Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLL--WVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFS----MQTIPVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRER-IQPKKR----K-K--QGIKKTLSV-LFKNKPLLMLISSFLAFAIGFNIKLSTMVYYFTYNV---NHKE-FVFMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITAALSLIS-YAGLHFTPYSSIPLIFIWLF-ASGFFTTPLNTLAWGMVADCVDYAEWKTGIRADGVVISS-MSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 2CFQ Chain:A ((9-379)) --------------------------FWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTGIIFAAISLFSLLFQPLFGLLSDK----LGLRKYLLWIITGMLVMFAPFFIFIFGPLL-----QYNILVGSIVGGIYLGFCFNAGAPAVEAFIEKVS---RRSNFEFGRARMFGCVGWALGASIVGIMFT--------INNQFVFWLGSGCALILAVLL-FFAKTDAPSSATVANAVGANHSAFSLKL-ALELFRQPKLWFLSLYVIGVSCTYDVFDQQFANFFTSFFATGEQGTRVFGYVTTMGELLNASIMFFAPLIINRIGGKNALLLAGTIMSVRIIGSSFA-T-SA-L-EVVILKTLHMFEVPFLLVGCFKYITSQFE-------VRFSATIYLVCFCFFKQLAMIFMSVLAGNMYESIGFQ-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CFQ.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 : 1587 -291121 -183.44 -834.16 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -183.44 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_2CFQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CFQ-query.scw PDB file : Tito_Scwrl_2CFQ.pdb: