Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFSPQQPMRNYPQPGPPRPMPNQRMMGRRPPNMRGPSFGAQQQGFQQAGQFLPQANAGARNGAGAGGGLKGMLSRFLPGGGGAGSAGVPGIPGAGAAASGGAGLQGIQNIANP-ASLSSMLGNVQKVLGMAQQVTPMIQQYGPLVRNLPAMMKLYSQLSKS-DDTETEANEESEKQSVSEESSEKEKETETKTSDGNKKS----KPKSSSLPKKSKTTDNKEQELKTSA-PKKKEAASPAPKRTSGSSKPRLY-I-------- 4NQI Chain:A ((14-243)) -------------------NPVIEITLKTINNLKVNSPPLFTEVIKAANKYQQQAQALSQAGLVLADTLTRLTIH-----------------------NGGDFGEGFKKLADAIKDLENRRDDVAKVL-LNEFITPNKQAIEDDQKAIATFEKNYKKDRDQMRQDILKLEAKTRKAGKITELNDKIKESEQLNANKLRDVVLMERRKHATFLSQFNQFLEKEIELSADTMSKFSTNLNTHRDLINSQSQLPLEMESMISKQER

General information: TITO was launched using: RESULT: Template: 4NQI.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 : 499 64893 130.05 318.10 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 130.05 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4NQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NQI-query.scw PDB file : Tito_Scwrl_4NQI.pdb: