Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSIEKVSKNLIEEAYLTKASDIHIVPRERDAIIHFRVDHALLKKRD--MKKEECVRLISHFKFLSAMDIGERRKPQNGSLTLKLKEGNVHLRMSTLPTINEESLVIRVMPQYNIPSIDKLSLFPKTGATLLSFLKHSHGMLIFTGPTGSGKTTTLYSLVQYAKKHFNRNIVTLEDPVETRDED----VLQVQVNEKAGVTYSAGLKAILRHDPDMIILGEIRDAETAEIAVRAAMTGHLVLTSLHTRDAKGAIYRLLEFGIN------MNEIEQTVIAIAAQRLVDLACPFCENGCSSVYCRQSRNTRRASVYELLYG-KNLQQCIQEAKGN----------HANYQYQTLRQIIRKGIALGYLTTNNYDRWVYHEKD 3JVV Chain:A ((2-342)) ------DITELLAFSAKQGASDLHLSA---GLPPMIRVDGDVRRINLPPLEHKQVHALIYDIMNDKQRKDFEEFLETDFSFEV--P-GVARFRVNAFNQNRGAGAVFRTIPSKVL-TMEELGMGE----VFKRVSDVPRGLVLVTGPTGSGKSTTLAAMLDYLNNTKYHHILTIEDPIEFVHESKKCLVNQREVHR-DTLGFSEALRSALREDPDIILVGEMRDLETIRLALTAAETGHLVFGTLHTTSAAKTIDRVVDVFPAEEKAMVRSMLSESLQSVISQTLIKK---------------------RVAAHEIMIGTPAIRNL--IREDKVAQMYSAIQTGGSLGMQTLDMCLKG-------SRENAREKAKIPE-

General information: TITO was launched using: RESULT: Template: 3JVV.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 : 1594 24249 15.21 78.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 15.21 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3JVV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JVV-query.scw PDB file : Tito_Scwrl_3JVV.pdb: