Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVS-----FDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSS--------IGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSE-FDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPV---LRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM 4AW3 Chain:A ((43-390)) -----------------------------YGELQETEPVSRVRPPYGEE--AWLVTRYEDVRAVLGDGRFVRG--PSMTRDEPRTRPEMVKGGLLSMDPPEHSRLRRLVVKAFTARRAESLRPRAREIAHELVDQMAATGQPADLVAMFARQLPVRVICELLGVPSADHDRFTRWSGAFLSTAEVTAEEMQEA--------AEQAYAYMGDLIDRRRKEPTDDLVSALVQARDQQDSLSEQELLDLAIGLLVAGYESTTTQIADFVYLLMTRPELRRQLLDRPELIPSAVEELTRW-VPLGVGTAVPRYAVEDVTLRGVTIRAGEPVLASTGAANRDQAQFPDADRIDVDRTPNQHLGFGHGVHHCLGAPLARVELQVALEVLLQRLPGI-----------------------

General information: TITO was launched using: RESULT: Template: 4AW3.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 : 1500 -184685 -123.12 -557.96 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -123.12 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_4AW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AW3-query.scw PDB file : Tito_Scwrl_4AW3.pdb: