Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------MSQKQPYTPGEFQWSFLLPKYWGVWIAI------TFLMLLAILPWAIQWRLAHGLANLAWKYLKSRRKTTIRNLEVCFPEWSPEKVQQQAKQVFVDMMLGIFETLNAWYKPYWFKNRVTIEGLEHITNAQAQGKGVLLLGTHSTLLDAGGYVCAQYFEPDVVY-----------------RPQNNPLLDML--------IYRCRGTIYKAQIDHDDMRGLIRHLKE--GDAIWYSPDQDFGLKQGVMAPFFGVPAATVTAHRRLLKISKAVAVPLYFYRHGNVQNPKYHILIEPAVDNLPSE------DEVDDATRVNK------------------IIENQLRIAPTQYMWFHRRFKTRPEGYEEIY----------------------- 2ACV Chain:A ((3-463)) MSDINKNSELIFIPAPGIGHLASALEFAKLLTNHDKNLYITVFCIKFPGMPFADSYIKSVLASQPQIQLIDLPEVEPPPQELLKSPEFYILTFLESLIPHVKATIKTILSNKVVGLVLDFFCVSMIDVGNEFGIPSYLFLTSNVGFLSLMLSLKNRQIEEVFDDSDRDHQLLNIPGISNQVP--SNVLPDACFNKDGGYIAYYKLAERFRDTKGIIVNTFSDLEQSSIDALYDHDEKIPPIYAVGPLLDLKGQPNPKLDQAQHDLILKWLDEQPDKSVVFLCFGSM-GVSFGPSQIREIALGLKHSGVRFLWSNSAEKKVFPEGFLEWMELEGKGMICGWAPQVEVLAHKAIGGFVSHCG------WNSILESMWFGVPILTWPIYAEQQLNAFRLVKEWGVGLGLRVDYRKGSDVVAAEEIEKGLKDLMDKDSIVHKKVQEMKEMSRNAVVDGGSSLISVGKLIDDITG

General information: TITO was launched using: RESULT: Template: 2ACV.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 : 1280 -52587 -41.08 -174.13 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -41.08 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.078

(partial model without unconserved sides chains): PDB file : Tito_2ACV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACV-query.scw PDB file : Tito_Scwrl_2ACV.pdb: