Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKNGELKPGDKLDSVQALAESFQVSRSAVREALSALKAMGLVEMKQGEGTYLKEFELNQISQPLS-AALL---MKKEDVKQLLEVRKLLEIGVASLAAEKRTEADLERIQDALKEMGSIEADGELGEKADFAFHLALADASQNELLKHLMNHVSSLLLETMRETRKIWLFSKKTSVQRLYEEHERIYNAVAAGNGAQAEAAMLAHLTNVEDVLSGYFEENVQ 1HW1 Chain:A ((19-228)) SIWNNRFPPGTILPAERELSELIGVTRTTLREVLQRLARDGWLTIQHGKPTKVNNFWETSGLNILETLARLDHESVPQLIDNLLSVRTNISTIFIRTAFRQHPDKAQEVLATA-N---EVADHADAFAELDYNIFRGLAFASGNPIYGLILNGMKGLYTRIGR-H--YFA-N-PEARSLALGFYHKLSALCSEGAHDQVYETVRRYGHESGEIWHRMQK----

General information: TITO was launched using: RESULT: Template: 1HW1.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 : 767 -52122 -67.96 -253.02 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -67.96 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_1HW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HW1-query.scw PDB file : Tito_Scwrl_1HW1.pdb: