Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKDLIGKASIHKNKTIAVAHAEDEEVIRA-VKLAAEHLSARFLLTGDSK------KLN--------------ELTSSMQGHQVEIVHANTPEESAK--------LAVRAVHHKTADVLMKGNV-PTSVLLKAVLNRQEGLRSASVLSHVAVFDIPDFDRLMFVTDSAMNIAPSLEELRQILQNAVHVAHAVGNNMPKAAALAAVETVNPKMEATV---NAAALAQMYKRGQIKGCIVDGPLALDNAVSQIAAAQKKISGDVAGNADILLVPTIEAGNILYKSLIYFAKA-SVAAVITGAKAPIALTSRADSAENKLYSIALAICASEEYTH 4E4R Chain:A ((18-327)) -------------KNVKIVLPEGEDERVLTAATQLQATDYVTPIVLGDETKVQSLAQKLNLDISNIELINPATSELKAELVQSFVERRKGKTTEEQAQELLNNVNYFGTMLVYAGKADGLVSGAAHSTGDTVRPALQIIKTKPGVSRTSGI-FFMIKGDEQYIF-GDCAINPELDSQGLAEIAVESAKSALSFGMD-PKVAMLSFSTKGSAKSDDVTKVQEAVKLAQQKAEEEKLEAIIDGEFQFDAAIVPGVAEKKAPGAKLQGDANVFVFPSLEAGNIGYKIAQRLGGYDAVGPVLQGLNSPVNDLSRGCSIED-VYNLSFITAA------

General information: TITO was launched using: RESULT: Template: 4E4R.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 : 1399 8766 6.27 31.76 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 6.27 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_4E4R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E4R-query.scw PDB file : Tito_Scwrl_4E4R.pdb: