Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEFKFTDLVEPVAVDKKTALRITVLGGGSFGTAMANLAARNGCDTMIWIRDAETAEEINKTHINKRYLPDFTLESSLRAVSDLEQAVCDRDIILVAIPSHSFRDVLKQIAPYIT-AQAVVSLTKGIEAKTFSFMSDIIREELPEVPYGVLSGPNLAKEIMAGMPSGTVIASDSELVRYAVQHALHSALFRVFGSDDVHGVELGGALKNIYAVAMGIGAAYKIGENTKSMILTRALAEMSRFAVKQGANPLTFLGLSGVGDLFATCNSPLSRNYQ-IGY-----ALG-----SGKTLEQASKELGQTAEGINTIVQVRGKAQELDVYMPITNALYEVIFEGAPPLNIALSLMKNGHRSDVEFVLPHHEV 3K96 Chain:A ((27-352)) -----------------PFKHPIAILGAGSWGTALALVLARKGQKVRLWSYESDHVDEMQAEGVNNRYLPNYPFPETLKAYCDLKASLEGVTDILIVVPSFAFHEVITRMKPLIDAKTRIAWGTKGLAKGSR-LLHEVVATELGQVPMAVISGPSLATEVAANLPTAVSLASNNSQFSKDLIERLHGQRFRVYKNDDMIGVELCGSVKNILAIATGISDGLKLGSNARAALITRGLTEMGRLVSVFGGKQETLTGLAGLGDLVLTCTDNQSRNRRFGLALGEGVDKKEAQQAIGQAIE---------GLYN--TDQVHALAQKHAIEMPLTFQVHRILHEDLDPQQAVQELLERS--------------

General information: TITO was launched using: RESULT: Template: 3K96.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 : 1834 -108271 -59.04 -344.81 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -59.04 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_3K96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K96-query.scw PDB file : Tito_Scwrl_3K96.pdb: