Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNTSSSTTLTMNDTIAAIATPLGKGAISIIKISGHNALNILKQLTQKQDFTPRYA-------YVCDIFSDGVLLDKALVIYFKAPYSFTGEDVCEIQCHGSPLLAQNILQACLNLGARLAKAGEFSKKAFLNHKMDLSEIEASVQLILCEDESVLNALARQLKGELKIFIEEARNNLLKLLASSEVLIDYSEEDIPSDFLKEVSFNLEKQIASFKDLLDFSNAQKQRNKGHALSIVGKPNAGKSSLLNAMLLEERALVSDIKGTTRDTIEEVIELKGHKVRLIDTAGIRESADEIERLGIEKSLKSLENCDIILGVFDLSKPLEKEDFNLMDTLN-RTKKPC---IVVLNKNDLAPKLELEILKSYLKIPYSILETNTLNSKACLKDLSQKISEFFPKLDTQNKLLLTSLAQTTALENAITELQNA---KSHLDTLELFSYHILSAIENLNLLTRPYETSQMLDSMFSEFCLGK |
3GEI Chain:A ((18-476)) | ---------------IAAIATPVGVGALAIVRISGAGVLDLADRVFRKVHGSGKLAEAAGYTAHFGRLYDGEEMVDEVIALVFRAPRSFTAEQMVEFTCHGGPVVVGRVLRLMLDNGCRLAEPGEFTRRAFLNGRIDLLQAEAIGEMIHARTESAYRTAVSQMKGDLSVRLGGLREQLIRSCALIELELDFSEEDVEFQSRDELTMQIETLRSEVNRLIDSYQHGRIVSEGVSTVIAGKPNAGKSTLLNTLL------------------EECFIHDKTMFRLTD--------------------MKMAEADLILYLLDLGT--ERLDDELTEIRELKAAHPAAKFLTVANKLDRAANADALIRAIADGTGTEVIGISALNGDG-IDTLKQHMGDLVKNL--EASVLVTSLRHYEALRNASDALQNALELIAHESETELIAFELRAALDYVGQITGKVVNEEVLNTIFDKFCIGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163642 for 3078 contacts (-53.2/contact) +
2D Compatibility (PS) -44858 + (NN) -32893 + (LL) 3544
1D Compatibility (HY) -24800 + (ID) 6450
Total energy: -269099.0 ( -87.43 by residue)
QMean score : 0.439
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