Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRKNSDLKDSTTASHAAAWRQQLHSRLKEGVLIALGALCLYLWMALLTYDSADPSWSHSSQVDQVQNAAGRLGAVSADILFMTLGYFAYLFPLLLGIKTWQVFRRRNLPWEWNTWLFSWRLVGLIFLILAGSALAYIHFHASGHMPASASAGGAIGQSLGRVAVDALNVQGSTLVFFALFLFGLTVFADLSWFKVMDVTGKITLDFFELIQNAFNRWMGARAERKQLVAQLREVDERVAEVVAPSVPDRREQSKAKERLLEREEALAKHMSEREKRPPPKIDPPPSPKAPEPSKRVLKEKQAPLFVDTAVEGTLPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGPVITRFEIQPAAGVKVSRISNLAKDLARSLAVISVRVVEVIPGKTTVGIEIPNEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKMPHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELSIYEGIPHLLCPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLLGHGDMLYLPPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAPDYIEDILAGVDEGGGGGGSFDGGDGSGEGSEDDPLYDEAVRFVTESRRASISAVQRKLKIGYNRAARMIEAMEMAGVVTPMNTNGSREVIAPAPVRD |
2IUU Chain:F ((70-477)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGPVITRFEIQPAAGVKVSRISNLAKDLARSLAVISVRVVEVIPGKTTVGIEIPNEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKMPHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELSIYEGIPHLLCPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLLGHGDMLYLPPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAPDYIEDILA----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -287476 for 3457 contacts (-83.2/contact) +
2D Compatibility (PS) -44892 + (NN) -26159 + (LL) 27496
1D Compatibility (HY) -58400 + (ID) 20400
Total energy: -409831.0 ( -118.55 by residue)
QMean score : 0.665
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