Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMG-------LSY-LAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMA---VSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAI--RFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL 6AF6 Chain:A ((40-377)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELWKKAAAYGFAHGPVSHQFGGSELGALDTALMIEALGKGSRDIGLSFSLCAHLCACVIP-------LYRFGSSELKDKYLESLVTGKLIAANAATEPDA-GSDIYNMQATAQPCEGGYILNGKKIFITNAPIADVF--IIYAKTNPD--HGFLGVSAFLIEKGTPGLNVGEVIPKDCLSNCP--WSEIVFNDIFIPQSQRIGMEGAGGAIFHDSMIWAKGCLSALFVGGLARLLETTLEYAKARQQFGKAIGQFQSVSNRIIDMKLRLEQCRLMLYRACWKHDQGQDAEADIAMSKLLISE------YAVQSGLD-AIQTFG--GAAMDQELGLVRHLLNMIPSRIFSGTNDIQKEIIAR----------------------

General information: TITO was launched using: RESULT: Template: 6AF6.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 : 1788 -32227 -18.02 -99.16 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -18.02 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_6AF6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6af6-query.scw PDB file : Tito_Scwrl_6AF6.pdb: