Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQTVNVIGAGLAGSEAAYQLAERGI-KVNLIEMRP-------VKQTPAHHTDKFAELVCSNSLRGNALTNGVGVLKEEMRRLNSIIIEAADKARVPAGGALAVDRHDFSGYITETLKNHENITVINEEINAIPDGYTIIATGPLTTETLAQEIVDITGKDQLYFYDAAAPIIEKESIDMDKVYLKSRYDKGEAAYLNCPMTEDEFNRFYDAVLEAEVAPVNSFEKEKYFEGCMPFEVMAERGRKTLLFGPMKPVGLEDPKTGKRPYAVVQLRQDDAAGTLYNIVGFQTHLKWGAQKEVIKLIPGLENVDIVRYGVMHRNTFINSPDVLNEKYELISQPNIQFAGQMTGVEGYVESAASGLVAGINLAHKILGKGEVVFPRETMIGSMAYYISHAKNNKNFQPMNANFGLLPSLETRIKDKKERYEAQANRALDYLENFKKTL |
3C96 Chain:A ((4-403)) | -PIDILIAGAGIGGLSCALALHQAGIGKVTLLESSSEIRPLGVGINIQPAAVEALAELGLGPALAATAIPTHELRYID--QSGATVWSEPRGVEAGNAYPQYSIHRGELQMILLAAVRERLG-------------------QQAVRTGLGVERIEERDGRVLIGARDGHGK---PQALGADVLVG--------ADGIHSAVRAHLHPDQRPLSHGGITMWRGVTEFDRFLDGKTMIVANDEHWSRLVAY----PISARHAAEGKSLVNWVCMVPSAAVGQLDNEADWNRD---GRLEDVLPFFADWD------LGWFDIRDLLTRNQLILQYPMVDRDPLPHWGRGRITL--------LGDAAHLMYPMGANGASQAILDGIELAAALARNADVAAALREYEEARRPTANKIILANREREKEEWAAASRPERPRL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C96.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53111 for 3259 contacts (-16.3/contact) +
2D Compatibility (PS) -38113 + (NN) 13652 + (LL) 4896
1D Compatibility (HY) -4400 + (ID) 2550
Total energy: -79626.0 ( -24.43 by residue)
QMean score : 0.225
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