Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSG------RVISN---KKLKMAYVPQKFNPSHSLPLR--VQDLLDLEKCSPALRQEIIQDT----GIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLNKHICCS-GLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 4TQU Chain:S ((5-226)) -------------VSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHP-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TQU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1017 -38001 -37.37 -184.47 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain S : 0.74 3D Compatibility (PKB) : -37.37 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_4TQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQU-query.scw PDB file : Tito_Scwrl_4TQU.pdb: