Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPKKIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAE-LIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN 2XXJ Chain:B ((2-302)) --------KVGIVGSGMVGSATAYALALLGVAREVVLVDLDRKLAQA--HAEDILHATPFAHPVWVWAGSYGDLEGARAVVLAAGVAQRPGETRLQLLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYALSGLPPGRVVGSGTILDTARFRALLAEYLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEARGRALSPEDRARIDEGVRRAAYRIIEGKGATYYGIGAGLARLVRAILTDEKGVYTVSAFTPEVAGVLEVSLSLPRILGAGGVAGTVYPSLSPEERAALRRSAEILK------------------

General information: TITO was launched using: RESULT: Template: 2XXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1803 -173028 -95.97 -576.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -95.97 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_2XXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXJ-query.scw PDB file : Tito_Scwrl_2XXJ.pdb: