Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWA---VSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFG-FFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGK-MNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM |
4XT3 Chain:A ((26-316)) | ------------------------------EDATPCVFTDVLNQSKPVTLFLYGVVFLFGSIGNFLVIFTITWRRRIQCSGDVYFINLAAADLLFVCTLPLWMQYLLDH---A----SVPCTLLTACFYVAMFASLCFITEIALDRYYAIVY------MRYRPVKQACLFSIFWWIFAVIIAIPHFMVVTKKDNQC--MTDYDYLEVSYPI-----ILNVELMLGAFVIPLSVISYCYYRISRIVAVSQSRHKGRIVRVLIAVVLVFIIFWLPYHLTLFVDTLKLLKWISSSCEFERSLKRALILTESLAFCHCCLNPLLYVFVGTKFR-------QELHCLLAE---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XT3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -245636 for 2083 contacts (-117.9/contact) +
2D Compatibility (PS) -28724 + (NN) -5508 + (LL) 4664
1D Compatibility (HY) -38800 + (ID) 5050
Total energy: -319054.0 ( -153.17 by residue)
QMean score : 0.246
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