Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIVKIENVRVLDPIQKTDSVQTVYLQDGKLVAPVDQ-----VEQTIDGQGKWLMPTMVDLCARLREPGQQQHGTLKSEGKAARANGILHVITPPDSKPIVQDNGALIHGLIEKAWHDGGIHMHIIGAQTHGLNGKQPANMAGLKKGGCTAVSNANAAFENDDVVVRTLEYAAGLGLTVVFYAEEPQLAKDGCAHEGFIASRQGLPMIPAIAETVAIAKHLLMIEATGVKAHFGLLSCGASVELIRAAKAKGLPVTADVAMHQLHLTEQLIDGFNSLAHVRPPLRSAQDKELLRQGLKQGVIDAICTHHEPLSSSAKMAPFAETQPGITAFDTYVALGIQLINEGLFEPLEWVTKVTSAPAQVANM---TARWQAEAGWVLVDPELSWTVSKDTILSQGKNTPLLGQKLTGKVLQTFAV 1XRT Chain:A ((51-458)) -----VKNGYVIDPSQNLEGEFDILVENGK-IKKIDKNILVPEAEIIDAKGLIVCPGFIDIHVHLRDPGQTYKEDIESGSRCAVAGGFTTIVCMPNTNPPI-DNTTVVNYILQKSKSVGLCRVLPTGTITKGRKGKEIADFYSLKEAGCVAFTDDGSPVMDSSVMRKALELASQLGVPIMDHCEDDKLAY---------------------AEEIQIARDGILAQRTGGHVHIQHVSTKLSLEIIEFFKEKGVKITCEVNPNHLL----------------------EDRLALIEGVKRGIIDCFATDHAPHQT------------GIIGLQTALPSALELYRKGIISLKKLIEMFTINPARIIGVDLGTLKLGSPADITIFDPNKEWILNEETNLSKSRNTPLWGKVLKGKVIYTI--

General information: TITO was launched using: RESULT: Template: 1XRT.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 : 2150 34732 16.15 100.09 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 16.15 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_1XRT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XRT-query.scw PDB file : Tito_Scwrl_1XRT.pdb: