Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQDFKVYLRLISYLKPYWGVALLVLIGFGMNSATEVSVAKLIKFIID-AIQNASRADLDWFPLLIILLVFFRGLGLFMGGYYTAVISRSLVFSIRQEVYAKLLRLPAQYYLDNSSGHITAKIMYNVEQLTAASSESLKTIVRDGMITLGLLGYLFYTNWRLTICIMVFLPVIGILVRKASKRMRKLSMQVQDTMGDVNHVVQESINGNAVVKSFAGEESEQERFYKSSEENLKRGLKMVIVQNLNSPVVQVVMACAMALIVWLALRPQILGNTTAGEFVAYITAAGLLSKPVKNLTDVNEKLQRGLAAAHSVFELLDLPEEQNSGELK-PQLQGAIRFDHVVLNYA-DGTQAIKDFSLDIRPGETVALVGRSGAGKTSLVNMLVLFQEVSSGQIYLDDLPIRDIELSSLRTQIAMVNQQVVLFNRTVRENIAYGQLHNASDEDVIAAAKAAYAHDFIMNLPNGYDTVLGAQGLNLSGGQRQRIAIARAILKNAPILILDEATSALDNESEHFIQQAFDEAMQDRTTIVIAHRLSTIENADRIVVMDRGQIVEQGTHQELLAKHGAYYQLHQRNFEDH 3B60 Chain:A ((10-581)) ----WQTFRRLWPTIAPFKAGLIVAGIALILNAASDTFMLSLLKPLLDDGFGKTDRSVLLWMPLVVIGLMILRGITSYISSYCISWVSGKVVMTMRRRLFGHMMGMPVAFFDKQSTGTLLSRITYDSEQVASSSSGALITVVREGASIIGLFIMMFYYSWQLSIILVVLAPIVSIAIRVVSKRFRSISKNMQNTMGQVTTSAEQMLKGHKEVLIFGGQEVETKRFDKVSNKMRLQGMKMVSASSISDPIIQLIASLALAFVLYAASFPSVMDSLTAGTITVVFSSMIALMRPLKSLTNVNAQFQRGMAACQTLFAILDSEQEKDEGKRVIDRATGDLEFRNVTFTYPGREVPALRNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGHILMDGHDLREYTLASLRNQVALVSQNVHLFNDTVANNIAYARTEEYSREQIEEAARMAYAMDFINKMDNGLDTIIGENGVLLSGGQRQRIAIARALLRDSPILILDEATSALDTESERAIQAALDELQKNRTSLVIAHRLSTIEQADEIVVVEDGIIVERGTHSELLAQHGVYAQLHKMQFG--

General information: TITO was launched using: RESULT: Template: 3B60.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 : 2458 -76345 -31.06 -134.17 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -31.06 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3B60.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B60-query.scw PDB file : Tito_Scwrl_3B60.pdb: