Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADSGLDKKSTKCPDCSSASQKDVLCVCSSKTRVPPVLVVEMSQTSSIGSAESLISLERKKEKNINRDITSRKDLPSRTSNVERKASQQQWGRGNFTEGKVPHIRIENGAAI-EEIYTFGRILGKGSFGIVIEATDKETETKWAIKKVNKEKAGSSAVK-LLEREVNILKSVKHEHIIHLEQVFETPKKMYLVMELCEDGEL-KEILDRKGHFSENETRWIIQSLASAIAYLHNNDIVHRDLKLENIMVKSSLIDDNNEINLNIKVTDFGLAVKKQSRSEAMLQATCGTPIYMAPEVISAHDYSQQCDIWSIGVVMYMLLRGEPPFLASSEEKLFELIRKGELHFENAVWNSISDCAKSVLKQLMKVDPAHRITAKELLDNQWLTGNKLSSVRPTNVLEMMKEWKNNPESVEENTTEEKNKPSTEEKLKSYQPWGNVPDANYTSDEEEEKQSTAYEKQFPATSKDNFDMCSSSFTSSKLLPAEIKGEMEKTPVTPSQGTATKYPAKSGALSRTKKKL |
3MA6 Chain:A ((29-291)) | ---------------------------------------------------------------------------------------------------------------IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRK-RFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKD------ANIRIIDFGLSTHFE-SKK--MKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWI------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MA6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144337 for 1997 contacts (-72.3/contact) +
2D Compatibility (PS) -27452 + (NN) -6983 + (LL) 11884
1D Compatibility (HY) -25200 + (ID) 5250
Total energy: -197338.0 ( -98.82 by residue)
QMean score : 0.503
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