Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------MPGRSCVALVLLAAAVS---CAVAQHAPPWTEDCRKS-TYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKVIVNSLKNMINTFVPSGK-----IMQVVDEKLPGLLGNFPGPFEEEMKGIAAVT---DIPLGEIIS---------FNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDF-QRNNKTVFKASSFAGYVGMLTGFK----------------PGLFSLTLNERFSINGGYLGILEWI-------LGK-KDVMWIGFLTRTVLENSTSYEEAKNLLTKTKILAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDRWKHPFFLDDRRTPAKMCLNRTSQENISFETMYDVLSTKPVL------NKLTVYTTLIDVTKGQFETYLRDCPDPCIGW------------------------------------------------------------ 4XGC Chain:C ((1-676)) MQPFYEEYRKAWNQINDHIADLQHRSYARTLEQLVDFVVGQAERDEVLPTAALLTGINQPDHLSQFTALTQRLHAQRAAMVCVLQSRDCATLKAAVETLVFGLVEDNAEVEQLRRSQCTMKQLKSWYTNNFDSEQKRRQLVVILPDFECFN--ASVLQDLILILSAHCGSLPFVLVLGVATAMTAVHGTLPYHVSSKIRLRVFQTQAAPTGLNEVLDKVLLSPKYAFHLSGKTFKFLTHIFLYYDFSIHGFIQGFKYCLMEHFFGGNAFALCTDYSKALGRIKQLTHEDMETIRRLPSFRPYVEQINDCKRIIAVLTDDDYLKKKLPQLLRDCLLHFLLFRCSLEFLTELVGDLPRCPLGKLRRELYVNCLNRAIIS-TPEYKECLQMLSFL----------SKDEFVAKVNRALERTEQFLVEEIAPLELGEACTAVLRPKLEAIRLAVDEVGRALQKTLQLIETQIVQDHLRALQDAPPIHELFVFSDIATVRRNIIGAPRAALHTALNNPHFPDLSVVYKLHLECGRMINLFDWLQAFRSVVPQIQARFTRAVAELQFLGYIKMSKRKTDHATRLTW

General information: TITO was launched using: RESULT: Template: 4XGC.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 : 1538 -48630 -31.62 -127.30 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -31.62 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: