Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQVSEKDVTEAINQLGPENHIEEKEDISGHNN-KVFRIKLEERTVICKFCTGENSIQDCRKEVNMNQLLKNQTTIDTREILYSNSSTEKTEFPFFITEYIEGESLQDS-FTELTAEKQVEIIEQAGQILGEVHSKISFQYAGELIPENSNISVNGKTTWIEYITQELTEAVKKAEYTRFSDLTEKAENLVEA-LSK--LEEPERTLVFYDFRPDNVIAES----SRIKALIDFERALSGDPFWDYAYSEMSFVEPHQYYNMHEPPDADEEKLRKAFQRGYEKQMELKENWRQNVKLYKLGILIKRFNSFKGWTESAEMTEEEIRRQEKLLKKGFDKLYQSLDIQ 3TDW Chain:A ((4-276)) ----NKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVN---GDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRS--DGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAF-PVETAISAGVP--------VTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGE-----------------LFTRQVMAYRGEVDLDTH-IRKVSLFVTFDQVSYLLE------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 1175 41784 35.56 158.27 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 35.56 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: