Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MAESLITKKAIAGGLMELCQHKRFEKISIADITNICGLNRQTFYYHFTDKYDLLTWTYENDFFHCLADGITLGNWDKHVLKMLESIKENADFYKNTVSA-DASILSFCFSKLTNSLFMDLFEKIDTNATVNEADRVFYAEFFSYGCSGVLIKWITRGFK-EAPETIANQLF-RLAKDTEFLANSMYREN
3KKC Chain:A ((1-177))
SNAMVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLK-ELCEDLFHHLFKQGRDVTFEEYLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITK---VDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER--------------
General information:
TITO was launched using:
RESULT:
Template:
3KKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87978 for 1128 contacts (-78.0/contact) +
2D Compatibility (PS) -17439 + (NN) -7714 + (LL) 1456
1D Compatibility (HY) -10000 + (ID) 1850
Total energy: -123525.0 ( -109.51 by residue)
QMean score : 0.401
(partial model without unconserved sides chains):
PDB file :
Tito_3KKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKC-query.scw
PDB file :
Tito_Scwrl_3KKC.pdb
: