Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTQELDELAHSEAGAFITKSCTINERKGNPEPRYFDVPLGSINSMGLPNLGFSYYLEYALAYEKVQENQNQPLFFSIAGMSVQENLEMLEKI----EKSGFNGITELNLSCPNVPGKPQLAYDFEATYETLKEVFSIFSKPLGIKLPPYFDFAHFDQMADILNQFPLT-YVNAINSVGNGLYIDTEQEAVVIKPKEGFGGIGGEYIKPTALANVRAFYTRLKPEIQIIGTGGIRTGQDAFEHLLCGASMLQIGTELHKEGPEIFSRIIKELTQIMSEKGYTSIDEFKGKLRTIS 3W87 Chain:B ((27-313)) -TEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYA---SDLHDYSKKPLFLSISGLSVEENVAMVRRLAPVAQEKGV--LLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRC-PDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTI-

General information: TITO was launched using: RESULT: Template: 3W87.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 : 1501 -49867 -33.22 -176.83 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -33.22 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_3W87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W87-query.scw PDB file : Tito_Scwrl_3W87.pdb: