Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFGSNDDKKAPQGGEKKGLFGWWRKKPQAGEQPADQPVEPVSETAAAEQRAPADDVAQSLTEQPGRQQPSAAEPAEPPAPVAEAPLAGDEPASAEEHSPRPEAPVAQPEPILAAEPEPEPEPEPEPEPEPVAPLAAAPAVSEPATRPGFFARLRQGLSKTSASIGEGMASLFLGRKEIDDDLLDDIETRLLTADVGVEATTLIVQNLTKRVARKEL--------ADSGALYKALQEELASLLRPVEQPLQVDVAREPYVILVVGVNGVGKTTTIGKLAKKLQLEGKKVMLAAGDTFRAAAVEQLQVWGERNRIPVIAQHTGADSASVIFDAVQAAKARGIDVLIADTAGRLHTKDN-LMEELKKVRRVIGKLDETAPHEVLLVLDAGTGQNAINQAKQFNLAVELTGLALTKLDGTAKGGVIFALAKQFGLPIRYIGVGEGIDDLRTFEADAFVQALFAERENA |
3DM5 Chain:B ((30-295)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELVRDIQRALIQADVNVR----LVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGTEAKP--IEIKEKPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEKDAIKLAKEGVDYFKSKGVDIIIVDTAGR-HKEDKALIE-MKQISNVI------HPHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLLGLGDIQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DM5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167580 for 2170 contacts (-77.2/contact) +
2D Compatibility (PS) -28427 + (NN) -16391 + (LL) 8452
1D Compatibility (HY) -22400 + (ID) 5050
Total energy: -231396.0 ( -106.63 by residue)
QMean score : 0.622
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