Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQ---------KEHNIGYMLQQDYLFPWKSIEENVLLGL--KIADTLT-EESKAAALGLLPEFGLIDVEKKY----PKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH 3TIF Chain:B ((1-218)) --MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLK---MAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERIIYL-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 984 -29476 -29.96 -145.92 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -29.96 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: