Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKENKKVEKKELSRILIANRGEIALRAIQTIQEMGKESIAIYSIADKDAHYLNTANAKVCIGGAKSSESYLNIPAIISAAELFEADAIFPGYGFLSENQNFVEICSHHSLEFIGPSAKVMALMSDKAKAKIVMKEAGMPVIEGSDGLL-KSYQEAEEIADKIGYPVIIKAAAGGGGRGMRVVGDKSKLKNLYLAAETEALSAFGDGSVYLEKFINKPKHIEVQILADKHGNVIHVGERDCSVQRRQQKLIEETPAVVLEESVRKRLLETAIKAAKYIGYVGAGTFEFLLDSNMKDFYFMEMNTRLQVEHTISEMVSGLNLIEWMIKIAQGEELP-KQESFSLKGHAIECRITAEDPKKFYPSPGKITEWIAPGGVNVRLDSHAHANYVVPTNYDSMIGKLIVWGENRERAIAKMKRALKEFKVEGIKTTIPFHIEMLENADFRQAKIHTKYLEENF |
3RUP Chain:A ((5-447)) | ------------LDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADETVCIGPAPSVKSYLNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVERSGFIFIGPKAETIRLMGDKVSAIAAMKKAGVPCVPGSDGPLGDDMDKNRAIAKRIGYPVIIKASGGGGGRGMRVVRGDAELAQSISMTRAEAKAAFSNDMVYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVVEEAPAPGITPELRRYIGERCAKACVDIGYRGAGTFEFLFENG--EFYFIEMNTRIQVEHPVTEMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTFLPSPGKITRFHAPGGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDVAIARMKNALQELIIDGIKTNVDLQIRIMNDENFQHGGTNIHYLEKKL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -231885 for 3980 contacts (-58.3/contact) +
2D Compatibility (PS) -47858 + (NN) -15061 + (LL) 1144
1D Compatibility (HY) -40400 + (ID) 11400
Total energy: -345460.0 ( -86.80 by residue)
QMean score : 0.579
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