Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHTFVLFLSLILLVLPGCSAEKSSADTAKKTLTIYSTMSTD-SERDTFRKLAAAFEKEHSDIHVSLHFPGNDYENMMRVRMAANDLPDLFDTHG---WGKIRYGEYTADLRDMKW----TQDLDPNLNSILKN-KSGKVYAYPINQAKDGLAYNRNILDRYGIA-PPETMDDFIKALRTIKEKSKGSIVPFWFAGYDKSSFAQYYDQFATPLLITDPAHNEKKQLINGTFQW-S-KFTYLSEILKQMQKEKLINIDAVTAKKSQLIELMAQNKIAFTMQGGTLGQDVAQI-NPNVKVGIIPTPAIHPGDDPI-WIGGERYTLAAWKD-SPQLKEAKDFIAFMARPANAKQMAEATS-LPSGLTNVKA---DIFYANDYEYYQDVKVEPYFDRL--YL-PNGMWD-VLGTVGQELAADILAPQDISQKLGREYKRLREQSETQGAENNE 3I3V Chain:A ((39-429)) -----------------------------PDTLVVHTQLGTTAPGSPTYLAAVDRFREENPGVKIKNLVNGDDLAQVYETSRLARKEADVVMVNLYDKTLAWTDVGATVDVKPYLDDWGLRGRVLPAALAD-WTDDEGRVRAFPYFATNWPVAYNRALLDRAGVDAIPTTGDQLIAAARKLR-A-KG-IAPVTVGGN-DWTGQKLLAQII-QTF---LSQDEARHV-YSTGDFGVRGARLGIEYFAHLRDAGVFADKAQGLTSDSMTTQFNTEEAAVQSAMSSALAKVPEKVAGHTEVGGWPLADGAAHDGPTVIRAYTLIGFWISPNGVRKIEQVEKFLRFMYRPDVVARFVTESGRDMALRTDAVSTGFPL-VG---AAQRLGSEVSQVLLPDVYVPP--AAAQPLITATSTSFTRGTSPARVRAALESAYRSV-------------

General information: TITO was launched using: RESULT: Template: 3I3V.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 : 2070 41030 19.82 111.49 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 19.82 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3I3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I3V-query.scw PDB file : Tito_Scwrl_3I3V.pdb: