Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRS-EISEDLIAEFAD-YGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
2PNF Chain:B ((3-247))
IKLQGKVSLVTGSTRGIGRAIAEKLASAGSTVIITGTSGERAKAVAEEIANKYGVKAHGVEMNLLSEESINKAFEEIYNLVDGIDILVNNAGITRDKLFLRMSLLDWEEVLKVNLTGTFLVTQNSLRKMIKQRWGRIVNISSVVGFTGNVGQVNYSTTKAGLIGFTKSLAKELAPRNVLVNAVAPGFIETDMTAVLSEEIKQKYKEQIPLGRFGSPEEVANVVLFLCSELASYITGEVIHVNGGMF--
General information:
TITO was launched using:
RESULT:
Template:
2PNF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126754 for 2058 contacts (-61.6/contact) +
2D Compatibility (PS) -25969 + (NN) -6098 + (LL) 260
1D Compatibility (HY) -25200 + (ID) 6050
Total energy: -189811.0 ( -92.23 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_2PNF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PNF-query.scw
PDB file :
Tito_Scwrl_2PNF.pdb
: