Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTEPDKRALAEFISTVVGS-PATELVPLPGSVANLDYLVRAADHRRFIVKIGPRS---EMVAEAWACRRLARIGVPVPEVVSLEQDHGDA--GVAVLILSFLPGVPSDAP-------------------VIFGEAGRAIRHVHAQQLPGWGPLIVEADGHRARGRFDSWREYVLDELSGLPELVTAGVIDARLAVAARDCVAVEEVLGYRGQGVLLHNDLKPAHLFALEDGGQMRLAGIIDWGDAGVGDPLVDLARLSMS-GPEALQAFSAGYGIELTPTLHRTLARYRILHNVGALAYEHRAGGDWFDLYRERVRRDTELLVDLAAPS 3TDW Chain:A ((4-254)) -----NKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVN----GDWVFRFPKSQQGADELNKEIQLLPLLVGC--VKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVT---N-------LKNKILLLSEAVEDQ---VFPLLDE-SLRDYLTLRFQSYMT--HPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGE-LFTRQVMAYRGEVD---------------------------------------------------

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 : 891 -34566 -38.79 -153.62 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -38.79 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.181

(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: