVRQSITPQTKGLILNTPHNPTGTVLSQKNIDDLGALLKEIEEKSGQ------TIYVLFDEPYSQLIYD-EELANPFQSYHRVILASSFSKDLGIAGERLGYIGLDSRMPDADLLINAFVYCNR------TLGFVNAPVMMQRAVARMDDLRVD-ASAYKERRDLMVDILKEAGFEFEMPKGGFFVFPKSPIEDEVAFCVHAAQKYKLLIVPSSGFGMSGHFRLSFSVPIEQIKNSRDIFISLYKDFA 3ELE Chain:A ((7-396)) --------SMYQLGSVRSAIRELFEYGKKRAAIVGKENVYDFSIGNPSIPAPQIVNDTIKELVTDYDSVALHGYTSAQGDVETRAAIAEFLNNTHGTHFNADNLYMTMGAAASLSICFRALTSDAYDEFITIAPYFPEYKVFVNAAGARLVEVPADTEHFQIDFDALEERINAHTRGVIINSPNNPSGTVYSEETIKKLSDLLE------KKSKEIGRPIFIIADEPYREIVYDGIKVPFVTKYYDNTLVCYSYSKSLSLPGERIGYVLVPD----E--VYDKAELYAAVCGAGRALGYVCAPSLFQKMIVKCQG-ATGDINAYKENRDLLYEGLTRIGYHCFKPDGAFYMFVKALEDDSNAFCEKA-KEEDVLIVAADGFGCPGWVRISYCVDREMIKHSMPAFEKIYKKY-

General information: TITO was launched using: RESULT: Template: 3ELE.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 : 2058 -252999 -122.93 -683.78 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -122.93 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3ELE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ELE-query.scw PDB file : Tito_Scwrl_3ELE.pdb: