Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDIRLFR----NEPDTVKSKIELRGDDPKVVDEILELDEQRRKLISATEEMKARRNKVSEEIALKKRNKE--------NADDVIAE------------MRTLGDD-IKEKDSQLNEIDNKMTGILCRIPNLISDDVP-QGESDEDNVEVKKWG--TPREFSFEPKAHWDIVEELKMADFDRAAKVSGARFVYLTNEGAQLERALMNYMITKHTTQHGYTEMMVPQLVNADTMYGTGQLPKFEEDLFKVEKEGL---YTIPTAEVPLTNFYRNEIIQPGVLPEKFTGQSACFRSEAGSAGRDTRGLIRLHQFDKVEMVRFEQPED--SWNALEEMTTNAEAILEELGLPYRRVILCTGDIGFSASKTYDIEVWLPSYNDYKEISSCSNCTDFQARRANIRFKRDKAA--KPELAHTLNGSGLAVGRTFAAIVENYQNEDGTVTIPEALVPFMGGKTQISKPVK |
3VBB Chain:D ((2-460)) | VLDLDLFRVDKGGDPALIRETQEKRFKDPGLVDQLVKADSEWRRCRFRADNLNKLKNLCSKTIGEKMKKKEGDDEENVLSFDDLTADALANLKVSQIKKVRLLIDEAILKCDAERIKLEAERFENLREIGNLLHPSVPISNDEDVDNKVERIWGDCTVRK----KYSHVDLVVMVDGFEGEKGAVVAGSRGYFLKGVLVFLEQALIQYAL-RTLGSRGYIPIYTPFFMRKEVMQEVAQLS-FDEELYKVIGK--DEKYLIATSEQPIAALHRDEWLRPEDLPIKYAGLSTCFRQEV------TRGIFRVHQFEKIEQFVYSSPHDNKSWEMFEEMITTAEEFYQSLGIPYHIVNIVSGSLNHAASKKLDLEAWFPGSGAFRELVSCSNCTDYQARRLRIRYGQ---MMDKVEFVHMLNATMCATTRTICAILENYQTEKG-ITVPEKLKEFM----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VBB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100101 for 3118 contacts (-32.1/contact) +
2D Compatibility (PS) -42656 + (NN) -19101 + (LL) 688
1D Compatibility (HY) -29200 + (ID) 7500
Total energy: -197870.0 ( -63.46 by residue)
QMean score : 0.417
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