Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKDIATPGRTTEILKKYGFLFKKSLGQNFLIDSNILTRITDTAEITKETNVIEIGPGIGALTEQLAKTANEVVAFEIDQRLLPILDDTLSAYNNVKVVHGDVLKADVEEVIAEQFAKPELPLKIVANLPYYVTTPIILKLLHDNIPADSMTFMLQKEVADRISAVPSTKSYGSLTIAIQFYMEAELAFIVPKTVFMPQPNVDSAVIHLKRRKEPLAEVNDEEFFFEVTRASFAQRRKTLWNNLASKFPALKPRKDELVEGLNAI-----GID--LIRRGETLDIPEFAKLSNFLGDFLKEK |
3GRU Chain:A ((30-291)) | ---------------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLNK---------LDFNKVVANLPYQISSPITFKLIKRG--FDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKYH-IENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEFYRFLQN- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -174726 for 2071 contacts (-84.4/contact) +
2D Compatibility (PS) -26892 + (NN) -4130 + (LL) 2732
1D Compatibility (HY) -18400 + (ID) 4650
Total energy: -226066.0 ( -109.16 by residue)
QMean score : 0.518
|
|
|