Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSALELKNVSFS-RKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
2NQ2 Chain:C ((2-227))
-NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKI-------------EVYQSIGFVPQFFSSPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLL-NKQNFKFGETRNILTSENLTALFHL-----------------------
General information:
TITO was launched using:
RESULT:
Template:
2NQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172972 for 1784 contacts (-97.0/contact) +
2D Compatibility (PS) -24500 + (NN) -12093 + (LL) 2536
1D Compatibility (HY) -18800 + (ID) 3700
Total energy: -229529.0 ( -128.66 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_2NQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NQ2-query.scw
PDB file :
Tito_Scwrl_2NQ2.pdb
: