Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MKVLRVLVTTTALLAAG------------AAMADEAVVHD------SYAFDKNQLIPVGARAEV----GTTGYG---------GALLWQANPYVGLALGYNGGDISWTDDVSVNGTKYDLDMDN---------NNVYLNAEIRPWGAST----NPWAQGLY--------IAAGAAYLD----------NDYDLAKRIGNGDTLSIDGKNYQQAV--PGQEGGVRGKMSYKNDIAPYLGFGF-APKISKNWGVF-----GEVGAYYT--GNPKVELTQYNLASVTGNPTSAQDAVDKEANEIRNDNKYEWMPVGKVGVNFYW------------------------- 4CI2 Chain:B ((71-451)) MINFDTSLPTSHMYLGSDMEEFHGRTLHDDDSCQVIPVLPHVMVMLIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVREREAHFGTTAEIYAYREEQEYGIETVKVKAIGRQRFKVLEIRTQSDGIQQAKVQILPERVLPSTMSAVQLQSLSRRHIRAFRQWWQKYQKRKFHCASLTSWPPWLYSLYDAETLMERVKRQLHEWDENLKDESLPTNPIDFSYRVAAC--LPIDDALRIQLLKIGSAIQRLRCELDIMNKCTSLCCKQCQDTEITTKNEIFSLSLCGPMAAYVNPHGYIHETLTVYKACNLNLSGRPSTE------HSWFPGYAWTIAQCRICGNHMGWKFTATKKDMSPQKFWGLTRSALLPR

General information: TITO was launched using: RESULT: Template: 4CI2.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 : 949 25471 26.84 105.69 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 26.84 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.026

(partial model without unconserved sides chains): PDB file : Tito_4CI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CI2-query.scw PDB file : Tito_Scwrl_4CI2.pdb: