Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYVLDTNVLLQDPNAIFSFEENEVVIPAVVLEEVDSKKRYMDEVGRNARHVSKLIDALRQKGRLHEHVPLDTGGTLRIELNHRSFHQLQEIFIEKTNDNRILAVAKNLSLEEETKENGRPVILVSKDVLVRVKADAIGLLAEDFLNDRVVDNDEMYSGYKDLYISQQLFSSFYGKNQISVNDVKQHAFYPNQFALMKDELGGSSSAVGIADKTGTVLKRLVFDDEHIWGIRPKNVQQTMALELLLREDIPLVTLIGKAGTGKTLL-ALAAGLLQTED-LGIYKKLVVARPIVPVGKDIGYLPGEKEEKLKPWMQPIFDNLEFLFNAKK------PG----------------ELDAILAGIGSIQVEALTYIRGRSIPDQFIIIDEA-QNLTRHEVKTLLTRVG-----EGSKIVL-MGDPEQIDHPYLDSLNNGLAYVVERFKGQPISGSVKLLKGERSGLAQLAADLL 2IT1 Chain:A ((28-198)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELP-PKDRNVGLVFQN--WALYPHM-TVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPW-QLSGGQQ--QRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEAL---------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IT1.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 : 523 -39496 -75.52 -282.11 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -75.52 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_2IT1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IT1-query.scw PDB file : Tito_Scwrl_2IT1.pdb: