Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRILVTGGVRSGKSTHAEALLGDAA---DVVYVAPGRPAAGSDP----DWDARVALH-RARRPPTWLTVET-ADVATALSEARSPVLVDCLGTWLTAIMDGEALWSAATADVYAVLEARLDGLCAALTGLP-TAIVVTNEVGLGVVPSHSSGVLFRDLLGTINRR--------------VAAVCDEVHLVIAGRVLKL
3TUI Chain:C ((56-243))
-IYGVIGASGAGKSTLIRCVNLLERPTEGSVLVD-GQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDK-HDSYP-SNLSGGQKQRVAIARAL--ASNPKVLLCDQATSALDPAT--TRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELI--
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89835 for 1138 contacts (-78.9/contact) +
2D Compatibility (PS) -17360 + (NN) -4607 + (LL) 452
1D Compatibility (HY) -4400 + (ID) 1400
Total energy: -117150.0 ( -102.94 by residue)
QMean score : 0.252
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: