Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEAR-PSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREE-LGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQV-IHGDANDKNLAVA---EGRLVGVFDFGDACWCPAVCDLAIALAYAAMDL--------RLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCH---PRVVEAGAAQMARLNTNTRYL------HEGLVDYAEALCATLPAP-LEVVYLVNSGSEANELALRLARDYTG------GFDVAVLDAAYHGNTGNLVDM---SPY--KFDAPGGRGRREW-----VHV------LPTPDPY------------RGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVL-GCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGH-PLGAVVTTRAIAEALGGGRME----FFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAF-EQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR- 4A0G Chain:A ((27-831)) ---PFHLPLNHPTYLI--WSANTSLGKTLVSTGIAASFLLQQPSSSAT---------------KLLYLKPIQTGFPSDSDSRFVFSKLDSLSLRRQIP--------ISISNSVLHSSLPAAKSLGLNVEVSE------------------SGMCSLNFRDEK----TVTGAPELLCKTLYAWEAAISPHLAAERENATVEDSVVLQMIEKCLKEEMDLLCLVETAGGVASPGPSGTLQCDLYRPFRLPGILVGDGRLGGISGTIAAYESLKLRGYD----IAAVVFEDHGLVNEVPLTSYLRNKVPVLVLPPVPKDPS-DDLIEWFVE-------SDGVFKALKETMVLANLERLERLNGMAKLAGEVFWWPFTQHKLVHQETVTVIDSRCGENFSIYKASDNSSLSQQFDACASWWTQGPDPTFQAELAREMGYTAARFGHVMFPENVYEPALKCAELLLDGVGKGWASRVYFSDNGSTAIEIALKMAFRKFCVDHNFIVVKVIALRGSYHGDTLGAMEAQAPSPYTGFLQQPWYTGRGLFLDPPTVFLSNGSWNISLPESFSEIAPEYGTFTSRDEIFDKSRDASTLARIYSAYLSKHLAHVGALIIEPVIHGAGGMHMVDPLFQRVLVNECRNRKIPVIFDEVFTGFWRLGVE-TTTELLGCKPDIACFAKLLTGGMVPLAVTLATDAVFDSFSGDSKLKALLHGHSYSAHAMGCATAAKAIQWFKDPETNHNITSQGKTLRELWDEELVQQISSHSAVQRVVVIGTLFALELKS---------LYAKSLLIMLREDGIFTR---PLGNVIYLMCGPCTSPEICRRLLTKLYKRLGEFNRT

General information: TITO was launched using: RESULT: Template: 4A0G.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 : 3867 -119230 -30.83 -169.60 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -30.83 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.257

(partial model without unconserved sides chains): PDB file : Tito_4A0G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4a0g-query.scw PDB file : Tito_Scwrl_4A0G.pdb: