Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPQAAAEDARNAMVAGLLASGISVNGLQPSHNPQVAAQMFTTATRLDPKMCDAWLARLLAGDQSIEVLAGAWAAVRTFGWETRRLGVTDLQFRPEVSDGLFLRLAITSVDSLACAYAAVLAEAKRYQEAAELLDATDPRHPFDAELVSYVRGVLYFRTKRWPDVLAQFPEATQWRHPELKAAGAAMATTALASLGVFEEAFRRAQEAIEGDRVPGAANIALYTQGMCLRHVGREEEAVELLRRVYSRDAKFTPAREALDNPNFRLILTDPETIEARTDPWDPDSAPTRAQTEAARHAEMAAKYLAEGDAELNAMLGMEQAKKEIKLIKSTTKVNLARAKMGLPVPVTSRHTLLLGPPGTGKTSVARAFTKQL-CGLTVLRKPLVVETSRTKLLGRYMADAEKNTEEMLEGALGGAVFFDEMHTLHEKGYSQGDPYGNAIINTLLLYMENHRDELVVFGAGYAKAMEKMLE-------------VNQGLRRRFSTVIEFFSYTPQELIALTQ----LMGRENEDVITEEESQVLLPSYTKFYMEQSYSEDGDLIRGIDLLGNAGFVRNVVEKARDHRSFRLDDEDLDAVLASDLTEFSEDQLRRFKELTREDLAEGLRAAVAEKKTK |
1IN4 Chain:A ((24-206)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LDEFIGQENVKKKLSL-------ALEAAKMRGEV---LDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGD-------MAAILTSLER------GDVLFIDEIHRLNK-----------AVEELLYSAIEDFQID---------------IQPFTLVGATTRSGLLSSPLRSRFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAE--------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -52220 for 998 contacts (-52.3/contact) +
2D Compatibility (PS) -16267 + (NN) -4283 + (LL) 34296
1D Compatibility (HY) -11200 + (ID) 2650
Total energy: -52324.0 ( -52.43 by residue)
QMean score : 0.476
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