Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTERLLRYFRDKQQDVQSEKTYDTQCPFCSMQCKMQLVEQTIVTRKKYTAIGID-NPTTQGRLCIKGMNAHQHALNSSRITRPLLK------KNGEFMPVSWEEALNHIKDQVTMIQTEHGHDAMAVYGSASITNEEAYLLGKFARVGLQTKYIDYNGRLCMSAAATAANQTFGADRGLTNPLSDIPHTRVIILAGTNIAE-CQPTIMPYFEKAKENGAYFIAIDPRETATTKIADLHLKIKPGTDAALANGLVKIIIDEQLINEDFIQSRTNGFEELKQHTDSLDLNDIAEQTSVSLVDIRKAAVKF-AKETSGMLFTARGIEQQTDGTAAVKGFLNMVLITGKIGKPYSGYGAIT-----------GQGNGQGAREHGQKADQLPGYRSIENEEHRAHIAKVWGIHQDELPRKGVSAYEMMEKINDGD---IKGLFLMCSNPAVSSPNANLVKKALRRLTFFVAIDLFISETAKYADVILPASSYLEDEGTMTNVEGR---VTLREASRPCPGEAKHDWQIICDLASALGKGRYFSYTSAEDIFNELREASRG-GIADYSGISYGRLRREGGIHWPCPESDHPGTGRL-------FTESFAHPDQKAALSVIPNEPPVPKEKPTADYPLYLTTGRVMSHYLTGVQTRKSAALAARHFESFMEIHPQTAATYNIE--DRVLVKIESPRGSITVRSKLSEQIRKDTVFVPIHWADAQNVNDLIGEALDPACKMPGFKVCAVRIIPI 2VPY Chain:A ((35-695)) ----------------QEVKSVYQICEGCFWRCG---IVAHAVGNRVYKVEGYEANPKSRGRLCPRGQGAPQTTYDPDRLKRPLIRVEGSQRGEGKYRVATWEEALDHIAKKMLEIREKYGPEAIAFFGHGT---GDYWFVDFLPAAWGSPNAAKPSVSLCTAPREVASQWVFGRPIGGHEPI-DWENARYIVLIGHHIGEDTHNTQLQDFALALKNGAKVVVVDPRFSTAAAKAHRWLPIKPGTDTALLLAWIHVLIYEDLYDKEYVAKYTVGFEELKAHVKDFTPEWAEKHTEIPAQVIREVAREMAAHKPRAVLPPTRHNVWYGDDTYRVMALLYVNVLLGNYGRPGGFYIAQSPYLEKYPLPPLPLEPAAGGCSGPSGGDHEP-----EGFKPRADKGKFFA--------RSTAIQELIEPMITGEPYPIKGLFAYGINLFHSIPNVPRTKEALKNLDLYVAIDVLPQEHVMWADVILPEATYLERYDDFVLVAHKTPFIQLRTPAHEPLFDTKPGWWIARELGLRLGLEQYFPWKTIEE-YLETRLQSLGLDLETMKGM--GTLVQRGK---PWLE-DWEKEGRLPFGTASGKIELYCQRFKEAGHQPLPVFTP-PEEPPEGFY--RLLYGRSPVH--TFARTQNNWVLMEMDPENEVWIHKEEAKRLGLKEGDYVMLVNQDGVKEGPVRVKPTARIRKDCVYI-------------------------------------

General information: TITO was launched using: RESULT: Template: 2VPY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3584 -223455 -62.35 -357.53 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -62.35 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_2VPY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VPY-query.scw PDB file : Tito_Scwrl_2VPY.pdb: