Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDIVLATGGTGGHIFPAITLARAIKRQGYDSILFADKKTGK-NTD-V-KDYTLPLNKPGG-------------------NKFRFF----L---LLIYSCVLALYQIRKLKPKLVIGFGGYASFPTLLAAKVLSIPIILHEQNAV-LGRV----NKFFFNSAELIA---------TSFPETKYAKG-----------NKCVFIGN-FVDI--KAKSH-S-S-TKKILTVLIIAGSQGANFFDDVVSSVICNLPIEIRKKIRVVQQCMKKNMNKVEGLYKGGQVICELSEFFDDMGSRLTDAHLVISRAGATSIAEITLARRPAIYIPYPCSKDDHQFYNAEYIKDSGAAVVVEQNSEVKKNLTKLLVNLLGDSQKLRDMANNTKKIRIKNGVTEFIRIVIHKLG |
3OTG Chain:A ((21-407)) | MRVLFASLGTHGHTYPLLPLATAARAAGHEVTFATGEGFAGTLRKLGFEPVATGMPVFDGFLAALRIRFDTDSPEGLTPEQLSELPQIVFGRVIPQRVFDELQPVIERLRPDLVVQEI-SN-YGAGLAALKAGIPTICHGVGRDTPDDLTRSIEEEVRGLAQRLGLDLPPGRIDGFGNPFIDIFPPSLQEPEFRARPRRHELRPVPFAEQGDLPAWLSSRDTARPLVYLTLGTSSGGTV--EVLRAAIDGLAGL---DADVLVASGPSLDVS---GLGEVPANVRLESWVPQ-AALLPHVDLVVHHGGSGTTLGALGAGVPQLSFPWA----GDSFANAQAVAQAGAGDHLLPDNISPDSVSGAAKRLLAEESYRAGARAVAAEIAAMPGPDEVVRLLPGFAS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OTG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172573 for 2811 contacts (-61.4/contact) +
2D Compatibility (PS) -35111 + (NN) -11908 + (LL) 572
1D Compatibility (HY) -400 + (ID) 2700
Total energy: -222120.0 ( -79.02 by residue)
QMean score : 0.442
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