Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------------------------------------------------MSYVVARMAKYKSGQLTAIYNH-----------NERIFKNHSNKEIDVEKSHLNYELTNRDQAQNYHKQIKEHINENRLSTRGVRKDAILCN---EWIITSDKTFFNSLDEKQTREFFDTAKDYFAEKYG----------DA-NIAYARVHL-DEST-PHMHLGIVP-MKNGKLSSKALFGNKEKLVAIQDELPKYLNEHGFNLQRGEIGSKKKHLET-AEFKEKQRLLDNADRKLADK-HEE--LKALDDKISNV-NDTIA-DKESRLKELEAKEWDAVGDLKQY-----ELEKQSLAESIEDIKDIELLQLDRIQK------------EDLVKQSFDGKLKMDKETYNRLFQTAS--KHASSNAELKRDLVKAQSQNNHLSRE--LLNHRKTAEK-NIKLSQENRKLKDKVKML--DEQVKILNKSLSVWKEKAKEFMPKQVYRETLSIINTLNP------IGLAKTAIRQVKKMVDSNS------ |
3VWA Chain:A ((1-540)) | PLHMSISNFQFPYTIEETAITETALWQCFDGTRKADSLPVTVFKAKRSPENESLILNAVHKSKILKIPGLCTVLETFDSDPQSTFIVTERVVPFPWDNLGSLSQNKFGVELGISQLLATLGF-LKNFV----LGT--LSKDSVFINIKGEWVLFGLE-LCSSKEGLSAFEFASRARSYYNIIGSQLPCEDPNTIDSMGLGLLIKSLMAPSCLPKDWIVNVNMISDGKITIENF---RKRLENTETWRSNPLINFYQELRELHIKDPQGKLVVMSNLENLYLESREIFRNLTPGMIENFIIPELCEIIKLLMTQSISSNASHKLVPFLAIVLDLTSETNTFPVGFNDLITQSFKLPDRQVRFLLLIYLPKLIGPLSKSEISSRIYPHFIQGLTDSDATLRLQTLKTIPCIVSCLTERQLNNELLRFLAKTQVDSDVEIRTWTVIIISKISTILSTSVGNRSNILATAFTKSLKDPQVKPRLAALYGLEKSIELFDVNTIANKILTVIAPGLLDKSPIVRGRAKILFEEYLEKLEKEAQLIQTN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VWA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 97238 for 2911 contacts (33.4/contact) +
2D Compatibility (PS) -43235 + (NN) -23237 + (LL) 24
1D Compatibility (HY) -18400 + (ID) 3500
Total energy: 8890.0 ( 3.05 by residue)
QMean score : 0.291
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