Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNLPIIAVLYMILSMVSYQISASFAKQLIAALDPLTVTIL-RLCFAAVIVAVMFRSWKIWSRLPYLKWRDLLMYCASLGLMNILFYTSLGKLPQGIAVGLEFIGPLGLALVSIKQKSEYIWVAFAMLGIALMVP-WQDPTQHHFS-YVGAACALGAGLCWAFYIYFGQKV-VTQNIGMHALTIGITVSALALLPIGIWYNGPALLDTQYWGKALLIAVLATAIPYALDLMALKQLNKLTYGTLTSLAPALAALTGFLLLHEEISMLQWVALACVMLASIGVTLRSKTAS 5TTA Chain:A ((36-248)) NENIP----LFINNSKIQYDDTPYHWPSNVISLTNSSEKAIMDYEITCLAYDKNGKPLE-------LYWD--AQNVAADGEVG-----SVGFSPAGVDYGI----VTGISPVSPKSYSHTYR------------KMQQSPPQDIISMF-----EKQQGKAWVENWLKEWKQMEKEYAKQNAIAPGKNQNDAFLLFDK-WKQ-----STGEHGVKYIISCVKQVT-----------FNDGSVWKNSAYENWLKSFQGKEVSNSVLENYYK---------------------

General information: TITO was launched using: RESULT: Template: 5TTA.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 : 884 -46331 -52.41 -221.68 target 2D structure prediction score : 0.24 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -52.41 2D Compatibility (Sec. Struct. Predict.) : 0.24 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.089

(partial model without unconserved sides chains): PDB file : Tito_5TTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TTA-query.scw PDB file : Tito_Scwrl_5TTA.pdb: