Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRRELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLRELFQT-KNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEIAERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHPLKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPSGMAPITYNERVADVIAARKKVERGIATQADRAALSGNRPITSNYFDLSQLEDYWSERRLNHHTEATTMLYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLFGDDSCKMPVVTCVEIPGGIDGESVRDMLLAQFGIEIASSFGPLAGKIWRIGTMGYSCRKENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYENAGRQAAV 2YRI Chain:B ((3-350)) -------------LLTPGPTPIPERVQKALLRPMRGHLDPEVLRVNRAIQERLAALFDPGEGALVAALAGSGSLGMEAGLANL--DRGPVLVLVNGAFSQRVAEMAALHGLDPEVLDFPPGEPVDPEAVARALKRRRYRMVALVHGETSTGVLNPAEAIGALAKEAGALFFLDAVTTLGMLPFSMRAMGVDYAFTGSQKCLSAPPGLAPIA-------------------ASLEARKAFTGKR---GWYLDLARVAEHW-ERGGYHHTTPVLLHYALLEALDLVLEEGVAARERRAREVYAWVLEELKARGFRPY-PKASPLPTVLVVRPPEGVDADRLVRALYAE-GVAVAGGIGPTRGQVLRLGLMGEGARREAYQAFLKALDRAL-----------------------------

General information: TITO was launched using: RESULT: Template: 2YRI.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 : 2214 -74276 -33.55 -214.05 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -33.55 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_2YRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YRI-query.scw PDB file : Tito_Scwrl_2YRI.pdb: