Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLLVIGCGGVAQVAISKICQDSETFTEIMIASRTKSKCDDLKAKLEGKTSTKIETAALDADKV-EEVIALIGSYKPEAVLNVALPYQDLTIMDACLATGVHYIDTANYEAEDTEDPEWRAIYEKRCKELGFTAYFDYSWQWAYQEKFKEAGLTALLGSGFDPGVTSVFSAYALKHYFD----EIHYIDILDCNGGD--H---GYPFATNFNPEINLREVSAPGSYWEDGKWVEVEA----MSIKREY-DFPQVGQKDMYLLHHEEIESLAKNIP--GVKRIRFFMTFGQSYLTHMKCLENVGLLRTDTINFNG--------------------------------------------------------QEIVPIQFLKALLPDPASLGPRTVGKTNIGCIFTGVK-DGVEKTIYIYNVCDHQECYAEVGSQAISYTTGVPAMIGTKLVMNGTWKQAGVYNLEE-LDPDPFMEALNEYGLPWVVVENPQMVD 5O1N Chain:A ((52-493)) -RKVLVLGSGYISEPVLEYLSRDGN--IEITVGSDMKNQIEQLGKKYN------INPVSMDICKQEEKLGFLVA--KQDLVISLLPYVLHPLVAKACITNKVNMVTASYITP----------------------------ALKELEKSVEDAGITIIGELGLDPGLDHMLAMESIDK-AKEVGATIESYISYCGGLPAPEHSNNPLRYKFSWSPVGVLMNVMQSATYLLDGKVVNVAGGISFLDAVTSMDFFPG---LNLEGYPNRDSTKYAEIYGISSAHTLLRGTLRYKGYMKALNGFVKLGLINREALP---EANPLTWKQLLCDLVGISPSSEHDVLKEAVLKKLGGDNTQLEAAEWLGLLGDEQVPQAESILDALSKHLVMKLSYGPEEKDMIVMRDSFGIRHPSGHLEHKTIDLVAYG----DINGFSAMAKTVGLPTAMAAKMLLDGEIGAKGLMGPFSKEIYGPILERIKAEGIIYTTQS------

General information: TITO was launched using: RESULT: Template: 5O1N.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 : 1675 -65731 -39.24 -181.08 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -39.24 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_5O1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5O1N-query.scw PDB file : Tito_Scwrl_5O1N.pdb: