Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLA-HDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDF-DLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKT-----TFNEISMVLLEEIGKPVIF-----K-ADDDLIFETYKRVMRKGGNVI |
| 2GRU Chain:A ((2-366)) | -TTKQICFADRCFNFAFGEHVLESVESYIPRD--EFDQYIMISDSGVPDSIVHYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVAVGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGKNLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTEDDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGHAIELAEQG-GITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGALQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQTLLTPVRKTLIKEVIRE--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -235342 for 3088 contacts (-76.2/contact) +
2D Compatibility (PS) -37731 + (NN) -6855 + (LL) 892
1D Compatibility (HY) -22000 + (ID) 4700
Total energy: -305736.0 ( -99.01 by residue)
QMean score : 0.580
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