Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIMLVFITLILVSLPIAQQTEAKDASAFNKENSISSMAPPASPPASPKTPIEKKHADEIDKYIQGLDYNKNNVLVYHGDAVTNVPPRKGYKDGNEYIVVEKKKKSINQNNADIQVVNAISSLTYPGALVKANSELVENQPDVLPVKRDSLTLSIDLPGMTNQDNKIVVKNATKSNVNNAVNTLVERWNEKYAQAYPNVSAKIDYDDEMAYSESQLIAKFGTAFKAVNNSLNVNFGAISEGKMQEEVISFKQIYYNVNVNEPTRPSRFFGKAVTKEQLQALGVNAENPPAYISSVAYGRQVYLKLSTNSHSTKVKAAFDAAVSGKSVSGDVELTNIIKNSSFKAVIYGGSAKDEVQIIDGNLGDLRDILKKGATFNRETPGVPIAYTTNFLKDNELAVIKNNSEYIETTSKAYTDGKINIDHSGGYVAQFNISWDEVNYDPEGNEIVQHKNWSENNKSKLAHFTSSIYLPGNARNINVYAKECTGLAWEWWRTVIDDRNLPLVKNRNISIWGTTLYPKYSNKVDNPIE |
3CQF Chain:A ((46-506)) | -------------------------------------------------------KNASDINTGIANLKYDSRDILAVNGDKVESFIPKESINSNGKFVVVEREKKSLTTSPVDILIIDSVVNRTYPGAVQLANKAFADNQPSLLVAKRKPLNISIDLPGM-RKENTITVQNPTYGNVAGAVDDLVSTWNEKYSTTH-TLPARMQYTESMVYSKSQIASALNVNAKYLDNSLNIDFNAVANGEKKVMVAAYKQIFYTVSAELPNNPSDLFDNSVTFDELTRKGVSNSAPPVMVSNVAYGRTVYVKLETTSKSKDVQAAFKALLKNNSVETSGQYKDIFEESTFTAVVLGGD-----KVVTKDFNEIRNIIKDNAELSFKNPAYPISYTSTFLKDNATAAVHNNTDYIETTTTEYSSAKMTLDHYGAYVAQFDVSWDEFTFDQNGKEVLTHKTWEGSGKDKTAHYSTVIPLPPNSKNIKIVARECTGLAWEWWRTIINEQNVPLTNEIKVSIGGTTLYP----------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CQF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -103088 for 3614 contacts (-28.5/contact) +
2D Compatibility (PS) -48622 + (NN) -11495 + (LL) 4544
1D Compatibility (HY) -42000 + (ID) 9600
Total energy: -210261.0 ( -58.18 by residue)
QMean score : 0.407
|
|
|