Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMFPVELDNVTVAYH--KKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKD------QRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQ------NADIYFMDEPFAGVDAATERAIMTLLAEL-KEKGKTVLVVHHDLQTAEDYFDWILLLHLRK-IAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
4G1U Chain:D ((12-249))-----LEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTR---AVMRQYSELAFPFSVSEVIQMGRAPYGGSQDRQALQQV-MAQTDCLALAQRDYRV-----LSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADL--------------


General information:
TITO was launched using:
RESULT:

Template: 4G1U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1123 -20206 -17.99 -91.02
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain D : 0.76

3D Compatibility (PKB) : -17.99
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.463

(partial model without unconserved sides chains):
PDB file : Tito_4G1U.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4G1U-query.scw
PDB file : Tito_Scwrl_4G1U.pdb: