Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQNPAAQAGDKVPNMSNARRGETSDDYARHKAAASRAFLENHYQSLLANTRNGVGRAVGPRQKEPSFSDFHLFKCIGRGAFGEVFVCKYKSDKTDTLYALKRLRKSDMITKKQVVHVRSEKDVLAEAAASNPWVVHLYRSFQDSLYLYMVMEYMPGGDMISWLCDKGIFDVESTRFYIAELCAAVASVHDMGFVHRDIKPDNILFGESGHIKLSDFGLSKRFVEKRGNLLDYDDPSSSSNGAEASADEKSAYESRTDAPSGSPSGDGAGTGIAHGRVREMFQSIVGSPGYIAPEILLRKPYGVGCDWWSVGVIMYEMLYGIPPFFSQNPNSTCHKIKNWREHLVFPPQRHIPDDAVDFMKRLIC-EPEKRMTYD-EICHHDFLKPMDMNGLL--KLQAPYVPALSNRLDTKYFPEIKEPSAPMQQSEEQKVREVDPRGVMFADFRFNYSGDQAGPASA 4RA5 Chain:A ((2-327)) -----------------------------------------------------------------LKIEDFELHKMLGKGSFGKVFLAEFKK--TNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLA-WEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDA----------------------------------------------------KTNEFCGTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDN--PFYPR--WLEKEAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPFDCSNFDKEFLNEKPRLSFADRAL-INSMDQNMFRNFSFMNPG--------

General information: TITO was launched using: RESULT: Template: 4RA5.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 : 1665 -149238 -89.63 -463.47 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -89.63 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4RA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RA5-query.scw PDB file : Tito_Scwrl_4RA5.pdb: