Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNTYCLLGNPNTGKTSLFNALTGSYEYVGNWSGVTVEKKVGTLRSKTGK--LIDLPGIYDLNPISR----DETVVTRFLLEEKFDCMLNIVDSSQIERNLNLTIQLLEFGAPVVMGLNMIDVAAGRGIHLNIQNLAKKLRIPILPVVARSGKGTDDILTTLSEKHVAPAIPLVLPYGEPAEKAIAEIQALTKDIIPTKQSRWLAVQFLSKNEVTEEFLTTSPMFEQLKDIRSDLEIALAGKLEN------HFHQVRVNYIHDICLTSVEYTRNSDIPLSDKLDKIFTHKFFGIPIFLGIMWLIFQITFTWVGAPLSDLLDGFIGGSLTDWVTSFLTTIGASGFITDLVADGIIAGVGGVLVFVPQILVIFFFISVLEDSGYMARIAVVMDRVMEIFGLNGKAFIPMIIGFGCNVPGIMAARSIEESKERTLTILVSPFMSCSARLPVYALFVGVFFEKYQALVVLSLYVIGILMALIVTKILSKTLLKKDNSVFVVELPPYRLPSLKTLWRSTWEKGKGFLRKAGTFIFAGSVIIWLLNYAGPSGLDVPMGESFLAIIGGMLAPLLVPLGFGTWQAGATLIPGFLAKEVVVSTMAIIYAVGESSMGSIVSTFYTPLSAYCFMLFILLYIPCLATVAAIRKETSSWKWTAFAVAYPLITAYVLVFLVYQIGSLFV |
2WIB Chain:A ((1-256)) | MQKLTVGLIGNPNSGKTTLFNQLTGARQRVGNWAGVTVERKEGIFATTDHQVTLVDLPGTYSLTTISSQTSLDEQIACHYILSGDADMLINVVDASNLERNLYLTLQLLELGIPCVVALNMLDIAEKQQVRIDIDALAARLGCPVIPLVSTRGRGIEALKIAL-DRHQANSDLELVHYPQPLLREADLLAQQMSAQIPPRQRRWLGLQMLEGDIYSRAY---------AGDAADKLDIALANLSDEIDDPALHIADARYQTIAAIC-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WIB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132485 for 1938 contacts (-68.4/contact) +
2D Compatibility (PS) -26213 + (NN) -12368 + (LL) 34320
1D Compatibility (HY) -21600 + (ID) 4750
Total energy: -163096.0 ( -84.16 by residue)
QMean score : 0.481
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