Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGVGKMASAIIQGLKQTQHDIVISGSCLERSKEIAERLDVTYAESHQSL--INQADIIMLGIKPQLFEKVLLPLDITKPII-SMAAGISLARLSQLTRSDLPLIRIMPNINAQILQSCTAICYNNHVSDELRQLTKEITDSFGSSFDIA-ETNFDTFTALAGSSPAYIYLFIEALAKAGVKYGFPKEQALSIVGQTVLASSQNLLQGQNSTSDLIDNICSPGGTTIAGLLDLEKNGLTHSVISAIDATIEKAKKL
2AG8 Chain:A ((20-257))
------------------VKQGGYRIYIANRGAEKRERLEKELGV---ETSATLPELHSDDVLILAVKPQDMEAACKNIRTNGALVLSVAAGLSVGTLSRYLGGTRRIVRVMPNTPGKIGLGVSGMYAEAEVSETDRRIADRIMKSVGLTVWLDDEEKMHGITGISGSGPAYVFYLLDALQNAAIRQGFDMAEARALSLATFKGAVALAEQTGEDFEKLQKNVTSKGGTTHEAVEAFRRHRVAEAISEGVCACVRRSQEM
General information:
TITO was launched using:
RESULT:
Template:
2AG8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118568 for 1537 contacts (-77.1/contact) +
2D Compatibility (PS) -25080 + (NN) -5926 + (LL) 1736
1D Compatibility (HY) -15200 + (ID) 2800
Total energy: -165838.0 ( -107.90 by residue)
QMean score : 0.386
(partial model without unconserved sides chains):
PDB file :
Tito_2AG8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AG8-query.scw
PDB file :
Tito_Scwrl_2AG8.pdb
: