Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKAIQSSMWREFGLMCTVGIGDNMLLSKLALDLESKKTKSGIARWRYEDVPNRLWKVRPLSKMWGIGGRMERNLNRMGISTVGQLAKFPLELLEKKFGIMGNQLYYHAHGIDLSEIGAPLMQGQISFGKSQILFRDYTKREEIKAVLLEICEEVARRARTYN--KVGRTISLGIGYSKDELGGGFHRSKTIDFPTNITMDIYKCCLMFFNKFYSGKKQ 4Q45 Chain:F ((123-329)) IAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPN---GQFVITPAEVPAFL-QTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSE--RLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQGVKLKFDDFQ---Q--TTQEHVWPRLNKADLIATARKTWDERRGGRG-

General information: TITO was launched using: RESULT: Template: 4Q45.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 666 -55189 -82.87 -269.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain F : 0.71 3D Compatibility (PKB) : -82.87 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_4Q45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q45-query.scw PDB file : Tito_Scwrl_4Q45.pdb: