Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA 3TAT Chain:D ((1-397)) MFQKVDAYAGDPILTLMERFKEDPRSDKVNLSIGLYYNEDGIIPQLQAVAEAEARLNAQPHGASLYLPMEGLNCYRHAIAPLLFGADHPVLKQQRVATIQTLGGSGALKVGADFLKRYFPESGVWVSDPTWENHVAIFAGAGFEVSTYPWYDEATNGVRFNDLLATLKTLPARSIVLLHPCCHNPTGADLTNDQWDAVIEILKARELIPFLDIAYQGFGAGMEEDAYAIRAIASAGLPALVSNSFSKIFSLYGERVGGLSVMCEDAEAAGRVLGQLKATVRRNYSSPPNFGAQVVAAVLNDEALKASWLAEVEEMRTRILAMRQELVKVLSTEMPERNFDYLLNQRGMFSYTGLSAAQVDRLREEFGVYLIASGRMCVAGLNTANVQRVAKAFAAVM-------

General information: TITO was launched using: RESULT: Template: 3TAT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2090 -253099 -121.10 -637.53 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.90 3D Compatibility (PKB) : -121.10 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3TAT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TAT-query.scw PDB file : Tito_Scwrl_3TAT.pdb: