Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTSINAVLKQLKAEGWNDITLEYINKGVMTDTYKMHTKTKKYVVRCYPNPRRWLAEVEYSYLIDFAKNGIKAPL----PICTNKTESKIAYLIYEWVEGETLNDKF---------TTLNENELKNICIEVVCNYQKINKIKVNKYGGVNKGSIYEYNSWGHFIKAEIEKSRKYFKQTKNIKYIKICNGLFDYIDK-IKEPSPCL---VWSDFSFENIIISK-DNHLAAFIDFEGIMSGDPLLGIGYILSHSPTHPFTRLILEQYNIDRDVEVKKTLDFYAVFRYIRLSPYANFNTPNNTIREPLDVFLPYVNTIDNQFVKECNLFKRIMQITKFMWKKIIILSLTIIACFMALHYTSINYSDVLSKSNVEIPIQNLTKNLRIKDEPPYGLPFLILLFLLIKL 3DXP Chain:A ((41-257)) -------------------LSVEQFKG-QSNPTFKLVTPGQTYVMRAKPG------AIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIG--------------LGDYGKPGNYFQRQIERWTKQYKLSET-ESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGY------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXP.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 : 590 -15476 -26.23 -82.32 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -26.23 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_3DXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxp-query.scw PDB file : Tito_Scwrl_3DXP.pdb: