Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLERYANEEMKALWNEQTKFETYLEVEKAVVRAWNKLGQIQDSDCEKICLKAAFNLERIKEIEKTTKHDLIAFTTCVAESLGEESRFFHYGITSSDCIDTAMALLMTKSLKLIQKGVKNLYETLKNRALEHQDTLMVGRSHGVFGEPITFGLVLALFADEIKRHLKALDLTMEFISVGAISGAMGNFAHAPLELEELACGFLGLKTANISNQVIQRDRYARLACDLALLASSCEKIAVNIRHLQRSEVYEVEEAFSAGQKGSSAMPHKRNPILSENITGLCRVIRSFTTPMLENVALWHERDMSHSSVERFALPDLFITSDFMLSRLNSVIENLVVYPKNMLKNLALSGGLVFSQRVLLELPKKGLSREESYSIVQENAMKIWEVLQQGAFKNADENLFLNALLNDERLKKYLNESEIRACFDYSYYTKNVGAIFKRVFG |
1C3U Chain:A ((2-427)) | -VERYSLSPMKDLWTEEAKYRRWLEVELAVTRAYEELGMIPKGVTERIRNNAKIDVELFKKIEEKTNHDVVAFVEGIGSMIGEDSRFFHYGLTSSDVLDTANSLALVEAGKILLESLKEFCDVLWEVANRYKHTPTIGRTHGVHAEPTSFGLKVLGWYSEMKRNVQRLERAIEEVSYGKISGAVGNYANVPPEVEEKALSYLGLKPEPVSTQVVPRDRHAFYLSTLAIVAAGIERIAVEIRHLQRTEVLEVEEPFR------SAMPHKKNPITCERLTGLSRMMRAYVDPSLENIALWHERDISHSSVERYVFPDATQTLYYMIVTATNVVRNMKVNEERMKKNIDLTKGLVFSQRVLLKLIEKGLTRKEAYDIVQRNALKTWN----------SEKHFLEYLLEDEEVKKLVTKEELEELFDISYYLKHVDHIFERFEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1C3U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244050 for 3432 contacts (-71.1/contact) +
2D Compatibility (PS) -44898 + (NN) -20454 + (LL) 1004
1D Compatibility (HY) -37600 + (ID) 10100
Total energy: -356098.0 ( -103.76 by residue)
QMean score : 0.520
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