Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKENKKVEKKELSRILIANRGEIALRAIQTIQEMGKESIAIYSIADKDAHYLNTANAKVCIGGAKSSESYLNIPAIISAAELFEADAIFPGYGFLSENQNFVEICSHHSLEFIGPSAKVMALMSDKAKAKIVMKEAGMPVIEGSDGLL-KSYQEAEEIADKIGYPVIIKAAAGGGGRGMRVVGDKSKLKNLYLAAETEALSAFGDGSVYLEKFINKPKHIEVQILADKHGNVIHVGERDCSVQRRQQKLIEETPAVVLEESVRKRLLETAIKAAKYIGYVGAGTFEFLLDSNMKDFYFMEMNTRLQVEHTISEMVSGLNLIEWMIKIAQGEELP-KQESFSLKGHAIECRITAEDPKKFYPSPGKITEWIAPGGVNVRLDSHAHANYVVPTNYDSMIGKLIVWGENRERAIAKMKRALKEFKVEGIKTTIPFHIEMLENADFRQAKIHTKYLEENF |
2J9G Chain:B ((2-444)) | ------------LDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADETVCIGPAPSVKSYLNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVERSGFIFIGPKAETIRLMGDKVSAIAAMKKAGVPCVPGSDGPLGDDMDKNRAIAKRIGYPVIIKASGGGGGR--RVVRGDAELAQSISMTRAEAKA---NDMVYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVVEEAPAPGITPELRRYIGERCAKACVDIGYRGAGTFEFLFENG--EFYFIEMNTRIQVEHPVTEMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTFLPSPGKITRFHAPGGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDVAIARMKNALQELIIDGIKTNVDLQIRIMNDENFQHGGTNIHYLEKKL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2J9G.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -241963 for 3856 contacts (-62.7/contact) +
2D Compatibility (PS) -47112 + (NN) -12485 + (LL) 1284
1D Compatibility (HY) -39600 + (ID) 11200
Total energy: -351076.0 ( -91.05 by residue)
QMean score : 0.585
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