Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYLDVIWLLNFCFDALLLLLTAFILKRHVKKRRLVGGAFIGSSIVLLMFTPFSPIVEHPAGKLAFSVVIVVVTFGFKRFRFFFQNLFSFYFA--TFLMGGGIIGAHSLLQSNSIVQNGVMITNQTGFGDPISWLFIVGGFPALWFFSKRRIEDIETKNIQYEERVSVQADLGSQTLHVRGLIDSGNQLYDPLTKTPVMIIYIDKLEPIFGTAETMIIRNTDPLEAIEQLDDSFRFLDKMRLIPYRGVGQQNQFLLCVKPDHVTIMTKEEMISADKCLIGISTTKLSADGEFDAIIHPKMLSGKAVKHVS 3K3G Chain:A ((201-289)) ------------------VIFVVAILVNSRISALFAVIGSLVGLCTALIMHSPETPV---RLGLYGFNSVLCGIAMGGI---FFYLNIRTFLYALGCMVLGAIATGAFSVLLS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K3G.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 : 305 -54379 -178.29 -625.05 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -178.29 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_3K3G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K3G-query.scw PDB file : Tito_Scwrl_3K3G.pdb: