Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKVIFSGIQPSGQLTLGNYIGALKQFGQFQDEYECFYCIVDEHAITVPQDRLKLREQTRSLAALYLAVGLDPEKSTLFIQSEVAAHAQAAWILQCNVYIGELERMTQFKDKSAGKAGVSAGLLTYPPLMAADILLYQTDLVPVGEDQKQHIELTRDLAERFNKKHADIFTMPEVFIPKQGARVMSLQDPTKKMSKSDANLKNAIFLLDPPATIRKKIKSAVTDSSGIIEYNKEEKPGVSNLLTIYSVITGETIASIEEKYVGKGYGDFKTDLAELVVSELEPIQERYYAYLKSEELDTILDAGAEKAARVANKTLKKMENGVGLGRKRRK |
1D2R Chain:A ((2-326)) | --KTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGAAAAAAGLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVLDEGAEKANRVASEMVRKMEQAMGLGR---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1D2R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -152089 for 2615 contacts (-58.2/contact) +
2D Compatibility (PS) -34877 + (NN) -13411 + (LL) 600
1D Compatibility (HY) -35600 + (ID) 11350
Total energy: -246727.0 ( -94.35 by residue)
QMean score : 0.581
|
|
|