Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVPRFRKQWFAYLTVLCLALAAAVSFGVPAKAAENPQTSVSNTGKEADATKNQTSKADQVSAPYEGTGKTSKSLYGGQTELEKNIQTLQPSSIIGTDERTRISSTTSFPYRATVQLSIKYPNTSSTYGCTGFLVNPNTVVTAGHCVYSQDH---GWASTITAAPGRNGSSY----PYGTYSGTMFYSVKGWTESKDTNYDYGAIKLNGSP--GNTVGWYGYRTTNSSSPVGLSSSVTGFPCDKTFG----TMWSDTKPIRS---AE-----------TYKL--TYTTDTYGCQSGSPVYRNYSDTGQTAIAIHTNGGSSYNLGTRVTNDVFNNI---QYWANQ 3NCL Chain:A ((9-237)) ----------------------------------------------------------------------------------------------------------EGEWPWQVSLHAL------GQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDF-TFDYDIALLELEKPAEYSSMVRPISLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWG---DGCAQRNKPGVYTRLPLFRDWIKE

General information: TITO was launched using: RESULT: Template: 3NCL.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 : 1101 -90921 -82.58 -461.53 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -82.58 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.283

(partial model without unconserved sides chains): PDB file : Tito_3NCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NCL-query.scw PDB file : Tito_Scwrl_3NCL.pdb: