Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKEFKAESKRLLDMMINSIYTQKEIFLRELISNSSDAIDKIYYKALTDDALTFDKDSYYIKVAADKDARTLTISDTGIGMTKDELEQHLGTIAKSGSLAFKKENELKDGHDIIGQFGVGFYAAFMVADVVTVISKALG--SEEAYKWESAGADGYTIEPCEKDSVGTDIILKIKENTEDDSYDEFLEEYRLKAIIKKYSDFIRYPIKMDTTINKPKEGSENEFEEVQEEQTVNSMVPIWRKNKSELTDEDYEKFYAEKHYGFDKPLTHVHISVDGAVRYNAILFVPENMPFDYYSKEYEKGLELYSNGVLIMNKCADLLPDHFSFVKGMVDSEDLSLNISREMLQHDRQLKLIAKNISKKIKSELQSLLKKDREKYETFYKSFGRQLKFGVYNDFGANKDQLKDLLLFYSS---KEKKLVSLDEYVSRMPEEQKFIYYATGDSYDRIEKLPQTEMVADKGYEILYFTEDIDEFAIKMLASYQEKEFKSVSSGDLGID--TDEDQKQSEEEESKYKDLFEEMKNILSDKVKNVRISKRLKSHPVCLAADGEVTIEMEKILNAMPDSQNVKAEK-VLEINPNHEVFQTLQDAFEQDKEKLSLYTNLLYNQALLIEGLPIQDPVEFTNNICKVMV 2IOQ Chain:A ((15-623)) -----------QLLHLMIHSLYSNKEIFLRELISNASDAADKLRFRALSNPDLYEGDGELRVRVSFDKDKRTLTISDNGVGMTRDEVIDHLGTIAK------------KDSQ-LIGQFGVGFYSAFIVADKVTVRTRAAGEKPENGVFWESAGEGEYTVADITKEDRGTEITLHLREGE-----DEFLDDWRVRSIISKYSDHIALPVEIE-------KREEKDGETVISWEKINKAQALWTRNKSEITDEEYKEFYKHIAHDFNDPLTWSHNRVEGKQEYTSLLYIPSQAPWDMWNRDHKHGLKLYVQRVFIMDDAEQFMPNYLRFVRGLIDSSDLPLNVSREILQDSTVTRNLRNALTKRVLQMLEKLAKDDAEKYQTFWQQFGLVLKEGPAEDF-ANQEAIAKLLRFASTHTDSSAQTVSLEDYVSRMKEGQEKIYYITADSYAAAKSSPHLELLRKKGIEVLLLSDRIDEWMMNYLTEFDGKPFQSVSKVDESLEKLA-------KEAEKALTPFIDRVKALLGERVKDVRLTHRLTDTPAIVSTDA----------------------KYIFELNPDHVLVKRAADT--EDEAKFSEWVELLLDQALLAERGTLEDPNLFIRRMNQLLV

General information: TITO was launched using: RESULT: Template: 2IOQ.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 : 2688 94070 35.00 168.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 35.00 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2IOQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IOQ-query.scw PDB file : Tito_Scwrl_2IOQ.pdb: