Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA 1AIC Chain:A ((1-396)) MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYL-LENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSHNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL-------

General information: TITO was launched using: RESULT: Template: 1AIC.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 : 2138 -243313 -113.80 -614.43 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -113.80 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_1AIC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AIC-query.scw PDB file : Tito_Scwrl_1AIC.pdb: