Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFERGIGFFALIFSILVIGAFIALSIYLIRLDNIIREKFEGQRWDIPAKVFARPLEIYNNAPITQANFTQELKLLGYKTSSNYDKSGTYVAQGSNMYVHTRGFDYGDSVEPEQVLELSFANDQVVEVRSTKPSSTGVARLEPLLIGGIYPQHNEDRVLIKLNSVPKPLIEALISTEDRNFYHHHGISIRGTARALVSNVTGGRRQGGSTLTQQLVKNFYLTPERTLKRKVNEALMALLIELHYSKDEILEAYLNEVNLGQNGNYSINGYGLAAQFYFGLPLRELNVAQQAYLVGLVQGPSLYNPWKNPEGAKNRRDTVLNNMRVMGYLTQAEYETEIARPLNVLSKP-SLGPAKFPDFLDIVRRQLRTEY--QESDLTNQGLRIFTTLDPIAQTQVQNAFKASVERLANSNPARLKNLQGAVLIAHPENGELIAAVGST-QD-FTGFNRALDAKRQVGSLLKPV-IYLSAIESGRYNWASQIEDAPISVPVDGGKSWTPKNYSGGGHGIVSLSEALANSYNLSAVRLGQEFGLSTFTNNLRKFGVESTI-PAYPSIFLGA--VNMSPMEVLGIYENFATGGFKYPTRAIRSVVDANGHLLDRYGLNVQETIDPSVGYIMNYGLQQVMSSGTGRAAYNSLSPALKLAGKSGTTN-------DTRDSWFAGYSGNHVAVVWLGLDDNKVTG---LTGSSGALPVWINVMKQ-LRQ-TPVNLRQPDSVQWQWIDHASGDLSAQACDGAMYIPMLAHTVPHRATPCGAPYYQVDPTYTPQSDNTIPEPEDDNTDSYIRESENQMEQDLSNNTRIISSGSYNN 3ZG8 Chain:B ((7-464)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YSKDEIMEMYLNRSYFGN----GEWGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQHIDKATNRRNMVLNAMVETGTISKAEGDKYKATKIVLNDQSKDPLANKYPWYVDAVINEAVNEADITQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSNAN--DGTLVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQSG-YDVDSMLKDEKITYK----GNYTPTNVGGVYSGEVPMYKAVANSINAPAVWLLDQIGIDKGVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKTKQIISETVSNEMTSMLLDVINTGTGQSAA---VSGHEMAGKTGSTQVPFDDTSGTKDQWFVGYTPNLVGAVWMGYDKTDKEHYLTTTSSAGVSSLAHYVMNSGLQYQ--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG8.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 : 2408 44415 18.44 101.64 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 18.44 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3ZG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG8-query.scw PDB file : Tito_Scwrl_3ZG8.pdb: