Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------MELVLPNNYVALEQEEMMYLDGGFSILRWPVATAINIAFNGVLGGGAISLVRNYIRNYGLGRVTSAIAGAAARYVGVRVANRVAGFALSAINGFAAWMSIGDAITTIWANNDVNRRDPNLNALW----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4LLG Chain:F ((6-612)) QSQLKLLVTRGKEQGYLTYAEVNDHLPEDIVDSDQIEDIIQMINDMGIQVMGRTTDPVRMYMREMGTVELLTREGEIDIAKRIEDGINQVQCSVAEYPEAITYLLEQYDRVEAEEARLSDLITGFVDDPELAREKFAELRAQYVVTRDTIKATAQEEILKLSEVFKQFRL------------------VPKQFDYLVNSM--RVMMDRVRTQERLIMKLCVEQCKMPKKNFITLFT-----GNETSDTWFNAAIAMNKPWSEKLHDVSEEVHRALQKLQQIEEETGLTIEQVKDINRRMSIGEAKARRAKKEMVEANLRLVISIAKKYTNRGLQFLDLIQEGNIGLMKAVDKFEYRRGYKFSTYATWWIRQAITRSIADQARTIRIPVHMIETINKLNRISRQMLQEMGREPTPEELAERMLMPEDKIRKVLKIAKEPISMETPIGDDEDSHLGDFIEDTTLELPLDSATTESLRAATHDVLAGLTAREAKVLRMRFGIDMNTDYTLEEVGKQFDVTRERIRQIEAKALRKLRHPSRSEVLRSFLD

General information: TITO was launched using: RESULT: Template: 4LLG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 146 -4168 -28.54 -42.10 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain F : 0.55 3D Compatibility (PKB) : -28.54 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.009

(partial model without unconserved sides chains): PDB file : Tito_4LLG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LLG-query.scw PDB file : Tito_Scwrl_4LLG.pdb: