Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLKINLDAIERDGASATEGFCADGVRIGSLLVSSEGVRDNQGNSCVLSLSDLEVVPETEGGFLGKGSSGSVRRAVHRGSNKVVALKEIKVTGQTHI-NEIRRELETLHAGDFATPYLVGFYGAFAHEGSVFIAMEAMDG-SLHELYKP---VPPPVLASITRQMLKGLTYLHRTRHLIHRDLKPSNVLYNSRTGDIKISDFGVSSNLECTKADAHSFVGTVTYMSPERLRGEYYSYGADIWSLGLVVAELAVGVCPYAGLRGGSSEARFWALLQHLNGDGAALELPPEMDS-----DLADFISACVVKSPDRRPTCTELLRHPFILRHTAAAPEAEAQPFSTTTSTAPAPGGLFSPLNRASPVAGSAVPLASEGSILKATSPSRAAAAPLPLPSPLERHDGETDADVADRTVVAGWIHAVMARKVLHRARGHGSEDPHLEPLAAVSASTATGLGERGGAAGVSAVSSEDPQVAQLREFRAERNLERHSGDGGSAPVEQDCIAGVRSLTCDDLRRTSTGEPSVNLDDELNRLLF 4ANB Chain:A ((10-282)) ----------------------------------------------------DFEKISE-----LGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECN--SPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSR-GEIKLCDFGVSGQL--IDEMANEFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPRPPM----------AIFELL--DYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ANB.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 : 1334 -18467 -13.84 -70.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -13.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_4ANB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ANB-query.scw PDB file : Tito_Scwrl_4ANB.pdb: