Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFKFSLAWQILIALILGIVVGAVLHNQPEIKDSIVNNVLTPLGKIFISLIKMIVIPIVFSTLILGIAGVGSTKSLGRLGFKTILYFEIITTIAILVGLFAANIFHPGSGIDMSQLVQTDISQYKHTTEEVQSQSHGIIQTILSLIPTNIISSMAHGEMLPVIFFAVLFGIGLSSLPAT-------TKDPLLNVFHAVSETMFRVTHIIMKYAPVGVFGLIAVTVANFGFASLIPLGKLVVLVYGAILFFALVVLGITAKMFSINIFTLFKILKDELILAYSTASSETVLPRIMQKMEAYGAPKAISSFVIPTGYSFNLDGSTLYQSIAAIFIAQLYGIEMSISQQVILVVTLMITSKGIAGVPGVSFVVLLATLGSVGIP------VEGLAFIAGVDRIMDMARTALNVVGNALAVLVISKWEKQYDYEKAAAYEASLK 3V8G Chain:D ((6-416)) -KYIEYPVLQKILIGLILGAIVGLILGHYGYAHA--VHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAASI-SPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQ----QFQ------PHQAPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKICNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVCAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE----------------

General information: TITO was launched using: RESULT: Template: 3V8G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1853 -295818 -159.64 -743.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain D : 0.84 3D Compatibility (PKB) : -159.64 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3V8G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V8G-query.scw PDB file : Tito_Scwrl_3V8G.pdb: