Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKELYRDSIVKSLKDKFNYGNIMQVPKLVKVCINMGVGGAATDNKAINEPFDDLYLIAGQKPVSTFAKKSISGFKIRKGATVGCKVTLRRDKMYEFLERLIYVALPREKDFRGFSVKQFDGNGNFSFGIKEHISFLEIDYDKISKIRGMDINIVTSAASDKEAKELLLAFKFPFFD
4XXB Chain:A ((13-133))
------------------------RELRIRKLCLNICVGESGD---RLTRAAKVLEQLTGQTPVFSKARYTVRSFGIRRNEKIAVHCTVRGAKAEEILEKGLKV---REYELR---KNNFSDTGNFGFGIQEHID-LGIKYDPSIGIYGLDFYVVLGRPGKHRISKEEAMRWFQQKY
General information:
TITO was launched using:
RESULT:
Template:
4XXB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65667 for 812 contacts (-80.9/contact) +
2D Compatibility (PS) -12516 + (NN) -756 + (LL) 1888
1D Compatibility (HY) -9200 + (ID) 2100
Total energy: -88351.0 ( -108.81 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_4XXB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XXB-query.scw
PDB file :
Tito_Scwrl_4XXB.pdb
: