Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGYWRQRRALGGRRTAVRAPRGRLLLWCAQARRHPLSRRMESSMTLSLDLLLSLCTALAIGLLIGAERGWQERDHEDARQIAGIRTFSLAGLLGGFATLLAGELGSAVWVALLLALAALAVAGYVSDVRRGGDQGMTTEIALLMTFLLGSLALTEQRLLAAAGGIVLTLLLSLKDKLHALLK--RLTAEELSGTLKLLFISVVLLPVLPNQGYGPWAFFNPYLTWWMVVLIAALGFSAYLAIRLIGSRKGLLLTAVLGGLVSSTVMTLTLARLRERMPDALLACALLATSALMFPRILVEIGAIHPALLKELALPFAATTLVYLGGTLFHALRGGRASQEAPDEPGLRNPFELLPALRFAALLSAILLLVEVGRRLFGDAGIYAVALLSGLADVDAITLSLARAAQGELDPGVASRGIALAALSNSLVKAGLVVLVGGKRLALQTLPFSLAGLLVGALLILL |
3TH1 Chain:A ((10-40)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------GAIVEAVRKILLDKRVTEAEYRAGVDYLTEVAQTRETALLLDVFLNSTIIEGKAQRSRTSAPAIQGPYFLEGAPVVEGVLKTYDTDDHKPLIIRGTVRSDTGELLAGAVIDVWHSTPDGLYSGIHDNIPVDYYRGKLVTDSQGNYRVRTTMPVPYQIPYEGPTGRLLGHLGSHTWRPAHVHFKVRKDGFEPLTTQYYFEGGKWVDDDCCHGVTPDLITPETIEDGVRVMTLDFVIER------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TH1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1479 for 110 contacts (-13.4/contact) +
2D Compatibility (PS) -3158 + (NN) -3505 + (LL) 19228
1D Compatibility (HY) -2400 + (ID) 250
Total energy: 8436.0 ( 76.69 by residue)
QMean score : 0.409
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