Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK 3GIE Chain:B ((3-214)) ----------------------------------------------------------------------------------------------------------------------------------------------------------KERERLEEKLEDANERIAELVKLEERQRIARDLEDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMK-IRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIP----

General information: TITO was launched using: RESULT: Template: 3GIE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 714 -54686 -76.59 -259.18 target 2D structure prediction score : 0.85 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -76.59 2D Compatibility (Sec. Struct. Predict.) : 0.85 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_3GIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIE-query.scw PDB file : Tito_Scwrl_3GIE.pdb: