Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGIPEITAYPLPTAQQLPANLARWSLEPRRAVLLVHDMQRYFLRP---LPESLRAGLVANAARLRRWCVEQGVQIAYTAQ----PGSMTEEQRGLLKDFWGPGMRASPADREVVEELAPGPDDWLLTKWRYSAFFHSDLLQRMRAAGRDQLVLCGVYAHVGVLISTVDAYSNDIQPFLVADAIA--DFSEAH---------HRMALEYAASRCAMVVTTDEVLE
3IRV Chain:A ((13-214))
---------------------LVRWPINPLRTAVIVVDMQKVFCEPTGALYVKSTADIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDTGRMRDLYPNVDQILARHDP-DVEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMDYPDVGFGAVSAADVQRISLTTIAYEFGEVTTTAEVIR
General information:
TITO was launched using:
RESULT:
Template:
3IRV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148940 for 1469 contacts (-101.4/contact) +
2D Compatibility (PS) -19833 + (NN) -11374 + (LL) 1244
1D Compatibility (HY) -12000 + (ID) 2900
Total energy: -193803.0 ( -131.93 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_3IRV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IRV-query.scw
PDB file :
Tito_Scwrl_3IRV.pdb
: