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 2VPX 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: 2VPX.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 : 3840 -236232 -61.52 -377.97 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -61.52 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_2VPX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VPX-query.scw PDB file : Tito_Scwrl_2VPX.pdb: