Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIAALDQGTTSTRVLVASQDGSADIQLALRHQQHHPQSGWVEHDPLELLAN--------LQRCLEASGRVDAIGLANQGESCMAWDARSGEPLSPLIVWQDNRTTPHIERLRASGAEALVLERSGLPLDAYFSASKLGWIVEHLPAARRALKAGRLRLGTSDAWFLDRLCG--TFATDVTTASRTALMNLAEGRWDPDLCALFGVPIECLPEIRDTVGHFG-----VIGN-TPLTASVVDQQASLYGHGCRQPGDAKITFGTGAFALTLSGERIIRSPETGLLATIAWQIDGKPVYAMDGGVYDASAAVEWAGRLGLFSDFSELAGFDRPPAIERGLAFVPALSGLACPHWDRSAGAMWLGMDAGTRREDLCQALLEGVVLRSAEVIQAMDGYLKVTDR-LSIDGGLARSPYFAQFLADSLQRRIVTQRFDELTAFGCAALAARGLG----HELAEPRNTRTEFQPRVDAGTARRWQVRFSEAVARTRGWR |
2DPN Chain:A ((4-491)) | --LLALDQGTTSSRAILFTLEGRPVAVAKREFRQLYPKPGWVEHDPLEIWETTLWAAREVLRRAGAEAGEVLALGITNQRETTLLWDRKTGKPLHNAIVWQDRRTTPLCEALRAKGLEPLFRERTGLLFDPYFSGTKLVWLLENVPGLKARAEGGGVAFGTVDTWLIWNLTGGKVHATDPTNASRTLLFNLHTLAWDPELLEALGIPAALLPEVRPSDGDFGETLPELLGAPVPIRGVLGDQQAALFGQAALGGGEGKCTYGTGAFLLLNTGKRPVLS-EKGLLATVAWSLGGRATYALEGSLFVAGAAVGWLKEVGLIRESAEVEALAASVEDTGDVYFVPAFTGLGAPYWDPYARGTLLGLTRGTSRAHLARAALEGVAFQVRDVVLAMEEEAGVRLKVLKADGGMAQNRLFLKIQADLLGVPVAVPEVTETTALGAALMAGVGAGALSPEDVAGRFREAERFLPTMPEGRREALYRRWREAVERAKGWA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DPN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237909 for 4350 contacts (-54.7/contact) +
2D Compatibility (PS) -50130 + (NN) -26473 + (LL) 168
1D Compatibility (HY) -29600 + (ID) 9400
Total energy: -353344.0 ( -81.23 by residue)
QMean score : 0.460
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