Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
3JR2 Chain:A ((5-217))
---TKPMIQIALDQTNLTDAVAVASNVASYVDVIEVGTILAFAEGMKAVSTLRHNHPNHILVCDMKTTDGGAILSRMAFEAGADWITVSAAAHIATIAACKKVADEL-N--GEIQIEIYGNWTMQDAKAWVDLGITQAIYHRSRDAELAGIGWTTDDLDKMRQLSALGIELSITGGIVPEDIYLFEGIKTKTFIAGRALAGAEGQ-QTAAALREQIDRFW-
General information:
TITO was launched using:
RESULT:
Template:
3JR2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142511 for 1778 contacts (-80.2/contact) +
2D Compatibility (PS) -23200 + (NN) -10637 + (LL) 420
1D Compatibility (HY) -14400 + (ID) 4550
Total energy: -194878.0 ( -109.61 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_3JR2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JR2-query.scw
PDB file :
Tito_Scwrl_3JR2.pdb
: