Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------MNKNKRKQKHMSLLKEGIKMKDTGSSKQITTMTFIGMTCALVASVRNIPDVAATSWTMIFYMLVAVLLYAFPISLISGEFAGMFPQKGGPELWVSNALGKKWGFVVS------------WLLWVQ------MFPGMVMVASALAPLFGNIIDNVPLGLNSKFTLVVILVVYWIITFLNLK-----FDMAKIGGKV-GVWLGLYVPLTMMLLLGFAAWIK--------VGIVPTGTLGSFS-----WDKLIPDTTTASS--FVYFAPIMFIFTGIEMSSVYITRLENPVKTYIRGVFAALIFIF--------FVNILNALVVANVVPKGQMELNNIAQSISIYCQILG----LPHLIVNLFSLLVF----------------------IGVAVQLSAWASGPAKTVTESARK--------GAYPPKFNFWKT---NQFDVSKSVILTQSVIISIFALFYLLI-----PGVNQAFLMLVNSTTVIY-CIVYVIMGIAVLRLRYTHAKLNRPFRIGKKEKKSNLGVWTVVIVLFAAIGFSVGLTMKAGTWIN-------------------LIAVTAISV--------ILFVVPLCIEKIKKPSWEQEVAMLLEKEKGELDGKTGNETDSN------------------------------- 2PGG Chain:A ((31-804)) LLIPKVWVPPEDPLASPSRLAKFLRENGYKVLQPRSLPENEEYETDQILPDLAWMRQIEGAVLKPTLSLPIGDQEYFPKYYPTHRPSKEKPNAYPPDIALLKQMIYLFLQVPEANEGLKDEVTLLTQNIRDKAYGSGTYMGQATRLVAMKEVATGRNPNKDPLKLGYT--FESIAQLLDITLPVGPPGEDDKPWVPLTRVPSRMLVLTGDVDGDFEVEDYLPKINLKSSSGLPYVGRTKGETIGEMIAISNQFLRELSTLLKQGAGTKGSNKKKLLSMLSDYWYLSCGLLFPKAERYDKSTWLTKTRNIWS---APSPTHLMISMITWPVMSNSPNNVLNIEGCPSLYKFNPFRGGLNRIVEWILAPEEPKALVYADNIYIVHSNTWYSIDLEKGEANCTRQHMQAAMYYILTRGWSDNGDPMFNQTWATFAMNIAPALVVDSSCLIMNLQIKTYGQGSGNAATFINNHLLSTLVLDQWNLMRQPRPDSEEFKSIEDKLGINFKIERSIDDIRGKLRQLVLLAQPGYLSGGVEPEQSSPTVELDLLGWSATYSKDLGIYVPVLDKERLFCSAAYPKGVGIEQAYKVVRYEALRLVGGWNYPLLNKACKNNAGAARRHLEAKGFPLDEFLAEWSELSEFGEAFEGFNIKLTVTSESLAELNKPVPPKPPNVNRPVNTGGLKAVSNALKTGRYRNEAGLSGLVLLATARSRLQDAVKAKAEAEKLHKSKPDDPDADWFERSETLSDLLEKADIASKVAHSALVETSDALEAV

General information: TITO was launched using: RESULT: Template: 2PGG.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 : 2574 -104116 -40.45 -205.76 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -40.45 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_2PGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PGG-query.scw PDB file : Tito_Scwrl_2PGG.pdb: