Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQEKAVIRDPKKLNAFDLRWIASLFGTAVGAGILFL-PIRAGGHGIWAIVVMSAIIFPLTYLGHRALAYFIGSKDKEDITMVVRSHFGAQWGFLITLLYFLAI-YPICLAYGVGITNVFDHFFTNQLHLAPFHRGLLAVALVSLMMLVMVFNATIVTRICNALVYPLCLILLLFSLYLIPYWQGANLFVVPSFKEFVLAIWLTLPVLVFSFNHSPIISTFTQNVGKEYGAFKEYKLNQIELGTSLMLLGFVMFFVFSCVMCLNADDFVKAREQNIPILSYFANTLNNPLINYAGPVVAFLAIFSSFFGHYYGAKEGLEGIIIQSLKLKQASKTLSVGVTIFLWLTITLVAYINPNILDFIENLGGPIIALILFVMPMIAFYSVSSLKRFRNFKVDIFVFVFGSLTALSVFLGLF |
2XQ2 Chain:A ((51-201)) | ---------------LPWWAVGASLIAANISAEQFIGMSGSGYSIGLAIA-SYEWMSAITLIIVGKYFLPIFIEKGIYTIPEFVEKRFNKKLKTILAVFWISLYIFVNLTSVLYLGGLALETILG----IP--LMYSILGLALFALVYSIYGG---VVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSVSEAQKGIVFAAFLALIVPFLVVLPGIAAYVITSDPQLMASLGNLPSAANADKAYPWLTQFLPVGVKGVVFAALAAAIVSSLASMLNSTATIFTMDIYKEYISPDSGDHKLVNVGRTAAVVALIIAALIAPMLGGIGQCFQYIQEYTGLVSPGILAVFLLGLFW |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XQ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95499 for 778 contacts (-122.7/contact) +
2D Compatibility (PS) -14775 + (NN) -3235 + (LL) 2132
1D Compatibility (HY) -7600 + (ID) 650
Total energy: -119627.0 ( -153.76 by residue)
QMean score : -0.040
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