Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQLRAELSHLLGE--KLSRIECVNEKADTALWALYDSQGNPMPLMARSFSTPGKARQLAWKTTMLARSGTVRMPTIYGVMTHEEHPGPDVLLLERMRGVSVEAPA---RTPERWEQLKDQIVEALLAWHRQDSRGCVGAVDNTQENFWPSWYRQHVEVLWTTLNQFNNTGLTMQDKRILFRTRECLPALFEG-FNDNCVLIHGNFCLRSMLKDSRSDQLLAMVGPGLMLWAPREYELFRLMDNSLAEDLLWSYLQRAPVAESFIWRRWLYVLWDEVAQLVNTGRFSRRNFDLASKSLLPWLA 3DXP Chain:A ((25-259)) --ALEAWMRQHVEGFAGPLSVEQFKG-QSNPTFKLVTPGQ---TYVMRAKPG--AIEREYRVMDALAG-TDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQA-IGLG---DYGKPGNYFQRQIERWTKQYKL---S--ETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHC-------------------------------------------------------------

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 : 871 -19766 -22.69 -90.67 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -22.69 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.269

(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: