Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAVMTPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKY-------------------------------------PQMLERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVSVEGPFKPDTYRY |
4LVC Chain:A ((12-479)) | --------GFTDYIVKDIALADFGRKEISLAETEMPGLMATREEYGPKQPLKGARIAGSLHMTIQTAVLIETLAALGADIRWVSCNIYSTQDHAAAAIAAAGIPVFAVKGETLTEY-WDYTAKLFDWHGGGTPNMILDDGGDATMLVHAGYRAEQGDTAFLDKPGSEEEEIFYALVKRLLKEKPKGWFAEIAKNIKGVSEETTTGVHRLYEMANKGTLLFPAINVNDSVTKSKFDNLYGCRESLVDGIRRGTDVMLSGKVAMVAGFGDVGKGSAASLRQAGCRVMVSEVDPICALQAAMEGYEVVT------------MEDAA--PRADIFVTATGNKDIITIEHMRAMKDRAIVCNIGHFDNEIQIASLR-NLKWTNIKPQVDEIEFP-----DKHR---IIMLSEGRLVNLGNAMGHPSFVMSASFTNQTLAQIELF----ANNKDSKYAKK--VYVLPKTLDEKVARLHLAKIGVKLTELRKDQADYIGVKQEGPYKSDHYRY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LVC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186984 for 3925 contacts (-47.6/contact) +
2D Compatibility (PS) -47160 + (NN) -18757 + (LL) 1484
1D Compatibility (HY) -40400 + (ID) 12900
Total energy: -304717.0 ( -77.63 by residue)
QMean score : 0.453
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