Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITKFPDQWQDKLTQRQFDDLTDIQNKLFQAITDGDNILGISPTGTGKTLAYLFPTLLKLQP-KKSQQLLILAPNSELAGQIFDVTKEWAEPLGLTAQLFLSGSSQKRQIERLKKGPE-ILIGTAGRVFELV-KLKKIKMMNINTIVLDEFDELLGDSQYHFVDNI-INRV-PRDQQMIYISATNKLDNSKLAD------NTITIDLSDQKLDTIKHYYITVDKRER--TDLLRKFSNIPDFRGLVFFNSLSDLGACEERLQFNRASAVSLASDINIKFRKVILEKFKNHDISLLLGTDLVARGIDIDNLEYVINFDIARDK------ETYTHRSGRTGRMGKEGCVITFVTHKEELKQLKKYATVAELVLHNQKLHLK |
3EWS Chain:A ((103-424)) | ------------------------------------NLIAQSQSGTGKTAAFVLAMLSQVEPANKYPQCLCLSPTYELALQTGKVIEQMGK---FYPELKLAYAVRGNKLERGQKISEQIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIA-TQGHQDQSIRIQRMLPRNCQMLLFSATFEDSVWKFAQKVVPDPNVIKLKREEETLDTIKQYYVLCSSRDEKFQALCNLYGAITIAQAMIFCHTRKTASWLAAELSKEGHQVALLSGEMMVEQRAAVIERFREGKEKVLVTTNVCARGIDVEQVSVVINFDLPVDKDGNPDNETYLHRIGR----GKRGLAVNMVDSKHSMNILNRIQEHFNKKIERLDTDDL |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3EWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -146038 for 2239 contacts (-65.2/contact) +
2D Compatibility (PS) -32451 + (NN) -15569 + (LL) 2316
1D Compatibility (HY) -24400 + (ID) 5050
Total energy: -221192.0 ( -98.79 by residue)
QMean score : 0.493
|
|
|