Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQVEVDLPNHSYHIKIEEGCFSEAGDWVSHLWQKQMITIITDSNVEILYGESLVNQLKKQGFTVH------VFSFAAGEASKTLEVANRIYGFLAKHHMT--RSDGIIALGGGVVGDLAAFVASTYMRGIHFLQIPTSLTAQVDSSIGGKTGVNTSFAKNMVGTFAQPDGVLIDPVTLKTLGNRELVEGMGEVIKYGLIDDIKLWHILEEMDGTIDSILDSAL---------------AIIYHSCQVKRKHVLADQYDKGLRMHLNFGHTIGHAIEVHAGYGEIMHGEAVAIGMIQLSRVAERKNLMPRGISQDIYNMCL-KFGLPVHYAE-----------WDKDVLFDILSHDKKASGQFIKIVILPQLGSATVHQIPLEEMRDYLEK |
1NUA Chain:A ((41-373)) | --------------------------------------LVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRREVTPGEHRFEGTEEILKARILASARHKAYVVSA----GGLRNLLNWGHSIGHAIEAIL-TPQILHGECVAIGMVKEAELARHLGIL-KGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALD----GPKKKIVLLSAIGTPYETRASVVANEDIRVV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NUA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189715 for 2325 contacts (-81.6/contact) +
2D Compatibility (PS) -30573 + (NN) -8345 + (LL) 2972
1D Compatibility (HY) -21200 + (ID) 5700
Total energy: -252561.0 ( -108.63 by residue)
QMean score : 0.377
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