Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPV-TKMTAKRLAG-KKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRD-------PETLKAVEYFAKLPQDITER--QIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
3G6W Chain:A ((3-216))
---LYVIDKPITLHILTQLRDKYTDQINFRKNLVRLGRILGYEISNTLDYEIVEVETPLGVKTKGVDITDLNNIVIINILRAAVPLVEGLLKAFPKARQGVIGASRVEVDGKEVPKDMDVYIYYKKIP-DIRAKVDNVIIADPMIATASTMLKVLEEVVKANPKRIYIVSIISSEYGVNKILSKYPFIYLFTVAIDPELNNKGYILPGLGDAGDRAFG--
General information:
TITO was launched using:
RESULT:
Template:
3G6W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174500 for 1651 contacts (-105.7/contact) +
2D Compatibility (PS) -21612 + (NN) -1763 + (LL) 480
1D Compatibility (HY) -18400 + (ID) 3550
Total energy: -219345.0 ( -132.86 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_3G6W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3G6W-query.scw
PDB file :
Tito_Scwrl_3G6W.pdb
: