Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKINDFPHDNNFWKVEWIGGVYNDIDGEPRIRIYLAQIKSNIERQKTLYNSSLEVRNQQNISSVHDVKIGLIQFIPIGSV--WKNGILDQSFTAQYEQFNFN--SDTPSEVCFQSQYGGIAETGLNNTTEWNNHLNDFHYRIVNSEARAL--GNYINVFYDYNG------LSRIYIPSIVILQACYITSPKSARHIIFGQINKLLDPETSGFIDKETFRIHLH-RDYKDIEAPM--------------IANLATNFNAKMGLRTLRQSLVKESNITSISTPKRLKISFPFSNDFSIKVKGKYIMENNKIYGFFVTQI--IEFST--------KFDFTKL-------VIFRKNSNQKGKEKAENLQNAYEGCNAVRPSHSESLDDKDESQPLIFTHDQVSNQNLPQSIDFPLCSNISNLEVLKEDKDIQYYQNASYTNLNLRPSNTTSTGPAISSNNGVSELQIEPSLPVDLEYFFDVLEILNKLGYQFKSIAVNNSRDHP---RGIINQFNRF--IKNLHKWHLQDDDQTPRPFIVAEMIYKGAFYYLLDIAPRKGAALSAQLIRAYTGEQITPTAFAILLNDVARTSPKGWSVLDHAKYSQKWQHFRIEHNRNNKPELVAKNIIKKLG 5HYW Chain:A ((38-740)) ----LDLPEPLLLHILSFL----TDVRSRHRAALACGRMRAAERATRSELSLRGDPRSPGFLFLSHAFRFPALEHLDLSLVSPWGHPLLSSVPISEQNAFIAARLAGCFPAVTSLAVYCRDPTTLANLTPHWQASLRRVKLVRWHQRPPTLPDGADLEPLLETCAALRELDLSEFYCWTEDVVRALT-THPSATAALT--HLDLGLAAATDGFKSSELGPIAASCPNLRKLVAPCLFNPRFSDCVGDDALLSLATSCP-RLTVLRLSEPFEEEAAIT-VAGLVAFFAALPALEDFTMDLQ-HNVLEAAPAMEALARRCPRIKFLTLGSFQGLCKASWLHLDGVAVCGGLESLYMKNCQDLTDASLAAIGRGC---RRLAKFGIHGCDLVTSAGIRRLAFTLRPTLKEVTVLHCRLLHTAECLTALSPISW---EMLRSLSLWFSAGQLLSPLISAGLDSCPVLEEISIKVEGDTIFGLSDLAGFPVLAKMKLDLSEAVDLSLWERFYLHGIESLQTLYELDYWPPQDKHRSLTLPAVGLIQ--------------RCVGLRKLFIHGTTHEHFMTFFLSIPNLRDMQLREDYYPAP-----AESWLRFEVQLNSRQIDD-----------

General information: TITO was launched using: RESULT: Template: 5HYW.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 : 2804 1164 0.42 2.19 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 0.42 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_5HYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HYW-query.scw PDB file : Tito_Scwrl_5HYW.pdb: