Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLEIKNLHVSI-EEKEILKGVNLTMKTGEIHAIMGPNGTGKSTLSAAIMGNPNYEVTEGEILFDGKNVLDLEVD-ERARLGLFLAMQYPS-EIPGITNAEFMRAAINAKRDENDKISVMAFLKKLDEKMALLNMPEEMAERYLNEGFSGGEKKRNEILQLLMLEPTFAILDEIDSGLDIDALKVVAKGVNEMRGDNFGALIITHYQRLLNYITPDVVHIMMEGRVVMTGNADLAKRLEAEGYAGISKELGIDYKEEEA 5X3X Chain:B ((3-233)) -PILAAEALTYAFPGGVKALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLR--PQSGRVLLGGTATGHSRKDLTGWRRRVGLVLQDADDQLFATTVFEDVSFGPLNLG-----LSEAEARARVEEALAALSISD-LRDRPT-HMLSGGQKRRVAIAGAVAMRPEVLLLDEPTAGLDLAGTEQLLTLLRGLRAAGMTLVFSTHDVELAAAL-ADRVALFRTGRVLAEGAAEAVLSDRAT------------------

General information: TITO was launched using: RESULT: Template: 5X3X.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 : 1190 -31181 -26.20 -136.76 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -26.20 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_5X3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X3X-query.scw PDB file : Tito_Scwrl_5X3X.pdb: