Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTIQWFPGHMAKARREVTEKLKLVDVIFELVDARIPLSSSNPMLEEIIHQKRRVIILNKADTADEKT----TKEWIDYFAE-KG---LPAVAVNAQEGKGLFKIEQAAEKLMAEKFDRLRSKGMKPRAIRAMILGIPNVGKSTLINRLAKK-----NIARTGNKPGVTKAQQWIKVGKTLELLDTPGILWPKFEDQEIGYKLALTGAIKDDLLQMEEIAGYGLRFLENHYPDRLQTWLKVETVSEDPIETLAFIAEKRGLLDRYNDPDYSRAAETVVREIRQQKLGRMSFDFPNWEDEVE |
3EC1 Chain:A ((65-226)) | ----------------LHRIGESKALVVNIVDIFDFNGSFIPGLPRFAADNPILLVGNKADLLPRSVKYPKLLRWMRRMAEELGLCPVDVCLVSAAKGIGMAKVMEAINRYR--------------EGGDVYVVGCTNVGKSTFINRIIEEATGKGNVITTSYFPGTTLDMIEIPLESGATLYDTPGIINHH------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EC1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -47998 for 1108 contacts (-43.3/contact) +
2D Compatibility (PS) -16091 + (NN) -5948 + (LL) 10164
1D Compatibility (HY) -7600 + (ID) 2050
Total energy: -69523.0 ( -62.75 by residue)
QMean score : 0.442
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