Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDY-QKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAP-YDKIFGS--HFKDASLTR----KGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
3FIU Chain:B ((10-217))
--KEYSQKLVNWLSDSC-MNYPAEGF---VIGLSGGIDSAVAASLAVKTGLPTT-ALILPSDNNQHQDMQDALELIEMLNIEHYTISIQPAYEAFLASTQSFT------QLVIKGNAQARLRMMYLYAYAQQYNRIVIGTDNACEWYMGYFTKFGDGAADILPLVNLKKSQVFELGKYLDVPKNILDKAPSAGLWQGQTDEDEMGVTYQEIDDFLDGKQVSAKALERINFWHNRSHHKRKLALTPNF---------------------
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) -111839 for 1570 contacts (-71.2/contact) +
2D Compatibility (PS) -20317 + (NN) -8045 + (LL) 3092
1D Compatibility (HY) -15600 + (ID) 4400
Total energy: -157109.0 ( -100.07 by residue)
QMean score : 0.490
(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
: