Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRVENLSIRRGGKTVL-EGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSG----RERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFAR-RGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
2NQ2 Chain:C ((5-233))
-LSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQG-------------KIEVYQSIGFVPQFFSSPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIA-----SECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLL-NKQNFKFGETRNILTSENLTALFHLPMFEQQ------------
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) -153406 for 1741 contacts (-88.1/contact) +
2D Compatibility (PS) -24150 + (NN) -11126 + (LL) 1840
1D Compatibility (HY) -18000 + (ID) 4100
Total energy: -208942.0 ( -120.01 by residue)
QMean score : 0.473
(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
: