Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSQLKPQEVVRLGDIQMANHLPFVLFGGMNVLESKDLAFEIAETYIDICKRL-DIPYVFKASFDKANRSSLHSFRGPGLEKGIEWLGDIKKHFNVPIITDVHEPYQAAPVAEVADIIQLPAFLSRQTDLVEAMAKTQAIINIKKAQFLAPHEMRHILHKCLEVGNDKLILCERGSAFGYNNLVVDMLGFDIMKEMNVPVFFDVTHALQTPGGRSDSAGGRRAQITTLARAGMATGLAGLFLESHPDPDKAKCDGPSALRLSQLEPFLAQLKELDTLVKGFKKLDTH
2A2I Chain:B ((4-253))----------------------FLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQW-AKVIYDATHSVQLPG-------GMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEI-------------


General information:
TITO was launched using:
RESULT:

Template: 2A2I.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 : 1401 -13589 -9.70 -56.15
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.83

3D Compatibility (PKB) : -9.70
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.530

(partial model without unconserved sides chains):
PDB file : Tito_2A2I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2A2I-query.scw
PDB file : Tito_Scwrl_2A2I.pdb: