Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIV-KIENVRVLDPIQKTDSVQTVYLQDGKLVAPV-D---QVEQTIDGQGKWLMPTMVDLCARLREPGQQQHGTLKSEGKAARANGILHVITPPDSKPIVQDNGALIHGLIEKAWHDGGIHMHIIGAQTHGLNGKQPANMAGLKKGGCTAVSNANAAFENDDVVVRTLEYAAGLGLTVVFYAEEPQLAKDGCAHEGFIASRQGL-PMIPAIAETVAIAKHLLMIEATGVKAHFGLLSCGASVELIRAAKAKGLPVTADVAMHQLHLTEQLIDGFNSLAHVRPPLRSAQDKELLRQGLKQGVIDAICTHHEPLSSSAKMAPFAETQPGITAFDTYVALGIQ-LINEGLFEPLEWVTKVTSAPAQVANMTAR---WQAEAGWVLVDPELSWTVSKDTILSQGKNTPLLGQKLTGKVLQTFAV 3MPG Chain:A ((2-415)) ---NYLFKNGRYMNEEG-KIVATDLLVQDGKIAKVAENITADNAEVIDVNGKLIAPGLVDVHVHLREPGGEHKETIETGTLAAAKGGFTTICAMPNTRPVPDCR-EHMEDLQNRIKEKAHVNVLPYGAITVRQAGSEMTDFETLKELGAFAFTDDGVGVQDASMMLAAMKRAAKLNMAVVAHCEENTLINKGCVHEGKF-SEKHGLNGIPSVCESVHIARDILLAEAADCHYHVCHVSTKGSVRVIRDAKRAGIKVTAEVTPHHLVLCEDDIPSADPNFKMNPPLRGKEDHEALIEGLLDGTIDMIATDHAPHTAEEKAQGIERAPFGITGFETAFPLLYTNLVKKGIITLEQLIQFLTEKPADTFGLEAGRLKEGRTADITIIDLEQEEEIDPTTFLSKGKNTPFAGWKCQGWPVMTIV-

General information: TITO was launched using: RESULT: Template: 3MPG.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 : 2487 77913 31.33 192.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 31.33 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3MPG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MPG-query.scw PDB file : Tito_Scwrl_3MPG.pdb: