Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLGKKLSVAVAASFMSLSISLPGVQAAEGHQLKENQTNFLSKNAIAQSELSAPNDKAVKQFLKKNSNIFKGDPSKRLKLVESTTDALGYKHFRYAPVVNGVPIKDSQVIVHVDKSDNVYAVNGELHNQSAAKTDNSQKVSSEKALALAFKAIGKSPDAVSNGAAKNSNKAELKAIETKDGSYRLAYDVTIRYVEPEPANWEVLVDAETGSILKQQNKVEHAAATGSGTTLKGATVPLNISYEGGKYVLRDLSKPTGTQIITYDLQNRQSRLPGTLVSSTTKTFTSSSQRAAVDAHYNLGKVYDYFYSNFKRNSYDNKGSKIVSSVHYGTQYNNAAWTGDQMIYGDGDGSFFSPLSGSLDVTAHEMTHGVTQETANLIYENQPGALNESFSDVFG-----YFNDTEDWDIGEDI---TVSQPALRSLSNPTKYNQPDNYANYRNLPNTDEGDYGGVHTNSGIPNKAAY----------NTITKLGVSKSQQIYYRALTTYLTPSSTFKDAKAALIQSARDLYGST--DAAKVEAAWNAVGL 4OI5 Chain:E ((5-315)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STVGVGRGVLGDQKNINTTYST-YYYLQDNTRGNG--IFTYDAKYRTT-LPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSK----RYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGV

General information: TITO was launched using: RESULT: Template: 4OI5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1712 -78873 -46.07 -271.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.70 3D Compatibility (PKB) : -46.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4OI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OI5-query.scw PDB file : Tito_Scwrl_4OI5.pdb: