Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLIKLKKIVQIERKPFFITRQKLKLFRIVFNIIFVLMLFYYWSAIPLLLPRLIVVIFLLGSIFLTNKAFIAIKKRIGKTLFIRERLWYILESLKLYDSDGDRILNTAILTFDISNDNAVTISAPLFGDKWTKRLKNLEDNLVAGLGLPLLSKKE-LP--NCVIYQLGHIE----EIEQYVFNNNL-TRKFFQSISSPVIKLSNTQQFSLKSNTNIGVYGRTGTGKTIALQWFLFNALAKGCGTDDSTYLGIVDGKGADLYALGKLLQEELGEQIAIGSSPQMLAKLSREFVDIMNARFEVIKQNSSLNADAYD------------------------------LEMTPNFLFVDELASIRDSCGSSKQGKELWNEILQNLGLIARKGRQAGCHLLLSTQDPNAENIPVELRNQISAVLYLGNPGADRLKMAFSMCELENVPTVSDRKGEALFHADGLNSIEPVLTIVPFVDVKTKQDFLQIVRNILPNY |
2IUT Chain:A ((93-464)) | ---------------------------------------------------------------------------------AMSRLLEIKLKEFGVEVSVDSVHPGPVITRFEIQPA---------AGVKVSR-ISNLAKDLARSLAVISVRVVEVIPGKTTVGIEIPNEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKMPHLLVAGTTGSGKSVGVNAMLLSILFKS--TPSEARLIMIDPKMLELSIYEGIPHLL----CPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVG---------KKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLL----GHGDMLYLPPGT--GLPIRVHGAFVSDDEVHRVVEAWKLRGAPD |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IUT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137486 for 2858 contacts (-48.1/contact) +
2D Compatibility (PS) -36212 + (NN) -15501 + (LL) 10744
1D Compatibility (HY) -11600 + (ID) 3150
Total energy: -193205.0 ( -67.60 by residue)
QMean score : 0.431
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