Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIG-DATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS 2AG8 Chain:A ((27-262)) ------------------------------IYIANRGAEKRE-RLEKELGVETSATLPELHSD-DVLILAVKPQDMEAACKNIR--TNGALVLSVAAGLSVGTLSRYLGGTRRIVRVMPNTPGKIGLGVSGMYAEAEVSETDRRIADRIMKSVGLTVWLDDEEKMHGITGISGSGPAYVFYLLDALQNAAIRQGFDMAEARALSLATFKGAVALAEQTGEDFEKLQKNVTSKGGTTHEAVEAFRRHRVAEAISEGVCACVRRSQEMERQY---------

General information: TITO was launched using: RESULT: Template: 2AG8.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 : 819 -66315 -80.97 -282.19 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -80.97 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_2AG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AG8-query.scw PDB file : Tito_Scwrl_2AG8.pdb: