Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRFEI---RDDFYLDGKSFKILSGAIHYFRIPPEDWYHSLYNLKALGFNTVETYVAWNLHEPREGEFHFEGDLDLEKFLQIAQDLGLYAIVRPSPFICAEWEFGGLPAWLLTK-NMRIRSSDPAYIEAVGRYYDQLLPRLVPRLLNNGGNILMMQVENEYGSY-GEDKAYLRAI-RQLMEECGVTCPLFTSDGPWRATLKAGTLIEEDLFVTGNFGSKAPYNFSQMQEFFDEHGK---KWPLMCMEFWDGWFNRWKEPIITRDPKELADAVREVLEQG-SINLYMFHGGANFGFMNGCSARGTLDLPQVTSYDYDALLDEEGNPTAKYLAVKKMMATHFSEYPQLE-PLYKESMELDAIPLVEKVSLFETLDSL--SSPVESLYPQKMEELGQSYGYLLYRTETNWDAEEER--LRIIDG-RDRAQLYVDGQWVKTQYQTEIGEDIFYQGKKKGLSRLDILIENMGRVNYGHKFLADTQRKGIRTGVCKDLHFLLNWKHYPLPLDNPEKIDFS-----KGWTQGQ----PAFYAYDFTVEE-----PKDTYLDLSEFGKGVAFVNGQNLGRFWNV-GPTLSLYIP-HSYLKEGANRIIIFETEGQYKEEIHLTRKPTLKHIKGENL 3THC Chain:B ((9-599)) ---FEIDYSRDSFLKDGQPFRYISGSIHYSRVPRFYWKDRLLKMKMAGLNAIQTYVPWNFHEPWPGQYQFSEDHDVEYFLRLAHELGLLVILRPGPYICAEWEMGGLPAWLLEKESILLRSSDPDYLAAVDKWLGVLLPKMKPLLYQNGGPVITVQVENEYGSYFACDFDYLRFLQKRFRHHLGDDVVLFTTDGAHKTFLKCGAL--QGLYTTVDFGTG-----SNITDAFLSQRKCEPKGPLINSEFYTGWLDHWGQPHSTIKTEAVASSLYDILARGASVNLYMFIGGTNFAYWNGANSPYAA---QPTSYDYDAPLSEAGDLTEKYFALRNII-QKFEKVPEGPIPPSTPKFAYGKVTLEKLKTVGAALDILCPSGPIKSLYPLTFIQVKQHYGFVLYRTTLPQDCSNPAPLSSPLNGVHDRAYVAVDG---IPQGVLERNNVITLNITGKAGATLDLLVENMGRVNYG-AYINDF--KGLVSNLTLSSNILTDWTIFPLDTEDAVRSHLGGWGHR-------NYTLPAFYMGNFSIPSGIPDLPQDTFIQFPGWTKGQVWINGFNLGRYWPARGPQLTLFVPQHILMTSAPNTITVLELE-----------------------

General information: TITO was launched using: RESULT: Template: 3THC.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 : 3137 25088 8.00 46.03 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 8.00 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_3THC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3THC-query.scw PDB file : Tito_Scwrl_3THC.pdb: