Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MSINFSNLSKN-INFINFSKISRGNNKELKYIVKDSEMNRYLFKINSIIHLDNKVNEFRFAKRIEHLPFE-----------KSEIVDLCVFNQ--NRYICSIYKWIDGKILEDQIKNYPSNKQYSFGFKAGRSLK------LIHDLPIRDEELKQVEELPVRKI---------------IEYYHQNKRF-----ENDNIIIDFILKNNSKIKDEKICFLHGHYSIK-----NFIIKNNDEIS----------LIDYNQCYFGDYVQDFSKNEIYNSYY---SEQFAQGI----------IDGYFYN----RKIPDTFWLKYAYYAAYNCIT-----LFLWASKQEV---ISTKIKIKEMIQNVLNQFNNFESIIPNWYKKNVLS-----KERQKFINSPYT-------LEKILGTPKKENKNDSKIKYFDEMYDDNDDDLLDEKMMDSFKEFLKNVAKK 2JLQ Chain:A ((1-451)) GSAMGEPDYEVDEDIFRKKRLTIMDLHPGAGKTKRILPSIVREALLRR----LRTLILAPTRVVAAEMEEALRGLPIRYQTPAVKSDHTGREIVDLMCHATFTTRLLSSTRVPNYNLIVMDEAHFTDPCSVAARGYISTRVEMGEAAAIFMTATPPGSTDPFPQSNSPIEDIEREIPERSWNTGFDWITDYQGKTVWFVPSIKAGNDIANCLRKSGKRVIQLSRKTFDTEYPKTKLTDWDFVVTT--DISEMGANFRAGRVIDPRRCLKPVILTDGPERVILAGPIPVTPASAAQRRGRIGRNPAQEDDQYVFSGDPLKNDEDHAHWTEAKMLLDNIYTPEGIIPTLFGPEREKTQAIDGEFRLRGEQRKTFVELMR-RGDLPVWLSYKVASAGISYKDREWCFTGERNNQILEENMEVEIWTREGEKKK-LRPKWLDARVYA------DPMALKDFKEFAS--GRK

General information: TITO was launched using: RESULT: Template: 2JLQ.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 : 1896 88606 46.73 252.44 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 46.73 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_2JLQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2jlq-query.scw PDB file : Tito_Scwrl_2JLQ.pdb: