Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLD-KDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESH-ESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS |
3VAD Chain:A ((90-404)) | ------------------------------------------------SGRYLQQELPVRIAHRIKGFRSLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLL---DDHKDVVTLLAEGLRESRKHIEDEKL----VRYFLDKTLTSRLGFRMLATHHLALHEDK-----PDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAAR------FPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTA------------HGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTD--VYLRLRHID----------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VAD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -174231 for 2152 contacts (-81.0/contact) +
2D Compatibility (PS) -29898 + (NN) -6786 + (LL) 5676
1D Compatibility (HY) -21600 + (ID) 5200
Total energy: -232039.0 ( -107.82 by residue)
QMean score : 0.486
|
|
|