Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGIPEITAYPLPTAQQLPANLARWSLEPRRAVLLVHDMQRYFLRPLPE---SLRAGLVANAARLRRWCVEQGVQIAYTAQPGSMTEE-----QRGLLKDFWG-PGMRASPADREVVEELAPGPDDWLLTKWRYSAFFHSDLLQRMRAAGRDQLVLCGVYAHVGVLISTVDAYSNDIQPFLVADAIADFSEAHHRMALEYAASRCAMVVTTDEVLE
1NBA Chain:A ((40-228))
--------------------------GYGNRPAVIHIDLANAWTQPGHPFSCPGMETIIPNVQRINEAARAKGVPVFYTTNVYRNRDASSGTNDMGLWYSKIPTETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLELFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGVVQWNLYDIDNKFGDVESTDSVVQ
General information:
TITO was launched using:
RESULT:
Template:
1NBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138914 for 1453 contacts (-95.6/contact) +
2D Compatibility (PS) -19475 + (NN) -11167 + (LL) 1648
1D Compatibility (HY) -3200 + (ID) 1750
Total energy: -172858.0 ( -118.97 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_1NBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NBA-query.scw
PDB file :
Tito_Scwrl_1NBA.pdb
: