Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTSINAVLKQLKAEGWNDITLEYINKGVMTDTYKMHTKTKKYVVRCYPNPR-RWLAEVEYSYLIDFAKN-GIKAPLPICTNKTESKIAYLIYEWVEGETLNDK-FTTLNENELKNICIEVVCNYQKINKIKVNKYGGVNKGSIYEYNSWGHFIKAEIEKSRKYFKQTKNIKYIKICNG-LFDYIDK--IKEPSPCLVWSDFSFENIIISK---DNHLAAFIDFEGIMSGDPLLGIGYILSHSPTHPFTRLILEQYNIDRDV-EVKKTLDFYAVFRYIRLSPYANFNTPNNTIREPLDVFLPYVNTIDNQFVKECNLFKRIMQITKFMWKKIIILSLTIIACFMALHYTSINYSDVLSKSNVEIPIQNLTKNLRIKDEPPYGLPFLILLFLLIKL 3TDW Chain:A ((20-281)) -----------------SIQSVESLGEGFRNYAILVN---GDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVP----VTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCG-E-LFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRAR-----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 1133 -29467 -26.01 -116.93 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -26.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: