Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPQAAAEDARNAMVAGLLASGISVNGLQPSHNPQVAAQMFTTATRLDPKMCDAWLARLLAGDQSIEVLAGAWAAVRTFGW--ETRRLGVTDLQFRPEVSDGLF--LRLAITSVDSLACAYAAVLAEAKRYQEAAELLDATDPRHPFDAELVSYVRGVLYFRTKRWPDVLAQFPEATQWRHPELKAAGAAMATTALASLGVFEEAFRRAQEAIEGDRVPGAANIALYTQGMCLRHVGREEEAVELLRRVYSRDAKFTPAREALDNPNFRLILTDPETIEARTDPWDPDSAPTRAQTEAARHAEMAAKYLAEGDAELNAMLGMEQAKKEIKLIKSTTKVNLARAKMGLPVPVTSRHTLLLGPPGTGKTSVARAFTKQLCGLTVLRKPLVVETSRTKLLGRYMADAEKNTEEMLEGALGGAVFFDEMHTLHEKGYSQGDPYGNAIINTLLLYMENHRDELVVFGAGYAKAMEKMLEVNQGLRRRFSTVIEFFSYTPQELIALTQLMGRENEDVITEEESQVLLPSYTKFYMEQSYSEDGDLIRGIDLLGNAGFVRNVVEKARDHRSFRLDDEDLDAVLASDLTEFSEDQLRRFKELTREDLAEGLRAAVAEKKTK |
4F3V Chain:A ((28-275)) | ----------------------------------------LFTEITNYDESACDAWIGRIRCGDTDRVTLFRAWYSRRNFGQLSGSVQISMSTLNARIAIG-GLYGDITYPVTSPLAITMGFAACEAAQGNYADAMEALEAAPVAG--SEHLVAWMKAVVYGAAERWTDVIDQVKSAGKWPDKFLAGAAGVAHGVAAANLALFTEAERRLTEANDSPAGEACARAIAWYLAMARRSQGNESAAVALLEWLQTTHPEPKVA-AALKDPSYRLKTTTAEQIASRADPWDPGSVV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4F3V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132473 for 1999 contacts (-66.3/contact) +
2D Compatibility (PS) -26814 + (NN) -20789 + (LL) 26804
1D Compatibility (HY) -10800 + (ID) 3950
Total energy: -168022.0 ( -84.05 by residue)
QMean score : 0.595
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