Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRIADKTVTRAILERHGFTFKKSFGQNFLTDTNILQKIVDTAEIDKGVNVIEIGPGIGALTEFLAENAAEVMAFEIDDRLIPILADTLARFDNVQVVNQDILKADLQTQIQAFKNPDLPIKVVANLPYYITTPILMHLIEGKIPFAEFVVMMQREVADRISAMPNTKAYGSLSIAVQYYMTAKVSFIVPRTVFVPAPNVDSAILKMVRRDQPVVSVQDEDFFFRVSKVAFVHRRKTLWNNLTSHFGKSEDTKAKLEKALEIAKIKPSIRGEALSIPDFASLADALKEVGI |
| 3GRU Chain:A ((30-253)) | -------------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLNKL-------DFN-KVVANLPYQISSPITFKLIKRGFDLA--VLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVK-IKPNKGKYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170602 for 1746 contacts (-97.7/contact) +
2D Compatibility (PS) -24205 + (NN) -8519 + (LL) 3108
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -220568.0 ( -126.33 by residue)
QMean score : 0.461
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