Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MPSITKQIMSGAKWTSISTMCITIIQIVQFALLGNMMTLTEFGLVGMITTVTVFAQIVLDMGFGAALIQRDDATERQLSTLYWLNIMTGVLLFVLLYVSSPVIAGFYQREELVFLVRILAIMFLIAPIGQQYQYMLQKQLHFNTLSKIEIFSNVLSFGYLAIAVFMMDAILA----YVISQVLLQSSKGILYWAVYRKKWHPAFVFDLRGM--KDFFSFGAFQLSSRLVNRLG---ANIDMILIGRFIGAEALGIYNLAYQIVTIPVLKINPIVTRVAFPIFAKNKYENSVIREGFLNMTKMLALVSFPLL-IGLVSVSDAFITAVFGEKWLAAVPILNVLAIVGILRVLMNPNGSVLLAKGRADLAFYWDSGVLLLYGLSLFAAVQTGSLLTVAWVYAIISVVNFLIGRWLLAYVIKLNLSAYFQSIMKPFLITAAMGIIAFGVSLSTEHFSMQAEMRLAISVAAGALCYLFLLVKAYPQTKSKLLRKGRLS 4KRI Chain:C ((1-433)) ASMPAVERQLIECLHHVIKGAEPQQVGILCPQ--------------------DDQRKALTEQFGSKTATSFCKEVDSLKNLSNLDALIVNQALD---EEINDSEKLDKFITAALRSLRTDGVLILRQDLSKVKEMKKMAMLTDYFDVFRLEEGNGNVGFQFYAVNEVLDSVYVHQNWLDFIWTLMKKPFPVSFRDFLDRTQYTDTGIFAYEWIFGNNFISPGGWNQNLAILKRFGPMKTGQRMLDIGVGIGGGARQAASEFG--LQVHGVDLSTNMLAVALERVHKEKDAR----------------VTYAVCDACEYEFEPNSFDYVFSRDCIQHIK--DTDKLFSRIYRALKPGGKVLITMYGV-------GHGTLSESFKEYVSQRQYYLKNLEQIEEIAKKTGFI-------DIEVENMTPRFKEILLEERERIEQDKETFLAKFSQNAYDGLVSGWKSKLQYIADDNHNWNFFAAVKPQ-----------

General information: TITO was launched using: RESULT: Template: 4KRI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2174 -94663 -43.54 -228.10 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain C : 0.57 3D Compatibility (PKB) : -43.54 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_4KRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KRI-query.scw PDB file : Tito_Scwrl_4KRI.pdb: