Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVS-----FDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSS--------IGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSE-FDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPV---LRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM 2YCA Chain:A ((43-390)) -----------------------------YGELQETEPVSRVRPPYGEE--AWLVTRYEDVRAVLGDGRFVRG--PSMTRDEPRTRPEMVKGGLLSMDPPEHSRLRRLVVKAFTARRAESLRPRAREIAHELVDQMAATGQPADLVAMFARQLPVRVICELLGVPSADHDRFTRWSGAFLSTAEVTAEEMQEA--------AEQAYAYMGDLIDRRRKEPTDDLVSALVQARDQQDSLSEQELLDLAIGLLVAGYESTTTQIADFVYLLMTRPELRRQLLDRPELIPSAVEELTRW-VPLGVGTAFPRYAVEDVTLRGVTIRAGEPVLASTGAANRDQAQFPDADRIDVDRTPNQHLGFGHGVHHCLGAPLARVELQVALEVLLQRLPGI-----------------------

General information: TITO was launched using: RESULT: Template: 2YCA.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 : 1528 -193185 -126.43 -583.64 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -126.43 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_2YCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YCA-query.scw PDB file : Tito_Scwrl_2YCA.pdb: