Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQEKVQDLVNQMTLDEKIAQCLQLSPFLFKGTNKNAELTGPLLQEMKLTDA-HTENAGSVLGSSSALDMIGIQEAYLKTNRLGIPLVFMADVIHGYKTVFPIPLALGCSFDRETVRVMAEVSALEATADGHHVTFSPMLDLVRDPRWGRVMESTGEDPFLNSELGKAMVDGYQGDASKLDGNFDRMAACVKHFAAYGAAEAGLEYNTVNMSTRELYQNYLPAYHAAIQAGAKLVMTAFNVVDGVPATMNKWLNRDVLRGEMD-FDGVLISDWGAVAEVINHGTARNPKEAAQFSMEAGVDLEMMTTCYIHELKGLIEEGKLSESLLDEAVLRMLHLKNDLGLFEDPYRGLKNNDRTKDILTDDSRGKARAAGVESAVLLENKNRLLPLAKETKIALVGPLAS-SPDILGGWNVYGEEKDGINVETGLREVF---ETVEVIST-EYTE--------------------FSD-EDKVAVKAAVQNMDVVVLALGEKNEWGGEAGSLATIRLPEAQYELAKFVQTLEKPVVITLFNGRPLEVKELAESSDALLELWFPGTEAGRVTADLLSGASNPSGKLSMSFPQTTGQIPVYYNHLRTGRPQTPENKGE---RYVSHYLDIPNEPFYPFGYGKSYSEFELKTSSLPKELN-LGEPLHVEVTIKNISDIAGKEVIQVYLQDVTASISRPVKELKAFEKVALQAGEEKTVTFELTSEAFSFYNHQLEKVQEPGLHRIFVGTSSEDVDAFELEVGGYV |
3U48 Chain:A ((3-730)) | -MNQFINALMAKMTLDEKIGQLNLPGAGDITT-GQ--------ASSSGIAQKIKEGKVGGLFNIKSVTKIKEVQRIAVEESRLKIPLLFGMDVIHGYETAFPIPLGLSCTWDMELIEKSARIAAIEASADGICWTFSPMVDISRDPRWGRVSEGSGEDPYLGAQIAKAMVKGYQGKD--FS-DNTSIMACVKHFALYGAGEAGRDYNTVDMSRVRMYNEYFPPYKAAVDAGVGSVMTSFNEIDGIPATGNKWLMTDVLRKRIGAFKGFVVTDYTAINEMIDHGM-GDLQTVSALALRAGVDMDMVGEGFLTTLKKSLQEGKITQAQIDAACKRILEAKYKLGLFSDPYKYCNEERARTQIFTPEHRKIAREIAAQSFVLLKNDNNVLPLKKSGTIALVGPLADNRVNMPGTWSVAAKHAESVSLLEGLKKAAGNDARILYAHGSNLDEDKSLIERATMFGKTLKYDPRPKDVVIKEAVDI-ANQADVIVAALGESAEMSGEASSRSNIEIPALQRELLQALLKTGKPVVLVLFTGRPLALTWEHENVPAILNVWFAGTEAGDAISDALFGVVNPSGKLSATFPRNVGQVPIYYNHKNTGRP---LPEGQWFQKFRSNYLDVPNDPLYPFGYGLSFTKFTYGDLKLSSTNLKGNQTLTASIELTNSGDYDGAEVVQLYIRDLVGSTTRPVKELKGFQKVFLKKGETKTITFKITPEDLKFYNYDLKYDWEPGEFVIMVGGNSRDLKS--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3U48.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -265444 for 6465 contacts (-41.1/contact) +
2D Compatibility (PS) -74432 + (NN) -20670 + (LL) 1352
1D Compatibility (HY) -52800 + (ID) 14750
Total energy: -426744.0 ( -66.01 by residue)
QMean score : 0.499
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