Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MADSGLDKKSTKCPDCSSASQKDVLCVCSSKTRVPPVLVVEMSQTSSIGSAESLISLERKKEKNINRDITSRKDLPSRTSNVERKASQQQWGRGNFTEGKVPHIRIENGAAI-EEIYTFGRILGKGSFGIVIEATDKETETKWAIKKVNKEKAGSSAVK-LLEREVNILKSVKHEHIIHLEQVFETPKKMYLVMELCEDGEL-KEILDRKGHFSENETRWIIQSLASAIAYLHNNDIVHRDLKLENIMVKSSLIDDNNEINLNIKVTDFGLAVKKQSRSEAMLQATCGTPIYMAPEVISAHDYSQQCDIWSIGVVMYMLLRGEPPFLASSEEKLFELIRKGELHFENAVWNSISDCAKSVLKQLMKVDPAHRITAKELLDNQWLTGNKLSSVRPTNVLEMMKEWKNNPESVEENTTEEKNKPSTEEKLKSYQPWGNVPDANYTSDEEEEKQSTAYEKQFPATSKDNFDMCSSSFTSSKLLPAEIKGEMEKTPVTPSQGTATKYPAKSGALSRTKKKL |
| 3UPX Chain:A ((21-285)) | -------------------------------------------------------------------------------------------------------------TAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRK-RFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKD------ANIRIIDFGLSTHFEASKK--MKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWI------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3UPX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -142382 for 2031 contacts (-70.1/contact) +
2D Compatibility (PS) -27883 + (NN) -8804 + (LL) 11624
1D Compatibility (HY) -25200 + (ID) 5300
Total energy: -197945.0 ( -97.46 by residue)
QMean score : 0.456
|
|
|