Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKKLFRQDENILNSELAEDLPI--PRHVAIIMDGNGRWAKKRFLPRIAGHKEGMDVVKRVTRYANAIGIDVLTLYAFSTENWKRPTDEVDFLMKLPVEFFDSFVPELIEENVRVNVMGYRENLPDHTMRAVEKAIADTAHCTGLTLNFALNYGGRSEIITAAKEAMKELELEGKSADDLTEEKLNDHLMSSGLGDPDLLIRTSGELRLSNFMLWQLAYSEFYFTDTHWPDFSKEDFLQAIIEYQNRSRRFGGL
3SH0 Chain:B ((13-240))
--------------------LPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS------AQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE------
General information:
TITO was launched using:
RESULT:
Template:
3SH0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105480 for 1681 contacts (-62.7/contact) +
2D Compatibility (PS) -24233 + (NN) -10953 + (LL) 2036
1D Compatibility (HY) -13600 + (ID) 5150
Total energy: -157380.0 ( -93.62 by residue)
QMean score : 0.570
(partial model without unconserved sides chains):
PDB file :
Tito_3SH0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SH0-query.scw
PDB file :
Tito_Scwrl_3SH0.pdb
: