Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEFILKIQAKDSKGLVSAISATIANKGYNIVKNDEFVDPLKQRFFMRLKIQKEMKPLNTEIKEQEERSLKTALFKALENFSELLIEVILTHKKNIILLATKESHCLGDLLLRVYGGELNAQILGVISNHEI--LRPLVEKFDIPYFYAPCVDQILHEKEVLATIKDLELKHKVSADLLVLAKYMRILSHDFTKRYENQILNIHHSFLPAFIGANPYQQAFERGVKVIGATAHFVNESLDAGPIILQDTLPINHNYSVEKMRLAGKDIEKLVLARALKLVLEDRVFVHENKTVVF
3KCQ Chain:A ((7-200))
-------------------------------------------------------------------------------------------KELRVGVLISGRGSNLEALAKAFST-ESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRK--PLDIEHISTVLRE------HDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDDGTVQC
General information:
TITO was launched using:
RESULT:
Template:
3KCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180439 for 1502 contacts (-120.1/contact) +
2D Compatibility (PS) -20473 + (NN) -8230 + (LL) 8992
1D Compatibility (HY) -11600 + (ID) 2800
Total energy: -214550.0 ( -142.84 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3KCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCQ-query.scw
PDB file :
Tito_Scwrl_3KCQ.pdb
: