Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTKFPDGFMWGGATAANQFEGGYNLGGKGLACADLFTGGTHTEPRRITAQLEESTFYPSHEAVDFYHHYKEDIKLMAEAGFKVFRMSINWTRIFPTGKEAEPNEEGLQFYEDVFNELKKHQIEPLVTIAHFDIPLALTNEVNGWASRDLIDYYLHFCEVIFKRYKHLVKHWLTFNE----INTATMEIGNYLSLGIRHAEGDFL--HQKDDPKVRYQALHHQFVASAKAVKLGHSINPDFMIGCMIAYMPRYPR-TCEPSDVLLAKQTEAMHSHFCGDVHVKGYYPFYAKTFFKDNGIE--------LEFDPEDEQILREGTVDFYTFSYYLTLCASN-----DPA-YKNSGKSVIGGAENPYLKTNDWGMQTDPVGLRIALNDLYTRY-NIPLMVVENGLGAFDKLEDDGTINDPYRIDYFKEHILQMHKAI-QDGVDLIGFTIWGCIDLVSASTGEMAKRYGIIYVDKYDDGTGDYSRKKKASYYWYKDVISSNGEIGLEE |
3VIH Chain:A ((12-447)) | -----FPDEFKLGAATASYQIEGAWDENGKGPNIWDTLT---HEHPDYVVDGATGDI------ADDSYHLYKEDVKILKELGAQVYRFSISWARVLPEGHDNIVNQDGIDYYNNLINELLANGIEPMVTMYHWDLPQAL-QDLGGWPNLVLAKYSENYARVLFKNFGDRVKLWLTFNEPLTFMDGYASEIGMAPSINTP-GIGDYLAAHTVIHAHARIYHLYDQEFRAEQGGKVGISLNINW---CEPATNSAEDRASCEN----YQQFNLGLYAHPI--FTEEGDYPAVLKDRVSRNSADEGYTDSRLPQFTAEEVEYIR-GTHDFLGINFYTALLGKSGVEGYEPSRYRDSGVILTQDAAWP-ISASSW-LKVVPWGFRKELNWIKNEYNNPPVFITENGFS------DYGGLNDTGRVHYYTEHLKEMLKAIHEDGVNVIGYTAWSLMDNFEWLRG-YSEKFGIYAVD---------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VIH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -181751 for 3614 contacts (-50.3/contact) +
2D Compatibility (PS) -42754 + (NN) -2504 + (LL) 2288
1D Compatibility (HY) -26000 + (ID) 7300
Total energy: -258021.0 ( -71.39 by residue)
QMean score : 0.426
|
|
|