Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIADKTVTRAILERHGFTFKKSFGQNFLTDTNILQKIVDTAEIDKGVNVIEIGPGIGALTEFLAENAAEVMAFEIDDRLIPILADTLARFDNVQVVNQDILKADLQTQIQAFKNPDLPIKVVANLPYYITTPILMHLIEGKIPFAEFVVMMQREVADRISAMPNTKAYGSLSIAVQYYMTAKVSFIVPRTVFVPAPNVDSAILKMVRRDQPVVSVQDEDFFFRVSKVAFVHRRKTLWNNLTSHFGKSEDTKAKLEKALEIA-----KIK--PSIRGEALSIPDFASLADALKEVGI |
3GRU Chain:A ((30-287)) | -------------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLNK--------LDFNKVVANLPYQISSPITFKLIKRG--FDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKYH-IENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEFYRFLQ |
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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) -182163 for 2037 contacts (-89.4/contact) +
2D Compatibility (PS) -27146 + (NN) -9961 + (LL) 2616
1D Compatibility (HY) -15200 + (ID) 4600
Total energy: -236454.0 ( -116.08 by residue)
QMean score : 0.447
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