Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLLVIGCGGVAQVAISKICQDSETFTEIMIASRTKSKCDDLKAKLEGKTSTKIETAALDADKVEEVIALIGSYKPEAVLNVALPYQDLTIMDACLATGVHYIDTANYEAEDTEDPEWRAIYEKRCKELGFTAYFDYSWQWAYQEKFKEAGLTALLGSGFDPGVTSVFSAYALKHYFDEIHYIDILDCNGGDHGYPFATNFNPEINLREVSAPGSYWEDGKWVEVEAMSIKREYDFP-QVGQKDMYLLHHEEIESLAKNIPGVKRIRFFMTFGQSYLTHMKCLENVGLLRTDTINFNGQEIVPIQFLKALLPDPASLGPRTVGKTNIGCIFTGVKDG-VEKTIYIYNVCDHQECYAEVGSQAISYTTGVPAMIGTKLVMNGTWKQAGVYNLEE-LDPDPFMEALNEYGLPWVVVENPQMVD 3WBB Chain:A ((10-300)) -LRVAVVGYGNVGRYALEAVQAAPD-MELVGVVRRKVL--AATPPEL-------TGVRVVT--DISQLEG--V--QGALLCVPTRS--VPEYAEAMLRRGIHTVDSYDIHGD------------------------LADLRRRLDPVAREHGAAAVISAGWDPGT-DSIIRALLEFMAPKGITYTNFGPGM------------------SMGHSVAVKAIP-GVRDAL-----SMTIPAGMGVHKRAVYVELEPGADF------AEVERAIKTDPYFV------------RD--------ETRVTQVES---VSALM----DVGHGVV-MERKGVSGATHNQLFRFEM--RI---------N-NPALTAQVMVAALRAAAR--Q-KPGCYTMIEIPVIDYLPGDREAW--------------

General information: TITO was launched using: RESULT: Template: 3WBB.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 : 1534 -115626 -75.38 -401.48 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -75.38 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3WBB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WBB-query.scw PDB file : Tito_Scwrl_3WBB.pdb: