Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDASTSFAILPSNVKQKTAFERKVNQVKAASWTNNCLTGTLDIGQFSCYFVNEKIARVTVNPFGEVDLTPSIAAIHDNEKQAAKFTETNDCYELHFADKEVIVCKNPFQIIMKQAGKRIFQTEGLAINRDKEHQISIQSEPG--TAIFGLGEKTGALNKAG--SIISMWNTDVYSPHNKDTVELYQSIPFMI----ADTAKTTYGLFYDNSHRTEFDFQSFEEMYTVLAEGGQANLYIIFGEDVKEVVANYTDLTGKTPLPPKWSLGYHQSRYSYTSEEEVERIANTFKEKEIPLDCVFMDIHYMDDFRVFTFNPDTFP--NGPELIARLREQNIDVVPIVDPGIKKDVDYSVYQEGIKNNYFCTKLEGSIYYGDVWPGVSAFPDFLSTTVQHWW-GSLHKFYTDLGIRGIWNDMNEPSVFNES-----KTMDLDV--VHNLDGK----------------NVTHKEAHNLYGLYMSKATFEGLKRLVPNERPFSLTRAGYAGVQRYSAVWTGDNRSHWEHLEMSLPMIMNLGLSGVAFTGADVGGFSSDCTKEMLIRWTQAGAFLPYFRNHCVQDSIYQEPWAFGADAEKIVKQYIELRYAFLPYIYTEFQKTAESGLPLVRPLYMEFKDERDLIQVNDQFMLGENILVAPIVREGQAKRLVRLPKGLW---FNYWTKEQFVGGDYIIADAPIDTMPIYIKAGTILPV---GSSVQNTKETQELTLEVYLDSETATGYVYNDDGKSYQYESGAVSKTTLTATFKNGEVLINATHQGEANLQQKVTTIQVFGEKIDKITRAGI |
3WEN Chain:A ((188-824)) | ------------------------------------------------------------------------------------------------------------------------------IYKDQYLQLS-SSLPAQQAHLYGLGEHTKPTFQLAHNQILTLWNADIAS-FNRD-LNLYGSHPFYMDVRSSPMVGSTHGVFLLNSNGMDVEYTGDRITYKVI--GGIIDLYIFAGRTPEMVLDQYTKLIGRPAPMPYWAFGFHQCRWGYRDVNEIETVVDKYAEARIPLEVMWTDIDYMDAFKDFTLDPVHFPLDKMQQFVTKLHRNGQRYVPILDPGINTNKSYGTFIRGMQSNVFI-KRDGNPYLGSVWPGPVYYPDFLDPAARSFWVDEIKRFRDILPIDGIWIDMNEASNFITSAPTPGSTLDNPPYKINNSGGRVPINSKTIPATAMHYGNVTEYNAHNLYGFLESQATREALVR-TSNERPFLLSRSTFAGSGKYTAHWTGDNAARWDDLQYSIPTMLNFGLFGMPMIGADICGFAESTTEELCRRWIQLGAFYPFSRDHSARDTTHQELYLWESVAAS-ARTVLGLRYQLLPYYYTLMYDANLRGIPIARPLFFTFPDDVATYGISSQFLIGRGIMVSPVLQPGAVSVNAYFPRGNWFSLFNYTSSVSVSAGTYVSLSAPPDHINVHIHEGNIVAMQGEAMTTQAARSTPFHLLVVMSDHVASTGELFLDNG---------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WEN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189611 for 5068 contacts (-37.4/contact) +
2D Compatibility (PS) -60771 + (NN) -17005 + (LL) 14160
1D Compatibility (HY) -43600 + (ID) 10550
Total energy: -307377.0 ( -60.65 by residue)
QMean score : 0.451
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