Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDL-FDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYT--EYQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4NPC Chain:B ((16-263))
---IDLNFPLSEKVAIVTGGASGIGAAISKAFIAKGAKVAVLDISADIAKAKAEELGEN---AKPFVCDVSSQQSVNDAITAVISQFGKIDIAVNSAGVVYLAPAEDISLDYWDKTININLKGSFLVTQAVGRAMIAAGNGGKIINLASQAGTVA-IEEHVA-YCASKFGVIGMSKTFAAEWGKYGICVNTLSPTIVLTELGKKAWAGEKGEAAKKRIPAGRFAYPEEIAAAAVFLASAGADMITGADLLIDGGYT--
General information:
TITO was launched using:
RESULT:
Template:
4NPC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -186577 for 2178 contacts (-85.7/contact) +
2D Compatibility (PS) -26935 + (NN) -12832 + (LL) -28
1D Compatibility (HY) -16800 + (ID) 4900
Total energy: -248072.0 ( -113.90 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_4NPC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NPC-query.scw
PDB file :
Tito_Scwrl_4NPC.pdb
: