Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------MVKSPDLPVLPGSDQVAPASAIWSSETWRW---------------------EAVRWMDTALARRGLERVPT-----------------------TPLQPRVRPWSTVLVAETTDQGRV-----WF---KATSPEM--SPEAAILRALRSVTPDAVPVVW--ADDPERGWLLMPDQGPVLRDVQRDDDAVSLMSSVVRRYARLQRSSTRVV------------DQLRDA------------GVPDMSP------------------RESARRWQRLGLKPDTT---REVRRAA-----QRLDAVGLPLTIQHDDLHAGNVFADGTSAGAHDARIFDWGDASVGNPLCSLLVPLERIGEGLDDDAARAARERILRAY-LSVWSDVVSSTALSAAVDDALLI----ARVGRVFTWQRALTRASADERHAWGVHGRRLIAEINRSLGHAPEPSHD------------ 4NNB Chain:A ((4-527)) TSLYITAAPIGAVPKFLDPFEATFIPSFLLEGFFDADRCASIAADLKTDGWEVVPAGGRLLQVGHAQPIAHFPKPWLAALSNKLARRIVLQLTTYGWIVSEQGDLLWEHERQHHYLPPALIEAIEKESPALLKNMEEAGWIACAAGYWQAGKARSPYLPITPEAITEETIRSMRAGAAVVHLHTRDLSDRRRIEIPGLGVVTVGSQRNQIVLDDYDAIVPMVKKREPAAILNLSTSVRGDRHGARSKLRRAHLKFYDDVGSAPEVASLSPAAVVFQGGGGYDNAPDFLDAQFDHFERVGTRPEVEVFNHAIVDNATSLYRDRLLRTGKPVLFMLVAGVDQYRRDPITGEVEDDSLIARVVREEISSLLADESADSHRRAVELAIGQLRPVVERLRASFPVSKISILLPGPMQNLLVDVALGLGLDGIRVGLEDGLTVNDARVPGGVRKARG--TWEQVSLVREELLGRGATILTAAQVRDMFGLGI

General information: TITO was launched using: RESULT: Template: 4NNB.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 : 1622 57853 35.67 171.16 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 35.67 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_4NNB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4nnb-query.scw PDB file : Tito_Scwrl_4NNB.pdb: