Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA 1AHE Chain:B ((1-396)) MFENITAAPADPILGLADLFRADERPGKINLGIGLYYDETGKIPVLTSVKKAEQYL-LENETTKLYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGSGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSSPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL-------

General information: TITO was launched using: RESULT: Template: 1AHE.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 : 2172 -241726 -111.29 -610.42 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -111.29 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_1AHE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AHE-query.scw PDB file : Tito_Scwrl_1AHE.pdb: