Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAVIGLGHVGLAYALLFAS---KYKVVAYDIDSVKINNLKKGILPSKNEELMKFFCE-NNLNITFFDTFSEIKNNIDYYIIALPTDYDEK----IGSFNTYEIEQTVSKILRV-KPNGKIILKSTVPIGFSNKLKRLFD-------TKNIIFVPEFLREGCSIYDNLYPSRIVVGDETV-----EGRKIAELFLSISTHSTANIKNVMLVSPTEAEAIKLFSNTFLALRVAFFNELDSFAERRSLNAEVVIKGVCLDPRIGNFYNNPSFGFGGYCLPKDTKQLKKEF--IEIN--APVIEAIDISNTNRKQFIVKQILER-----KPKIVGIYKLGMKYNSDNYKESAILSIINELLIVGIKILVYEPNLNVSID-------N----------VIFEKNFELFTKQSDLIVANRWDRGLEAYK--D----------KVYTRGIWIRD 3KHU Chain:B ((6-448)) KKICCIGAGYVGGPTCSVIAHMCPEIRVTVVDVNESRINAWNSPTLPIYEPGLKEVVESCRGKNLFFSTNIDDAIKEADLVFISVNTPTKTYGMGKGRAADLKYIEACARRIVQNSNGYKIVTEKSTVPVRAAESIRRIFDANTKPNLNLQVLSNPQFLAEGTAIKDLKNPDRVLIGGDETPEGQRAVQALCAVYEHWV----P-REKILTTNTWSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQRIGNKFLKASVGFGGSCFQKDVLNLVYLCEALNLPEVARYWQQVIDMNDYQRRRFASRIIDSLFNTVTDKKIAILGFAFKKDTGDTRESSSIYISKYLMDEGAHLHIYDPKVPREQIVVDLSHPGVSEDDQVSRLVTISKDPYEACDGAHAVVICTEWDMFKELDYERIHKKMLKPAFIFDGRRVLDG-

General information: TITO was launched using: RESULT: Template: 3KHU.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 : 1890 -6417 -3.39 -16.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -3.39 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3KHU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KHU-query.scw PDB file : Tito_Scwrl_3KHU.pdb: