Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MIELEVVIR----TVASFGLLL-IAERILGKQTISQMTIFDFIAAITLGAIAAGLAYNTSIKPHNMAISFSI-FVLTIFLISFLSIKNRKLRKFFAG---------DPTVLIQNGKILESN-----------------MRKMRYTLDYLNQQLREKEI---------FNIEEVLFAILETNGQLTVLRKPQFRHVTKQDLM-IAVNQEQRLPIELIM------DGEIIENNLKQNRLTESWLLEELRKR-----DIKVKETVYAVLLGNGDIYVDQYKDHISVPMDKE- 4NSD Chain:A ((15-349)) DRKVMEYENRIRAYSTPDKIFRYFATLKVISEPGEAEVFMTPEDFVRSITPNHLGLDQYIIKS-IFYTLGECGLISFSDYIFLTTVLSTPQRNFEIAFKMFDLNGDGEVDMEEFEQVQSIIRSCSALTTYFFGADLKGKLTIKNFLEFQRKLQHDVLKLEFERHDPVDGRITERQFGGMLLAYSGVQSKKLTAMQRQLKKHFKEGKGLTFQEVENFFTFLKNINDVDTALSFYHMAGASLDKVTMQQVARTVAKVELSDHVCDVVFALFDCDGNGELSN-KEFVSIMKQRLM

General information: TITO was launched using: RESULT: Template: 4NSD.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 : 798 -97538 -122.23 -418.62 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -122.23 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_4NSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NSD-query.scw PDB file : Tito_Scwrl_4NSD.pdb: