Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIELDINASDKSLSHRAVIFSLLAQKPCFVRNFLMGEDCLSSLEIAQNLGAKVENTAKNSFKI--TPPTTIKEPNKILNCNNSGTSMRLYSGLLSAQKGLFVLSGDNSLNARPMKRIIEPLKAFGAKILGREDNHFAPLAIVGGPLKA-CDYESPIASAQVKSAFILSALQAQGISAYKESELSRNHTEIMLKSLGANIQ---NQDGVLKISPLEK--PLESFDFTIANDPSSAFFLALACAITPKSRLLLKNVLLNPTRIEAFEVLKKMGAHIEYVIQSK--DLEVIGDIYIEHAPLKAISIDQNIA-SLIDEIPALSIAMLFAKGKSMVRNAKDLRAKESDRIKAVVSNFKALGIECEEFEDGFYIEGLGDASQLKQHFSKIKPPIIKSFNDHRIAMSFAVLTLAL--PLEIDNLECANISFPTFQLWLNLFKKRSLNGN |
2PQB Chain:A ((21-431)) | --------GDKSISHRSFMFGGLASGETRITGLLEGEDVINTGKAMQAMGARIRKEG-DTWIIDGVGNGGLLAPEAPLDFGNAATGCRLTMGLVGVYDFDSTFIGDASLTKRPMGRVLNPLREMGVQVK-SEDGDRLPVTLRGPKTPTPITYRVPMASAQVKSAVLLAGLNTPGITTVIEPIMTRDHTEKMLQGFGANLTVETDADGVRTIR-LEGRGKLTGQVIDVPGDPSSTAFPLVAALLVPGSDVTILNVLMNPTRTGLILTLQEMGADIE-VINPRLAGGEDVADLRVRSSTLKGVTVPEDRAPSMIDEYPILAVAAAFAEGATVMNGLEELRVKESDRLSAVANGLKLNGVDCDEGETSLVVRGRPDGKGLGNASGA----AVATHLDHRIAMSFLVMGLVSENPVTVDDATMIATSFPEFMDLMAGLGAKIELS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PQB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -253935 for 3649 contacts (-69.6/contact) +
2D Compatibility (PS) -41969 + (NN) -8554 + (LL) 836
1D Compatibility (HY) -24800 + (ID) 7100
Total energy: -335522.0 ( -91.95 by residue)
QMean score : 0.432
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