Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKIKKKKLFIPIIILVLTAFLALIGYISIIFLGHYVIDEKKLILHASSKIVDQNGDEVASLYTENREPVSINEIPKQVREAFIAVEDKRFYEHHGIDAKSVGRAVYRDILAGGKVEGGSTITQQLAKNIFLTHDKTFLRKTKEVIIAINLERDYSKDKLLEMYLNQLYFGHGVYGIQAASHYYFNKEVKDLTVSEGAVLAAIPKAPSTYSPILHPDKNKERRDTILGMMNDQGYISAKEAVTAQGRTLGLHVKKQSETPWFDSYIDLVIKEAEDKYSISGEQLLQGGYTIKVPLDSKLQKTAYQVMKEGSYYPGTDQNAEGSAVFINNKTGGVEAAIGGRDYTSK---GYNR-VTAVRQPGSTFKPLAVYGPAMQEKKFKPY-SLLKDELQSY-GDYTP-KNYDSRYEGEVTMSDAITYSKNAPAVWTLNEIGVETGKSYLKANGIDIPDEGLALALGG------LEKGVSPLQLAGAFHTFAANGTYTEPFFISSIIDEDGETIADHKEEGKRVFSKQTSWNMTRMLQQVVKKGTATSGTYHGDL--AGKTGSTSYTG--VSGATK-------DAWFAGYTPKITGAVWMGYDKTDQNHYLKAGSSYPTRLFKDILTQAGETGHVFTKPKNVKELESPIELKPVKTLTADYTFKAAGLFTIELKWDAQEDDRAVYRIYVNKDGEETLLDSVEGKGSYEIPYANLFSGASYKIVPYNTQTKREGEGTDYVQPKLFSS 2C5W Chain:B ((6-334)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YMDNYLKEVINQVEEE---TGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYAAFANGGTYYKPMYIHKVVFSDGSE-KEFSNVGTRAMKETTAYMMTDMMKTVLTYGTGRNA-YLAWLPQAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGY------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2C5W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1679 -75477 -44.95 -247.47 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -44.95 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_2C5W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C5W-query.scw PDB file : Tito_Scwrl_2C5W.pdb: