Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLLVIGCGGVAQVAISKICQDSET-FTEIMIASRTKSKCDDLKAKLEGKTSTKIETAALDADKV-EEVIALIGSYK---PEAVLNVALPYQDLTIMDACLATGVHYIDTANYEAEDTEDPEWRAIYEKRCKELGFTAYFDYSWQWAYQEKFKEAGLTALLGSGFDPGVTSVFSAYALKHYFDEIHYID------------------IL-------DCNGGD---HGYPFATNFNPEINLREVSAPGSYWEDGKWVEVEAMSIKREYD-------------------FPQVGQKDMYLLHHEEIESLAKNIPGVK---RIRFFMTFGQSYLTHMKCLENVGLLRTDTINFNGQEIVPIQFLKALLPD-PASLGPRTVGKTNIGCIFTGVKDGVEKTIYIYNVCDHQECYAEV-GSQAISYTTGVPAMIGTKLVMNGTWKQAGVYNLEELDPDPFMEALNEYGLPWVVVENPQMVD 4XQC Chain:A ((9-441)) DGPIVMIGFGSIGRGTLPLIERHFAFDRSKLVVIDPSDEA-RKLAEARGV----RFIQQAVTRDNYRELLVPLLT--AGPGQGFCVNLSVDTSSLDIMELARENGALYIDTVVEPWLGFYFDP-------DLKPEARSNYALRETVLAARRN-KPGGTTAVSCCGANPGMVSWFVKQALVN-LAADLGVTGEEPTTREEWARLAMDLGVKGIHIAERDTQRASFPKPFDVFVNTWSVEGFVSEGLQPAELGWGTFERWMPDNARGHDSGCGAGIYLLQPGANTRVRSWTPTAMAQYGFLVTHNESISIADFLTVRDAAGQAVYRPTCH-----YAYHPCNDAVLSLHEMFGS----GKRQSDWRILDETEIV-----DGIDELGVLLYGHGKNAY-WYG--SQLSIEETRRIAPDQNATGLQVSSAVLAGMVWALEN--PNAGIVEADDLDFRRCLEVQTPYLGPVVG--------

General information: TITO was launched using: RESULT: Template: 4XQC.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 : 2122 23063 10.87 61.34 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 10.87 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_4XQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XQC-query.scw PDB file : Tito_Scwrl_4XQC.pdb: