Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSITKEFDTIAAISTPL--GEGAIGIVRISGTDALKIASKIYRGKDLSAIQSHTLNYGHIVDPDKNEILDEVMLGVMLAPKTFTREDVIEINTHGGIAVTNEILQLILRHGARMAEPGEFTKRAFLNGRVDLTQAEAVMDLIRAKTDKAMDIAVKQLDGSLKTLINNTRQEILNTLAQVEVNIDYPEYDDVEEMTTTLMREKTQEFQALMENLLRTARRGKILREGLSTAIIGRPNVGKSSLLNNLLREEKAIVTDIEGTTRDVIEEYVNIKGVPLKLVDTAGIRDTDDIVEKIGVERSKKALEEADLVLLVLNSSEPLTLQDRSLLELSKESNRIVLLNKTDLPQK--IEVNELPENVIPI---SVLENENIDKIEERINDIFFDNAGMVE-HDATYLSNARHISLIEKAVDSLKAVNEGLELGMPVDLLQVDMTRTWEILGEITGDAAPDELITQLFSQFCLGK |
| 3GEH Chain:A ((4-462)) | MAIT---GTIAAIATAIVPQQGSVGIVRVSGSQAIAIAQTLFDAPGKQVWESHRILYGYIRHPQTRQIVDEALLLLMKAPRSYTREDVVEFHCHGGIIAVQQVLQLCLESGARLAQPGEFTLRAFLNGRLDLTQAESIADLVGARSPQAAQTALAGLQGKLAHPIRQLRANCLDILAEIEARIDFEE--DLPPLDDEAIISDIENIAAEISQLLATKDKGELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKHRPLILVMNKIDLVEKQLITSLEYPENITQIVHTAAAQKQGIDSLETAILEIV--QTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159171 for 3373 contacts (-47.2/contact) +
2D Compatibility (PS) -46992 + (NN) -25618 + (LL) 1552
1D Compatibility (HY) -37600 + (ID) 8800
Total energy: -276629.0 ( -82.01 by residue)
QMean score : 0.526
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