Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFKFSLAWQILIALILGIVVGAVLHNQPEIKDSIVNNVLTPLGKIFISLIKMIVIPIVFSTLILGIAGVGSTKSLGRLGFKTILYFEIITTIAILVGLFAANIFHPGSGIDMSQLVQTDISQYKHTTEEVQSQSHGIIQTILSLIPTNIISSMAHGEMLPVIFFAVLFGIGLSSLPAT-------TKDPLLNVFHAVSETMFRVTHIIMKYAPVGVFGLIAVTVANFGFASLIPLGKLVVLVYGAILFFALVVLGITAKMFSINIFTLFKILKDELILAYSTASSETVLPRIMQKMEAYGAPKAISSFVIPTGYSFNLDGSTLYQSIAAIFIAQLYGIEMSISQQVILVVTLMITSKGIAGVPGVSFVVLLATLGSVGIPV------EGLAFIAGVDRIMDMARTALNVVGNALAVLVISKWEKQYDYEKAAAYEASLK 3KBC Chain:B ((6-416)) -KYIEYPVLQKILIGLILGAIVGLILGHYGYAHA--VHTYVKPFGDLFVRLLCMLVMPIVFASLVVGAASI-SPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQ----QFQ------PHQAPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE----------------

General information: TITO was launched using: RESULT: Template: 3KBC.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 : 2019 -328502 -162.71 -825.38 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -162.71 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_3KBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KBC-query.scw PDB file : Tito_Scwrl_3KBC.pdb: