Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPDSDAAPYEPVLEQTAQAWLVRLRGTPDAATRRAFEDWLAQRPAHAEAYARAEALWRLTEIPASRLAIEEADALEAYLRPRRASRNPRRWAYPLASVACLLAMLWLGGWWQPGDWLQDWRADYVAAPGQVAEWKLADGSYLSLDAGSAVRVRIDGGQRRVELLRGAAALRVKRDALPFVVEAGEGRARVLGTEFEVRRGAGATRVTVLQGRVAVSAGTGAGAAEEVLGAGQQVGFADGKLGRPVAIDAAAALAWRQG--WLSFYRRPLAEVLDELARYYPGRILLLDDALGRQPVSGSFRSDDPEAALKSLQAVLGYRQQILFGRLVVIR |
3GR5 Chain:A ((6-83)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLEKRLGKNEYFIITKSSPVRAILNDFAANYSIPVFISS-SVN-DDFSGEIKNEKPVKVLEKLSKLYHLTWYYDENILYIYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GR5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -59884 for 489 contacts (-122.5/contact) +
2D Compatibility (PS) -8148 + (NN) -3125 + (LL) 18636
1D Compatibility (HY) -6400 + (ID) 500
Total energy: -59421.0 ( -121.52 by residue)
QMean score : 0.393
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