Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIADKTVTRAILERHGFTFKKSFGQNFLTDTNILQKIVDTAEIDKGVNVIEIGPGIGALTEFLAENAAEVMAFEIDDRLIPILADTLARFDNVQVVNQDILKADLQTQIQAFKNPDLPIKVVANLPYYITTPILMHLIEGKIPFAEFVVMMQREVADRISAMPNTKAYGSLSIAVQYYMTAKVSFIVPRTVFVPAPNVDSAILKMVRRDQPVVSVQDEDFFFRVSKVAFVHRRKTLWNNLTSHFGKSEDTKAKLEKALEIAKIKPSIRGEALSIPDFASLADALKEVGI
3GRY Chain:A ((30-253))
-------------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLNKL-------DFN-KVVANLPYQISSPITFKLIKRGFDLA--VLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVK-IKPNKGKYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSN
General information:
TITO was launched using:
RESULT:
Template:
3GRY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170047 for 1720 contacts (-98.9/contact) +
2D Compatibility (PS) -24298 + (NN) -10572 + (LL) 3108
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -222159.0 ( -129.16 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_3GRY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRY-query.scw
PDB file :
Tito_Scwrl_3GRY.pdb
: