Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRYPLGEALLALYRWRGPLINAGVGGHGYTYLLGAEANRFVFANADAFSWSQTFESLVPVDGPTALIVSDGADHRRRRSVVAPGLRHHHVQRYVATMVSNIDTVIDGWQPGQRLDIYQELRSAVRRSTAESLFGQRLAVHSDFLGEQLQPLLDLTRRPPQVMRLQQRVNSPGWRRAMAARKRIDDLIDAQIADARTAPRPDDHMLTTLISGCSEEGTTLSDNEIRDSIVSLITAGYETTSGALAWAIYALLTVPGTWESAASEVARVLGG-RVPAADDLSALTYLNGVVHETLRLYSPGVISARRVLRDLWFDGHRIRAGRLLIFSAYVTHRLPEIWPEPTEFRPLRWDPNAADYRKPAP-HEFIPFSGGLHRCIGAVMATTEMTVILARLVARAMLQL-PAQRTHRIRAANFAALRPWPGLTVEIRKSAPAQ |
| 3MDR Chain:A ((227-433)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ILTQILK--AEEGAQ-DDEGLLDNFVTFFIAGHETSANHLAFTVMELSRQPEIVARLQAEVDEVIGSKRYLDFEDLGRLQYLSQVLKESLRLYPPAWGTFRLLEEETLIDGVRVPGNTPLLFSTYVMGRMDTYFEDPLTFNPDRFGPGA-----PKPRFTYFPFSLGHRSCIGQQFAQMEVKVVMAKLLQRLEFRLVPGQRFGLQEQATLKPLDP--------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3MDR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -92099 for 1342 contacts (-68.6/contact) +
2D Compatibility (PS) -21264 + (NN) -8123 + (LL) 14780
1D Compatibility (HY) -18800 + (ID) 3550
Total energy: -129056.0 ( -96.17 by residue)
QMean score : 0.343
|
|
|