Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSG-VALILPEKA-YFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEAD--YVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
1WY2 Chain:B ((7-351)) | --KVKKIIEFMDKNSIDAVLIAKNPNVYYISGASPLAGGYILITGESATLYVPELEYEMAKEESNIPVEKFKKMDEFYKALEGI------KSLGIESSLPYGFIEELKKKANI--KEFKKVDDVIRDMRIIKSEKEIKIIEKACEIADKAVMAAIEEITEGKKEREVAAKVEYLMKMNGAEKPAFDTIIASGYRSALPHGVASDKRIERGDLVVIDLGALYQHYNSDITRTIVVGSPNEKQKEIYEIVLEAQKKAVESAKPGITAKELDSIARNIIAEYGYGEYFNHSLGHGVGLEVHEWPRVSQYDETVLREGMVITIEPGIYIPKIGGVRIEDTILITKNGSKRLTKTERELI-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1WY2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -161144 for 2927 contacts (-55.1/contact) +
2D Compatibility (PS) -36342 + (NN) -10256 + (LL) 952
1D Compatibility (HY) -29200 + (ID) 7600
Total energy: -243590.0 ( -83.22 by residue)
QMean score : 0.502
|
|
|