Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNFDIFRFKPFINEALTAKGFKQPTEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKINAE------------KEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAFAFVVDEADMTLDMGFLNEVDQIASR--LPEK--LQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLL-TIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK 5E7M Chain:A ((68-414)) ---------------------YTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKRRKQYPISLVLAPTRELAVQIYEEARKFSYRS--RVRPCVVYGGADIGQQIRDLE-RGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVGRVGSTSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFN-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5E7M.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 : 1637 11038 6.74 34.07 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 6.74 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_5E7M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E7M-query.scw PDB file : Tito_Scwrl_5E7M.pdb: