Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSTQLTGRVIFKGDPGYTEAIK--NWNPYV----DVYPLVFVFAQNSYDVSNAIKWARENKVPLRVRSGRHALDKNLSVV----SGGIVIDVSDMNKVFLDEENAIATVQTGIPVGPLVKGLARD--GFMAPFGDSPTVGIGGITMGGGFGVLSRSIGLISDNLLALKTVDAKGRIIHADQSHNEDLLWASRGGGGGNFGYNTQYTFKVHRAPKTATVFN-IIWPWEQL-ETVFKAWQKWAPFVDERLGCYLEIYSKINGLCHAEGIFLGSKTELIRLLK-PLLHAGTPTEADIKTLYYPDAIDFLDP--------DEPIP-G-RNDQSVKFSSAWGHDFWSDEPISIMRKFLEDATGTEANFFFINWGGAISRVPKDETAFFWRHP-LFYTEWTASWKNKSQEDSNLASVERVRQLMQPYV---A-GSYVNVPDQNIE---------------NFGKEYYGANFARLREIKAKYDPENVFRFPQSIPPSR 4PVK Chain:A ((24-496)) ---------LYAKSSPAYPSVLGQTIRNSRWSSPDNVKPLYIITPTQVSHIQSAVVCGRRHTVRIRVRSGGHDY-EGLSYRSLQPETFAVVDLNKMRAVWVDGKARTAWVDSGAQLGELYYAIYKASPTLAFPAGVCPTVGVGGHFAGGGFGMLLRKYGIAAENVIDVKLVDANGKLHDKK-SMGDDHFWAVRGGGGESFGIVVAWQVKLLPVPPTVTI-FKISKTVSEGAVDIINKWQVVAPQLPADLMIRIIAQ---GPKATFEAMYLGTCKTLTPLMSSKFPELGMNPS-HCNEMSWIQSIPFVHLGHRDALEDDLLNRQNSFK-PFAEYKSDYVYQPFPKTVWEQILNTWL-VKPGAGIMIFDPYGATISATPESATPFPHRKGVLFNIQYVNYWFAPGAAAAPLSWSKDIYNYMEPYVSKNPRQAYANYRDIDLGRNEVVNDVSTYASGKVWGQKYFKGNFERLAITKGKVDPTDYFRNEQSIPPL-

General information: TITO was launched using: RESULT: Template: 4PVK.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 : 2503 -17792 -7.11 -41.57 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -7.11 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4PVK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PVK-query.scw PDB file : Tito_Scwrl_4PVK.pdb: