Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFV-CTLPFWAYAG-IHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVF----NLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAG------------------------------------------------------------------------------------------------------------------------------------------------------------------GFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL |
3UON Chain:A ((22-457)) | -----------------------------EVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVK--RTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF-FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRINIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCA----PCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLM-------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UON.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -230365 for 1972 contacts (-116.8/contact) +
2D Compatibility (PS) -26873 + (NN) -3796 + (LL) 4236
1D Compatibility (HY) -22800 + (ID) 2900
Total energy: -282498.0 ( -143.25 by residue)
QMean score : 0.296
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