Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIE-TKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNR----FAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1S17 Chain:A ((14-179))
-AILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSED-----KSEPRVFINPEFEPLTEEMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEV----AEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQ---
General information:
TITO was launched using:
RESULT:
Template:
1S17.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75069 for 1243 contacts (-60.4/contact) +
2D Compatibility (PS) -17460 + (NN) -3744 + (LL) 1036
1D Compatibility (HY) -14400 + (ID) 4000
Total energy: -113637.0 ( -91.42 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_1S17.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S17-query.scw
PDB file :
Tito_Scwrl_1S17.pdb
: