Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
1NFQ Chain:B ((2-237))
-SGRLTGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDE--EGKAMAAELADAARYVHLDVTQPAQWKAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHGYTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWVPEDIFQTAL-----GRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGG---
General information:
TITO was launched using:
RESULT:
Template:
1NFQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114570 for 2049 contacts (-55.9/contact) +
2D Compatibility (PS) -24991 + (NN) -3921 + (LL) 1348
1D Compatibility (HY) -15600 + (ID) 5000
Total energy: -162734.0 ( -79.42 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_1NFQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NFQ-query.scw
PDB file :
Tito_Scwrl_1NFQ.pdb
: