Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MYNRSVMINLNVRSEMALQILQKQLDE-------SSHCPLCQASMYWVDA--EQFEQDVQFHECSHCQHRVFKDTKMTCHCDQCTKQRKKLLQQTRL---------------------QEQRQFKLKDQPQRSL-----EQLSFLHKLFLLSLLDDYARDDVAHDEYIHWDQIKYQPITP------NWMFQSHLIKQLHKD---------GILNAQDQTDEPQCF--YLNIRLDGYSDPSLFSVAQQLRHWFYENLSLGIPFRSADEVKDVLFQVLYQEIIQFTQFYCRTWGI--QIAGSSNFQAFCYRLMDSLAIGQIYYLIQ-TALEYLYKQKALQPRNEKFINTNLLKKTLEQYRERALAEKWETSMLPRPYNIPYSKMSHILFNRFLGYDEQI-FVQPVWKAWRKIEPRLNFYS-----------VKRCMYCGSNDLSVDYDA--------------ADYVSLICQNCKHQDHYFTR 3KMQ Chain:A ((1-476)) GLIVDTRDVEERVHVMRKTKLAPTVAHGVFNPEFGPAALSNKDPRLNEGVVLDEVIFSKHKSDTKMSAEDKALFRRCAADYASRLHSVLGTANAPLSIYEAIKGVDGLDAMEPDTAPGLPWALQGKRRGALIDFENGTVGPEVEAALKLMEKREYKFACQTFLKDEIRPMEKVRAGKTRIVDVLPVEHILYTRMMIGRFCAQMHSNNGPQIGSAVGCNPDVDWQRFGTHFAQYRNVWDVDYSAFDANHCSDAMNIMFEEVFRTEFGFHP--NAEWILKTLVNTEHAYENKRITVEGGMPSGCSATSIINTILNNIYVLYALRRHYEGVELDTYTMISYGDDIVVASDYDLDFEALKPHFKSLGQTITPADKSDKGFVLGHSITDVTF----LKRHFHMDYGTGFYKPV-MASKTLEAILSFARRGTIQEKLISVAGLAVHSGPDEYRRLFEPFQGLFEIPSYRSLYLRWVNAVCGDAAALEHH---

General information: TITO was launched using: RESULT: Template: 3KMQ.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 : 2046 28773 14.06 73.78 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 14.06 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_3KMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KMQ-query.scw PDB file : Tito_Scwrl_3KMQ.pdb: