Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTWKIYILAIVSFLVGTSEYIISGILDQIAHTLGITLAAAGQLITIFSLVYALSTPVLMALTASMDRRKLMMYALGLFVFGNVLAFVL---PGYGWFIAARIIMAMGAGVVVVTALTIAAKIASEGKQGSAIATVVMGFTASLIIGVPLGRMI--AVALGWKSVFGAIALLGLIAMVVIFFTLPYTEGD--------KPVP------------------------------LLQQLALFKKRKVAMGLSITFFWLG-----GYSVAYTYLSPYLLNISGINGKLLSGVLLIFGIASLVGSKFGGYSTDKWGVPFTLVGGMTLHIVTLILLSLV----THS-Y---IGVLVILILWSFAAWSTGPTQQFHLATIEP-EMSGVLLSMNQSMMQFAMAVGAGIGGVFVENVSLASITWVGALGVMIAIIASLLIFNSQPKQALKDINQ |
4PYP Chain:A ((63-455)) | ---------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVL-PFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEK-AGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGP-YVFIIFTVLLVLFFIFTYFKVPET---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4PYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -337114 for 2673 contacts (-126.1/contact) +
2D Compatibility (PS) -34292 + (NN) -10097 + (LL) 4588
1D Compatibility (HY) -17200 + (ID) 2100
Total energy: -396215.0 ( -148.23 by residue)
QMean score : 0.313
|
|
|