Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKFSMEKENRGKNMAIPKYQYIKDELKNKIISGQFSSGDKFYTEAELISMYDVSSITVVRALNDLAKDGYIVRQQGKGTFVSRARKHKLVE---FSDIELFNAKDDKVTVLSI-ERGNKLVYLEKLGLRGDQFYYKIERIRESNGVVYIYHTSYIPEQYINANYPNLEYYSSIYNRFKLDYHIHMNDEHFEEINEIVFPTPEHAASVLGVDEQFPTVLQTKITKLESTGQVLEYSETYKRSDYYKIKFISCDRDH 3BWG Chain:C ((6-236)) ------------------KYQQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYISLLS------LEDFNVTSKVIELDVRKPTPEAAENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIVTYLNN-EIVSHSIFHYIREGLGLKIG--FSDLFLHVGQLN-EEEAEYLGLEAGLPKLYIESIFHLT-NGQPFDYSKISYNYEQSQFVVQANS---

General information: TITO was launched using: RESULT: Template: 3BWG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 963 -15278 -15.87 -69.45 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -15.87 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_3BWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWG-query.scw PDB file : Tito_Scwrl_3BWG.pdb: