Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRWILFIGALIGSSICGQEKFFGDQVLRINVRNGDEISKLSQLVNSNNLKLNFWKSPSSFNRPVDVLVPSVSLQAFKSFLRSQGLEYAVTIEDLQALLDNEDDEMQHNEGQERSSNNFNYGAYHSLEAIYHEMDNIAADFPDLARRVKIGHSFENRPMYVLKFSTGKGVRRPAVWLNAGIHSREWISQATAIWTARKIVSDYQRDPAITSILEKMDIFLLPVANPDGYVYTQTQNRLWRKTRSRNPGSSCIGADPNRNWNASFAGKGASDNPCSEVYHGPHANSEVEVKSVVDFIQKHGNFKGFIDLHSYSQLLMYPYGYSVKKAPDAEELDKVARLAAKALASVSGTEYQVGPTCTTVYPASGSSIDWAYDNGIKFAFTFELRDTGTYGFLLPANQIIPTAEETWLGLKTIMEHVRDNLY 1PCA Chain:A ((2-402)) -----------------KEDFVGHQVLRISVDDEAQVQKVKELEDLEHLQLDFWRGPARPGFPIDVRVPFPSIQAVKVFLEAHGIRYTIMIEDVQLLLDEEQEQMFASQGRARTTSTFNYATYHTLEEIYDFMDILVAEHPALVSKLQIGRSYEGRPIYVLKFSTG-GSNRPAIWIDSGIHSREWITQASGVWFAKKITENYGQNSSFTAILDSMDIFLEIVTNPNGFAFTHSDNRLWRKTRSKASGSLCVGSDSNRNWDAGFGGAGASSSPCAETYHGKYPNSEVEVKSITDFVKNNGNIKAFISIHSYSQLLLYPYGYKTQSPADKSELNQIAKSAVAALKSLYGTSYKYGSIITVIYQASGGVIDWTYNQGIKYSFSFELRDTGRRGFLLPASQIIPTAQETWLALLTIMEHTLNN--

General information: TITO was launched using: RESULT: Template: 1PCA.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 : 2382 -197399 -82.87 -492.27 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -82.87 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_1PCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PCA-query.scw PDB file : Tito_Scwrl_1PCA.pdb: