Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATCWQALWAYRSYLIVFFVPILLLPLPILVPSKEAYCAYAIILMALFWCTEALPLAVTALFPLILFPMMGIVDASEVAVEYLKDSNLLFFGGLLVAIAVEHWNLHKRIALRVLLIVGVRPAPLILGFMLVTAFLSMWISNTATSAMMVPIAHAVLDQLHSSQASSNVEEGSNNPTFELQEPSPQKEVTKLDNGQA--LPVTSASSEGRAHLSQKHLHLTQCMSLCVCYSASIGGIATLTGTAPNLVLQGQINSLFPQNGNVVNFASWFSFAFPTMVILLLLAWLWLQILFLGFNFRKNFGIGEKMQEQQQAAYCVIQTEHRLLGPMTFAEKAISILFVILVLLWFTREPGFFLGWGNLAFPNAKGESMVSDGTVAIFIGIIMFIIPSKFPGLTQDPENPGKLKAPLGLLDWKTVNQKMPWNIVLLLGGGYALAKGSERSGLSEWLGNKLTPLQSVPAPAIAIILSLLVATFTECTSNVATTTIFLPILASMAQAICLHPLYVMLPCTLATSLAFMLPVATPPNAIVFSFGDLKVLDMARAGFLLNIIGVLIIALAINSWGIPLFSLHSFPSWAQSNTTAQCLPSLANTTTPSP |
4AK1 Chain:A ((462-529)) | ----------------------------------------------------------------------------------------------------------------------------------------------------VPTATDAKDGLSSLKWEVELKHNPNNTKATINESTGQITITGLKQGQCGMVMVTATAGEGKTAVSVKQPVFFHFSMISDSNVQLEYTPFVFQVNPARGGESIAPSLGAGIDKSTFRLDYRRDFFYYNIAGPDSHISGALAQKVDNFLSEMWNSYDATAGTSRKPMSYFENTTNLSKALGYIDQTDFKVHINPNLWRNKDGYANGAMIGQITYDVTGKDPQAATSGARVSPIFIWFDTKF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AK1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 19353 for 363 contacts (53.3/contact) +
2D Compatibility (PS) -6819 + (NN) 824 + (LL) 30932
1D Compatibility (HY) -2000 + (ID) 1000
Total energy: 41290.0 ( 113.75 by residue)
QMean score : 0.173
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