Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEQKCLFVTIAGLPNAGKSTLINSITGKKIAIVTPKVQTTRTQIRGIAIYNETQIIFTDSPGIFSAETKLEKALVKSAWSAIKGDDVILLLIDASSYLKNIERIKTIFTRLRHTKTKCIFVINKIDLVKKPELKMTYKHLDLLYKLKKIFTISALKSDGLSDLMDYLSEVAPVSPWFYGEDQVTDSSTSFLSAEITREKLFLNLREELPYSTAVITEQFEEKKDESLVIKQVIFVLKDSHKKIVLGKGGSNIKKIGIEARIELEKLFERKVHLFLFVKVRPWTDRPEEYIDDV |
3GEH Chain:A ((223-385)) | ----TGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQ--EIYEQV--KHRPLILVMNKIDLVEKQLITS----LEYPENITQIVHTAAAQKQGIDSLETAILEIVQTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK------------------------------------------ |
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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) -122490 for 1044 contacts (-117.3/contact) +
2D Compatibility (PS) -15354 + (NN) -2750 + (LL) 5720
1D Compatibility (HY) -8400 + (ID) 2100
Total energy: -145374.0 ( -139.25 by residue)
QMean score : 0.566
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