Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEKLLEIKHLKQHFVTPRGTVKAVDDLSFDIYKGETLGLVGESGCGKSTTGRSIIRLYEATDGEVLFNGENV------HGRKSRKKLLEFNRKMQMIFQDPYASLNPRMTVADIIAEGLDIHKLAKTKKERMQRVHELLETVGLNKEHANRYPHE----FSGGQRQRIGIARALAVDPEFIIADEPISALDVSIQAQVVNLMKELQKEKGLTYLFIAHDLSMVKYISDRIGVMYFGKLVELAPADELYENP--LHPYTKSLLSAIPLPDPDYERNRVRQKYDPSVHQLKDGETMEFREVKPGHFVMCTEAEFKAFS 2PMK Chain:A ((21-242)) ------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA----KLAGA--------HDFISEL---REGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKIC--KGRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQS-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PMK.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 : 1002 -121275 -121.03 -577.50 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -121.03 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_2PMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PMK-query.scw PDB file : Tito_Scwrl_2PMK.pdb: