Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVITVKNDIEGGKIAFTLLEEKMKAGAQT------LGLATGSSPITFYEEIVK----SNLDFSNMVSINLDEYVGIAASNDQSYSYFMHKHLFDAK--PFKENNLPNGLAKDLKEEIKRYDAVINA-NPIDFQILGIGRNGHIGFNEPGTPFDITTHVVDLAPSTIEANSRFF-NSIDDVPKQALSMGIGSIMKSKTIVLVAYGIEKAEAIASMIKGPITEDMPASILQKHDDVVIIVDEAAASKL
2WU1 Chain:B ((1-247))
MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCDEPSTMEL
General information:
TITO was launched using:
RESULT:
Template:
2WU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141803 for 1942 contacts (-73.0/contact) +
2D Compatibility (PS) -25611 + (NN) -16955 + (LL) 0
1D Compatibility (HY) -20400 + (ID) 4050
Total energy: -208819.0 ( -107.53 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_2WU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WU1-query.scw
PDB file :
Tito_Scwrl_2WU1.pdb
: