Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLNMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAVKDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFK--LKIEQLRR---DSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT |
3AQB Chain:B ((9-324)) | ----FLNPYIIEVEKRLYECIQSDSETINKAAHHILSSGGKRVRPMFVLLSGFLNDTQ--KDDLIRTAVSLELVHMASLVHDDYIDNSDMRRGNTSVHIAFDKDTAIRTGHFLLARALQNIATINNSKFHQIFSKTILEVCFGEFDQMADRFNYPVSFTAYLRRINRKTAILIEASCHLGALSSQLDEQSTYHIKQFGHCIGMSYQIIDDILDYTSDEATLGKPVGSDIRNGHITYPLMAAIANLKEQDDDKLEAVVKHLTSTSDDEVYQYIVSQVKQYG-IEPAELLSRKYGDKAKYHLSQLQDSNIKDYLEEIHEKMLKRV- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3AQB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -109763 for 2551 contacts (-43.0/contact) +
2D Compatibility (PS) -33530 + (NN) -18522 + (LL) 788
1D Compatibility (HY) -25200 + (ID) 6600
Total energy: -192827.0 ( -75.59 by residue)
QMean score : 0.509
|
|
|