Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFLSIIILVTLIIGNVMFFNFISNTLSRDFLFKEQTVVQFKYKEDYQVSDFNNSIKTFSETKNINIAQYTFLGERDLNIYGSNCQFAPNINLKKGDYPNKNQFLANEESVDKKQSGVIYHPSKYWSLKVYDFGQIKNVGLSDTFYVSGLDNQNTYQAFLKEFEQYGEVTTKSVDVSWWKYINIPLLMTLLLCFAILFVFTYYYLRYSKQRLLVNRIWGNSELVTLMSLFNKTIIFTLFSVLAILITFVSIVLANGLATYLVEIVWKLLLFNVLLFIFILFPMYFFGLLRIKKIDQAKSDQRMQSSRQHLAINLVIKFVLLCLFIGTFIASYQSLQTLNTRLANIDVWEATKDIFKVKVGVLPEGIQDDLKADKELNDNLSAFYEE-GTSKKEMFLMYSNNFQRSETNTFFYETYLKKGSEINSPEGNSVEIDFNYLKLNPIKSIKGQNVGKEAIISDKVLNIIVPNSKKGLEKDIKNTFLDYFYFQKVEVANIYNEALDLPAVALSKEDLRVNIIYAENNQDYFSYDSNTGDFRTGNITDPIAIVYTGNIDSSSIGAHVTSSVYFVDKSNGDAFNAILPLISNSNAREITHVRSVYQEVSSEITTLKWQIYQQLIGTIILALCLCSFMVLLVLSYYRENLYKQLIYHVFGYSFWKSSKWFIISNLFVSVFSGILIFILSKEPVALYFSVVILIIELCAIYFIKEKAIYKDFKAILKGEKYD |
2CPG Chain:A ((1-43)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKKRLTITLSESVLENLEKMAREMGLSKSAMISVALENYKKGQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2CPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -3892 for 189 contacts (-20.6/contact) +
2D Compatibility (PS) -4469 + (NN) -717 + (LL) 54688
1D Compatibility (HY) -1600 + (ID) 400
Total energy: 43610.0 ( 230.74 by residue)
QMean score : 0.441
|
|
|