Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKLEQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFINKP-QKVKPWVIQLLRLSLYQMEYLEKIPDRAAIHEAVEIAKIRGHKGIASFVNGVLRSIQREGVPSFDAIEDPVRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKGDLAEDAVKLLK-GTIAGTHFFQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGLTIIHAETMDARKAGETFENEQFDRILVDAPCSGFGVIRRKPDMKYTKKPDDSARLAEIQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKRLPEKVRPFVRDGRLQILPHYFGTDGFFICSMRKKG 1SQG Chain:A ((5-428)) ---RNLRSMAAQAVEQVVEQGQSLSNILPPLQQ--KVSDKDKALLQELCFGVLRTLSQLDWLINKLMARPMTGKQRTVHYLIMVGLYQLLYT-RIPPHAALAETVEGAIAIKRPQLKGLINGVLRQFQRQQEELLAEFNAS----DARYLHPSWLLKRLQKAYP-EQWQSIVEANNQRPPMWLRINRTHHSRDSWLALLDEAGMKGFPHADYPDAVRLETPAPVHALPGFEDGWVTVQDASAQGCMTWLAPQNGEHILDLCAAPGGKTTHILEVAPE-AQVVAVDIDEQRLSRVYDNLKRLGMKATVKQ-GDGRYPSQWCGEQQFDRILLDAPCSATGVIRRHPDIKWLRRDRDIPELAQLQSEILDAIWPHLKTGGTLVYATCSVLPEENSLQIKAFLQRTADAELCETGTPEQPG----------KQNLPGAEEGDGFFYAKLIK--

General information: TITO was launched using: RESULT: Template: 1SQG.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 : 2306 -174338 -75.60 -413.12 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -75.60 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_1SQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQG-query.scw PDB file : Tito_Scwrl_1SQG.pdb: