Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAF-LAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLL-----FGIIA--SSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI 3FGA Chain:B ((1-403)) PPADQEKLFIQKLRQCCVLFDFVSDPLSDLKWKEVKRAALSEMVEYITHNRNVITEPIYPEVVHMFAVNMFRTLPPSSNPTGAEFDPEEDEPTLEAAWPHLQLVYEFFLRFLES--PDFQPNIAKKY--------IDQKFVLQLLELFDSEDPRERDFLKTTLHRIYGKFLGLRAYIRKQINNIFYRFIYE------------TEHHNGIAELLEILGSIINGFALPLKEEHKIFLLKVLLPLHKVKSLSV-----YHPQLAYCVVQFLEKDSTLTEPVVMALLKYW-------PKTHSPKEVMFLNELEEILDV--IEPSEFVKIMEPLFRQLAKCVSSPHFQVAERALYYWNNEYIMSLISDNAAKILPIMFPSLYRNSKTHWNKTIHGLIYNALKLFMEMNQKLF--DDCTQQFKAEKLKEKLKMKEREEAWVKIENL--

General information: TITO was launched using: RESULT: Template: 3FGA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1434 -248863 -173.54 -630.03 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -173.54 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.160

(partial model without unconserved sides chains): PDB file : Tito_3FGA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FGA-query.scw PDB file : Tito_Scwrl_3FGA.pdb: