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



Input alignment information:
Query sequence------MTQAALAPGGFDEFEMHQVLKRGCAAVGLDSSEARLLRGHTNAVIHLVKEHVVVKIARKGSRI-----DDVARTVRFVRWLMDA-GFPTVSLHPVDQPVGVGQHALTFWEYLP--QPSDPVPAA-------------------QLAKPLYSLHTLPASPEALPAHDN--LAAIRRSLKSITCLSDEAL---AFLNGSTEQLESALHVVQFELPEGVIQGDPQHRNALHTASGGAVLCDWDTVAIGQPEWDLVTVEVHCRRFGHGSQH---------------YEAFANTYGWDVTRWSGYQTLAAIRELRMITTNARKVSDAPTSLQEVERRVEGLRCHDRALR-WNIL
3ATS Chain:A ((1-357))TLPAVISRWLSSVLPGGAAPEVTVESGV---DSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH


General information:
TITO was launched using:
RESULT:

Template: 3ATS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1351 -29479 -21.82 -98.92
target 2D structure prediction score : 0.54
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -21.82
2D Compatibility (Sec. Struct. Predict.) : 0.54
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.207

(partial model without unconserved sides chains):
PDB file : Tito_3ATS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3ats-query.scw
PDB file : Tito_Scwrl_3ATS.pdb: