Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEKKGPLTVTLAECEKIALRFLF-ALFPNA-DQYFRIRYDEKDEEENAVAGFTFEAHCHGVPLRFGQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHFKV-ELGWEREYGDDEEHSYRLVYKPVY-------PHFIDAHTGEPVFSIW 3U1W Chain:A ((36-191)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YVVDFNNG-GSETTAWFTD-QGIWMMEKID--------ISFAQLPAAVSTAFKQSFYSNWTVDDTYAINRL---NMGIVYKIEAEQ-------SNSEVDLYYSQ-YGNLIKAVDDEIN--N-----DAPIVIPKEVSNLMEITFANAELLDIQQN----SL----GYELDMIDNQIYKVAQLNK-DYRWQSTT-

General information: TITO was launched using: RESULT: Template: 3U1W.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 : 636 -63332 -99.58 -433.78 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -99.58 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_3U1W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U1W-query.scw PDB file : Tito_Scwrl_3U1W.pdb: