Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEKLLEIKHLKQHFVTPRGTVKAVDDLSFDIYKGETLGLVGESGCGKSTTGRSIIRLYEATDGEVLFNGENV------HGRKSRKKLLEFNRKMQMIFQDPYASLNPRMTVADIIAEGLDIHKLAKTKKERMQRVHELLETVGLNKEHANRYPHE----FSGGQRQRIGIARALAVDPEFIIADEPISALDVSIQAQVVNLMKELQKEKGLTYLFIAHDLSMVKYISDRIGVMYFGKLVELAPADELYENPLHPYTKSLLSAIPLPDPDYERNRVRQKYDPSVHQLKDGETMEFREVKPGHFVMCTEAEFKAFS 2FFB Chain:A ((25-239)) ------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA----KLAGA--------HDFISEL---REGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKIC--KGRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYS----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FFB.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 : 975 -110464 -113.30 -538.85 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -113.30 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_2FFB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FFB-query.scw PDB file : Tito_Scwrl_2FFB.pdb: