Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTDL----GKYADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNV-KNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQ----NKGYIELPE-LSEDHVWHLFPIKVRTE----DRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 4LC3 Chain:A ((24-390)) -------------------------------------------------------------------------------IDEETIQGVVEVLRSGWITTGPQCQKFEAALSEYCGGRPVRVFNSGTCTLEIGLRIAGVGPGDEVITTPASWVSTSNVIIETGATPVFADIDPVTRNIDLDKLEQAITPRTKAIIPVFLSGLPVDMDRLYAIARAHKLRVIEDAAQAFGSTWHGKRIGAIGDLVSFSFHANKNLTTI-EGGALVLNNEDEAVLAQKYRLQGITRTGFDGMDCDVLGGKYNLTDVAARVGLGQLPHLERFTAQRRALARAYFAAFDGGAAAKLG---VGLPVAEFENGNWHMFLVTLPLERLTITRAEFMAQMKE-RGIGTGIHYP-AIHLFTLY-RARGFKEGMFPHAERYGASTVTLPLFTQMTEGDVRRVVDAVNQICEQYG--

General information: TITO was launched using: RESULT: Template: 4LC3.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 : 1998 -203768 -101.99 -577.25 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -101.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_4LC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LC3-query.scw PDB file : Tito_Scwrl_4LC3.pdb: