Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAW-AAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQPD---LTAVFHAAGVLDDAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3SLK Chain:A ((467-762)) | VEAGPQRIGEMLHELVELFEGRVLEPLPVTAWDVRQAPEALRHLSQARHVGKLVLTMPPVWDAAGTVLVTGGTGALGAEVARHLVIERGVRNLVLVSRRGPAASGAAELVAQLTAYGAEVSLQACDVADRETLAKVLASIPDEHPLTAVVHAAGVLDDGVSESLTVERLDQVLRPKVDGARNLLELIDP-DV-ALVLFSSVSGVLGSGGQGNYAAANSFLDALAQQRQSRGLPTRSLAWGPWAE-HGMASTLREAEQDRLARSGLLPISTEEGLSQFDAACGGAHTVVAPVRFSR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SLK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140462 for 2047 contacts (-68.6/contact) +
2D Compatibility (PS) -30778 + (NN) -11887 + (LL) 12916
1D Compatibility (HY) -26400 + (ID) 8250
Total energy: -204861.0 ( -100.08 by residue)
QMean score : 0.440
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