Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVRLAFPNEIDQIMLLIEEARAEIAKTGSDQWQKEDGYPNRNDIIDDIL---NGYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIE---GH-KGPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEKGETSIYREIDERNPM
3DSB Chain:A ((7-149))
IEIREARMDDLDTIAKFNYNLAKETEGKE---LD--MD-VLTKGVKALLLDERKGKYHVYTVFDKVVAQIMYTYEWSDW-----------RNGNFLWIQSVYVDKEYRRKGIFNYLFNYIKNICDKDENIVGMRLYVEKENINAKATYESLNMYECDYNMYEYEVIH----------------------
General information:
TITO was launched using:
RESULT:
Template:
3DSB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67512 for 880 contacts (-76.7/contact) +
2D Compatibility (PS) -14723 + (NN) -4656 + (LL) 2812
1D Compatibility (HY) -4800 + (ID) 800
Total energy: -89679.0 ( -101.91 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_3DSB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DSB-query.scw
PDB file :
Tito_Scwrl_3DSB.pdb
: