Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNFDIFRFKPFINEALTAKGFKQP-----TEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKIN----AEKEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAF--AFVVDEADMTLDMGFLNEVDQIASRLPEKLQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLLTIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK 2PL3 Chain:A ((19-227)) INVNEITRFSDFPLSKKTLKGLQEAQYRLVTEIQKQTIGLALQGKDVLGAAKTGSGKTLAFLVPVLEALYRLQWTSTDGLGVLIISPTRELAYQTFEVLRKVGK--NHDFSAGLIIGG--LKHEAERINN--INILVCTPGRLLQHMDE-TVSFHATDLQMLVLDEADRILDMGFADTMNAVIENLPKKRQTLLFSATQTKSVKDLARLSLKNP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PL3.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 : 1008 15971 15.84 81.48 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 15.84 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_2PL3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PL3-query.scw PDB file : Tito_Scwrl_2PL3.pdb: