Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMKKNQTMISEFLLLGLPIQPEQQNLFYALFLAVYLTTLLGNLLVIVLIRLDSHLHMPMYLCLSNLSFSDLCFSSVTMPKLLQNMQ-SQNPSIPFADCLAQMYFHLFYGVLESFLLVVMAYHCYVAICFPLHYTTI---MSPKCCLGLLTLSWLLTTAHATLHTLLMARLSFCAENVIPHFFCDTSTLLKLACSNTQVNGWVMFFMGGLILVIPFLLLIMSCARIVSTILRVPST-------------------------------------------------------------------------------------------------------------------------------------------------------------------GGIQKAFSTCGPHLSVVSLFYGTIIGLYLCPLTNH---NTVKDTVMAVMYTGVTHMLNPFIYSLRNRDMRGNPGQSLQHKENFFVFKIVIVGILPLLNLVGVVKLIMKYHSKSVA |
3PBL Chain:A ((41-472)) | --------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTT-------GDPTVCSISN------------PDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -259178 for 2000 contacts (-129.6/contact) +
2D Compatibility (PS) -25683 + (NN) -1392 + (LL) 7408
1D Compatibility (HY) -16800 + (ID) 2150
Total energy: -297795.0 ( -148.90 by residue)
QMean score : 0.321
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