Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY |
4BUO Chain:B ((3-322)) | -----------------------------------------------SGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTLFTLAR------LQSTVDYYLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLKVVIQVNTFMSFLFPMLVASILNTVIANKLTVMVHQAA--------------FNMTIEPGRVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALVYVSAAINPILYNLVSANFRQVFLSTLAC------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BUO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237907 for 2385 contacts (-99.8/contact) +
2D Compatibility (PS) -31618 + (NN) -7114 + (LL) 4724
1D Compatibility (HY) -58000 + (ID) 13650
Total energy: -343565.0 ( -144.05 by residue)
QMean score : 0.437
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