Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTPADGPGPAATHIDIRTARDSARLALARHCPAGR--------FGLGSLRNAAADRRAHVFCAATPDA-RLVVKVFAPSGGDKGRAQFARQDLVATALPGRAPEVLFYDDELRVLGMRYVDGPSLAEIWPTLTPPEQLAKLERAGDWLAAFHALTVAPHPFRPRGPLDWLIALAESHRQRRREIPDFAVFEQHVAELQGAFPRVRGTP-SQRAILHRDLHLSNLMQTRDGL-------VGLDFENN-RPDEPLRDLVWLLVDAMARGDPEQPPHPAASALAAGYRQIAARADAMIFIQRLVAL----GIWANTTTRPSQHNVARF-VAARQIAGVKEPLFQV----- 4QPP Chain:A ((48-376)) YYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVS---EWMGYGL--LHESMLSSVLHARTKW-----LKEGGLLLPASAELFIVPISD---QMLEWRLGFWSQVKQHYG--VDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGESEKPLVLSTSP----FHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED

General information: TITO was launched using: RESULT: Template: 4QPP.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 : 1540 -43965 -28.55 -146.06 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -28.55 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_4QPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4qpp-query.scw PDB file : Tito_Scwrl_4QPP.pdb: