Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKD--ASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
3FIU Chain:A ((6-248))
-DFSPKEYSQKLVNWLSDSCMNYPAEGFVIGLSGGIDSAVAASLAVKT-GLPTTALILPSDNNQHQDMQDALELIEMLNIEHYTISIQPAYEAFLASTQSFT-QLVIKGNAQARLRMMYLYAYAQQYNRIVIGTDNACEWYMGYFTKFGDGAADILPLVNLKKSQVFELGKYLDVPKNILDKAPSAGLWQGQTDEDEMGVTYQEIDDFLDGKQ-----------------VSAKALERINFWHNRSHHKRKLALTPNF----
General information:
TITO was launched using:
RESULT:
Template:
3FIU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129329 for 1883 contacts (-68.7/contact) +
2D Compatibility (PS) -24902 + (NN) -9671 + (LL) 2128
1D Compatibility (HY) -11200 + (ID) 4150
Total energy: -177124.0 ( -94.06 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3FIU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FIU-query.scw
PDB file :
Tito_Scwrl_3FIU.pdb
: