Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTPADGPGPAATHIDIRTARDSARLALARHCPAGRFGLGSLRNAAADRRAHVFCAATPDA-RLVVKVFAPSG-GDKGRAQFARQDLVATA-LPGRAPEVLFYDDELRVLGMRYVDGPSLAEIWPTL--------TPPEQLAKLERAGDWLAAFHALTVAPHPFRP--RGP-LDWLIALAESHRQRRREIPDFAVFEQHVAELQGAFPRVRGTPSQRAILHRDLHLSNLMQTR-DGLV-GLDFENNRPDEPLRDLVWLLVDAMARGDPEQPPHPAASALAAGYRQIAARADAMIFIQRLVALGIWANTTTRPSQHNVARFVAARQIAGVKEPLFQV 5IWU Chain:A ((23-257)) ----------------------------------------TIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY--TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTPEEARMSMKQRMDAVRAKFGVGENL---WNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRAF-----GE----EGLEALILAYKEIGGY-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 870 -3451 -3.97 -15.76 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -3.97 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.245

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: