Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAA-PVLCGLNDVRGRDPAVCRLED--------RDYVVYSSVCSFFLPCPLMLLLYWATF----RGLQRWEVAR-----RAKLHGRAP-RRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGL-----PRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITG---------RERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC |
3NYA Chain:A ((50-462)) | ------------------------------------------LIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVP-FGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIWTLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRN------AKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQK------------RWDEAAVNLAK------SRWYNQTPNRAKRVITTFRTGTWDAYKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNL-IRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140202 for 2736 contacts (-51.2/contact) +
2D Compatibility (PS) -38451 + (NN) 508 + (LL) 1260
1D Compatibility (HY) -33200 + (ID) 5400
Total energy: -215485.0 ( -78.76 by residue)
QMean score : 0.141
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