Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDTRENWTSRSGFIIAAVGSAVGLGNIWRFPYVAYENGGGAFLIPYLLALITAGLPLLFLDYAVGH----RSTGSPPKAYRALFKG--GETLGWWQVCVCIIIGLYYASVLTWA-GSYVYFSIGQMW----GSDPEGF------FFNTYLQTTKATGFDLQFVGHLFWPIVGIWAL--TLIILYGGVKKGVELSNKIFMPLLFILFTILVIQS--LRLPG--AVQGLNAFFTPNWSAMMDYKVWLAAYGHTFFSLSVGFGIMVTYASYLKPKTNLTGSGLIVGFANASTEILAG--IGIFAALGFMAHAAGTEVKDVVSGGIGLAFIAFPKIISSLGSGADLFGLLFFSSLFVAGISSMVSILEVPIAAMQDKLKWGRKKAVTIIGGGSALVSIILFSSVNAI---KLVDIVDHFINNIGIIGGALLSIISVAWFKRSALKELRDHVNRISTIQLGKGWDFTLTVITSLILLTTLCMTVFNLIKNGYDTYSMSLQGVFGWGSVIFCAVVAIVLSKMKDR 2QB4 Chain:A ((5-466)) ----REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVVAIYYVYIESWTLGFAIKFLVGLVPEPPP-TDPDSILRPFKEFLYSYIGVPK--GDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAK--AGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSS-IAIMQPMIAFLEDELKLSRKHAVLWTA------AIVFFSAHLVMFLNKSLDEMDFWAGTIGVVFFGLTELIIFFWIFGA--DKAWEEINRGGIIKVPRIYYYVMRYITPAFLAVLLVV------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QB4.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 : 2454 -293150 -119.46 -678.59 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -119.46 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_2QB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QB4-query.scw PDB file : Tito_Scwrl_2QB4.pdb: