Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQVEVDLPNHSYHIKIEEGCFSEAGDWVSHLWQKQMITIITDSNVEILYGESLVNQLKKQGFTVHVFSFAAGEASKTLEVANRIYGFLAKHHMTRSDGIIALGGGVVGDLAAFVASTYMRGIHFLQIPTSLTAQVDSSIGGKTGVNTSFAKNMVGTFAQPDGVLIDPVTLKTLGNRELVEGMGEVIKYGLIDDIKLWHILEEMDGTI-DSILDSALAIIYHSCQVKRKHVLADQYDKGLRMHLNFGHTIGHAIEVHAGYGEIMHGEAVAIGMIQLSRVAERKNLMPRGISQDIYNMCLKFGLPVHYAE-WDKDVLFDILSHDKKASGQFIKIVILPQLGSATV-HQIPLEEMRDYLEK |
3OKF Chain:A ((36-385)) | -----NLGERSYPISIGAGLFAN-PALLSL-SAKQKVVIVTNHTVAPLYAPAIISLLDHIGCQHALLELPDGEQYKTLETFNTVMSFLLEHNYSRDVVVIALGGGVIGDLVGFAAACYQRGVDFIQIPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQPKAVVIDTDCLTTLPAREFAAGMAEVIKYGIIYDSAFFDWLEAQMEALYALDEQALTYAIARCCQIKAEVVAQDEK--GIRALLNLGHTFGHAIEAHMGYGNWLHGEAVSAGTVMAAKTAQLQGLIDASQFERILAILKKAHLPVRTPENMTFADFMQHMMRDKKVLAGELRLVLPTSIGTSAVVKGVPEAVIAQAIEY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OKF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244027 for 2932 contacts (-83.2/contact) +
2D Compatibility (PS) -36694 + (NN) -11028 + (LL) 1124
1D Compatibility (HY) -26000 + (ID) 6550
Total energy: -323175.0 ( -110.22 by residue)
QMean score : 0.491
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