Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTATLTKTLGSLDDFRGTLCVPGDPDYPRVRAIWNGQVAREPALIATCHDACDVRTVLRRAVDAGMVTAVRGGGHNVAGTALCDGGVVIDLSAMRAVSLDPATGRVRVQGGATLADLDHATVPFARVAPAGIVTTTGVGGLTLGGGVGWTTRRFGLSCDNLVAVRLVTAAGDYLSVDDERDPELMWGLRGGGGNFGIVTEFEFATHPFGPVAVAGFVVYRLDDGPAVLRGYRQFAAAAPEEVTTIVVLRHAPPAPWIPVDQRGKPVVMIGAVHTGSIQTGIEALRPVKSLARPVADTVWPTPFLAHQAVLDASNPAGHRYYWKSDHLAELNDEAIDLLVEQTAQLSSPDSLIGIFQLGGAAAR-GGERSCFPSRHARFMVNYATHWTEAREDDLHRQWTRDAIEALAPYGLGTAYVNFTADDAPMHVETLYSTTEFSRLVTLKNRLDPDNVFRNNHNIRPSA |
3W8W Chain:A ((22-465)) | --------------FRGELIWPSDADYDEARRIWNGTIDRRPALIARCTSTPDVVAAVSFARKSGLLVAVRGGGHSMAGHSVCDGGIVIDLSLMNSIKVSRRLRRARAQGGCLLGAFDTATQAHMLATPAGVVSHTGLGGLVLGGGFGWLSRKYGLSIDNLTSVEIVTADGGVLTASDTENPDLFWAVRGGGGNFGVVTAFEFDLHRVGPVRFAS-TYYSLDEGPQVIRAWRDHMATAPDELTWALYLRLAPPLPELPADMHGKPVICAMSCWIGDPHEGERQLESILHAGKPHGLTKATLPYRALQAYSFPGAVVPDRIYTKSGYLNELSDEATDTVLEHAADIASPFTQLELLYLGGAVARVPDDATAYPNRQSPFVTNLAAAWMDPTEDARHTAWAREGYRALAGH-LSGGYVNFMNPGEADRTREAYGAAKFERLQGVKAKYDPTNLFRLNQNIPP-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3W8W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -264183 for 4020 contacts (-65.7/contact) +
2D Compatibility (PS) -48056 + (NN) -26084 + (LL) 876
1D Compatibility (HY) -27600 + (ID) 9500
Total energy: -374547.0 ( -93.17 by residue)
QMean score : 0.595
|
|
|