Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNKKKLHGFFNFVRWLLVVLLIIVGLALVFNKPIRNAFIAHQSNHYQISRVSKKTIEKNKKSKTSYDFSSVKSISTESILSAQTKSHNLPVIGGIAIPDVEINLPIFKGLGNTELSYGAGTMKENQIMGGQNNYALASHHVFGLTGSSKMLFSPLEHAKKGMKVYLTDKSKVYTYTITEISKVTPEHVEVIDDTPGKSQLTLVTCTDP-EATERIIVHAELEKTGEFSTADESILKAFSKKYNQINL
2KW8 Chain:A ((75-209))
---------------------------------------------------------------------------------------DKKQVIGRISIPSVSLELPVLKSSTEKNLLSGAATVKENQVMG-KGNYALAGHNM----SKKGVLFSDIASLKKGDKIYLYDNENEYEYAVTGVSEVTPDKWEVVEDH-GKDEITLITCVSVKDNSKRYVVAGDLVGTKAKK-------------------
General information:
TITO was launched using:
RESULT:
Template:
2KW8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76652 for 1000 contacts (-76.7/contact) +
2D Compatibility (PS) -14355 + (NN) -4904 + (LL) 8120
1D Compatibility (HY) -13200 + (ID) 2800
Total energy: -103791.0 ( -103.79 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_2KW8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KW8-query.scw
PDB file :
Tito_Scwrl_2KW8.pdb
: