Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDTSPDLPAMSPLAVYRQAVEQRGFAPDEAQRRAAEALERCFQALHEAHRHGAIQGVYLWGPVGRGKTWLMDHFYQCLRVP--ARR---QHFHHFMQWVHQRQFELTGTADPLRALARELARDVRVLCFDELFVSD--IGDAILLGSLLRIMFEEGVVLVATSNQPPEQLYADGFNRERFLPAIEAIQRHMAVVAVDGGQDHRLHPGRAEQRYWVVEAGQASGFAELFARLSAGEAASTQPIELGHRPLAVHRHSESVLWCSYAQLCEAPLSALDFIGLCDRYRAILMDDLPCLSASQREGRIARGTEDGAQLVEAGDRELPQLSVHDDGVRRFIALVDECYDRKVPLYLEARVPLEALYTEGYLAFAFRRTLSRLREMQLARFGSDSAG |
2Z4S Chain:A ((99-241)) | -----------------NPDYTFENFVVGPGNSFAYHAALEVAKH------PGRYNPLFIYGGVGLGKTHLLQSIGNYVVQNEPDLRVMYITSEKFLNDLVDSMK-----EGKLNEFREKYRKKVDILLIDDVQFLIGKTGVQTELFHTFNELHDSGKQIVICSDREPQKL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2Z4S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -100442 for 961 contacts (-104.5/contact) +
2D Compatibility (PS) -14964 + (NN) -11028 + (LL) 17624
1D Compatibility (HY) -6400 + (ID) 1200
Total energy: -116410.0 ( -121.13 by residue)
QMean score : 0.418
|
|
|