Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKENKKVEKKELSRILIANRGEIALRAIQTIQEMGKESIAIYSIADKDAHYLNTANAKVCIGGAKSSESYLNIPAIISAAELFEADAIFPGYGFLSENQNFVEICSHHSLEFIGPSAKVMALMSDKAKAKIVMKEAGMPVIEGSDGLLKSYQEAEEIADKIGYPVIIKAAAGGGGRGMRVVGDKSKLKNLYLAAETEALSAFGDGSVYLEKFINKPKHIEVQILADKHGNVIHVGERDCSVQRRQQKLIEETPAVVLEESVRKRLLETAIKAAKYIGYVGAGTFEFLLDSNMKDFYFMEMNTRLQVEHTISEMVSGLNLIEWMIKIAQGEELPKQESFSLKGHAIECRITAEDPKKFYPSPGKITEWIAPGGVNVRLDSHAHANYVVPTNYDSMIGKLIVWGENRERAIAKMKRALKEFKVEGIKTTIPFHIEMLENADFRQAKIHTKYLEENF |
3OUU Chain:A ((5-443)) | -----------EIKSILIANRGEIALRALRTIKEMGKKAICVYSEADKDALYLKYADASICIGKARSSESYLNIPAIIAAAEIAEADAIFPGYGFLSENQNFVEICAKHNIKFIGPSVEAMNLMSDKSKAKQVMQRAGVPVIPGSDGALAGAEAAKKLAKEIGYPVILKAAAGGGGRGMRVVENEKDLEKAYWSAESEAMTAFGDGTMYMEKYIQNPRHIEVQVIGDSFGNVIHVGERDCSMQRRHQKLIEESPAILLDEKTRTRLHETAIKAAKAIGYEGAGTFEFLVDKNL-DFYFIEMNTRLQVEHCVSEMVSGIDIIEQMIKVAEGYALPSQESIKLNGHSIECRITAEDSKTFLPSPGKITKYIPPAGRNVRMESHCYQDYSVPAYYDSMIGKLVVWAEDRNKAIAKMKVALDELLISGIKTTKDFHLSMMENPDFINNNYDTNYLARH- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3OUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -243033 for 3881 contacts (-62.6/contact) +
2D Compatibility (PS) -47284 + (NN) -15912 + (LL) 936
1D Compatibility (HY) -49200 + (ID) 14650
Total energy: -369143.0 ( -95.12 by residue)
QMean score : 0.552
|
|
|