Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRT-PTNYYLFSLAVSDLLVLLVGLPLELYE-MWHNYPFLLGVGGCYFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVS--QWTDGLHLAFQHVHVISGIFFYLGSAANPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS |
4BWB Chain:B ((22-323)) | --------------------------------------------------------------VTAIYLALFVVGTVGNGVTLFTLARKK----SRVDYYLGSLALSDLLILLFALPVDLYNFIWVHHPWAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHP--AKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNL--SGDGTHPGGLVCTPIVDTATLRVVIQLNTFMSFLFPMLVASILNTVAARRLT----VMVHQAA--------PG---RVQALRRG----VLVLRAVVIAFVVCWLPYHVRRLMFVYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLVSANFRQVFLSTL------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -268309 for 2078 contacts (-129.1/contact) +
2D Compatibility (PS) -28548 + (NN) -8290 + (LL) 6392
1D Compatibility (HY) -30400 + (ID) 5150
Total energy: -334305.0 ( -160.88 by residue)
QMean score : 0.246
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