Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIAALDQGTTSTRVLVASQDGSADIQLALRHQQHHPQSGWVEHDPLELLANLQRCLEA-S-------GRVDAIGLANQGESCMAWDARSGEPLSPLIVWQDNRTTPHIERLRASGAEALVLERSGLPLDAYFSASKLGWIVEHLPAARRALKAGRLRLGTSDAWFLDRLCGT--FATDVTTASRTALMNLAEGRWDPDLCALFGVPIECLPEIRDTVGHFGVIGN-------TPLTASVVDQQASLYGHGCRQPGDAKITFGTGAFALTLSGERIIRSPETGLLATIAWQIDGKPVYAMDGGVYDASAAVEWAG-RLGLFS---DFSELAGFDRPPAIERGLAFVPALSGLACPHWDRSAGAMWLGMDAGTRREDLCQALLEGVVLRSAEVIQAMDGYLKV-TDRLSIDGGLARSPYFAQFLADSLQRRIVTQRFDELTAFGCAALAARGLGHE--LAEPR-N--TRTEFQPRVDAGTARRWQVRFSEAVARTRGWR |
3EZW Chain:A ((4-496)) | KYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRSSEVYGQTNIDGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSE-NGLLTTIACGPTGEVNYALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATK--V-QNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAWE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EZW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -268385 for 4437 contacts (-60.5/contact) +
2D Compatibility (PS) -50176 + (NN) -27595 + (LL) -12
1D Compatibility (HY) -28400 + (ID) 7950
Total energy: -382518.0 ( -86.21 by residue)
QMean score : 0.513
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