Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPAMDGTAAEPRPGAGSLQHAQPPPQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLTAYLPAMSEDDEDCYGNYDNLLSQFGCMQVSSSSSSHSLSASDTGLPQRSGSNIEQYIHDLDSNSFELDLQFSEDEKRLLLEKQAGGNPWHQFVENNLILKMGPVDKRKGLFARRRQLLLTEGPHLYYVDPVNKVLKGEIPWSQELRPEAKNFKTFFVHTPNRTYYLMDPSGNAHKWCRKIQEVWRQRYQSHPDAAVQ |
2OH0 Chain:E ((34-309)) | -----------------------------------------------------------------------PAQNTAHLDQFERIKTLGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRV-----KGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLK-NGVNDIKNHKWFATTDWIAIYQR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OH0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162604 for 2214 contacts (-73.4/contact) +
2D Compatibility (PS) -28777 + (NN) -11858 + (LL) 12992
1D Compatibility (HY) -27600 + (ID) 5300
Total energy: -223147.0 ( -100.79 by residue)
QMean score : 0.456
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