Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------MRLLERMRKDWFMVGIVLAIAGAKLEPSIGVNGGP-------LKPEITVSYI---AVATIFFNSGLSLKTE-------ELTSALVHLKLHLFIQIFTLAF-------------------FPATIWLFLQLLSITPI-----------NEWLLKGLQTVGCMPPPVSSAVILTK---------AVGGNEAAAIFNSAFGSFLGIVITPLLLLLFLGSSSSVPFTSIFSQLFMTVVVPLIIGQIVRRYIKDWLERKKPPFGAISSSVLLMIIYTTFCDTFSN---------PNIDLDKFSLVLILFIIFSIQLSFMLLTFIFSTRNNSGFTPADTVAIIF----CSTHKSLTLGIPML------KIVFAGHEHLSLISVPLLIYHPAQILLGSVLVPTIKSW-----MVSRQKKLLQTRGPLANLNNPEGLEYLSIKFGH------------------- |
3MK7 Chain:A ((5-470)) | TSTAYSYKVVRQFAIMTVVWGIVGMGLGVFIAAQLAWPFLNFDLPWTSFGRLRPLHTNAVIFAFGGCALFATSYYSVQRTCQTTLFAPKLAAFTFWGWQLVILLAAISLPLGFTSSKEYAELEWPIDILITIVWVAYAVVFFGTLAKRKVKHIYVGNWFFGAFILTVAILHVVNNLEIPVTAMKSYSLYAGATDAMVQWWYGHNAVGFFLTAGFLGIMYYFVPKQAERPVYSYRLSIVHFWALITVYIWAGPHHLHYTALPDWAQSLGMVMSLILLAPSWGGMINGMMTLSGAWHKLRSDPILRFLVVSLAFYGMSTFEGPMMAIKTVNALSHYTDWTIGHVHAGALGWVAMVSIGALYHLVPKVFGREQMHSIGLINTHFWLATIGTVLYIASMWVNGIAQGLMWRAINDDGTLTYSFVESLEASHPGFVVRMIGGAIFFAGMLVMAYNTWRTVQAAKPAEYDAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MK7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -246359 for 3001 contacts (-82.1/contact) +
2D Compatibility (PS) -36358 + (NN) -8455 + (LL) 0
1D Compatibility (HY) -20000 + (ID) 2450
Total energy: -313622.0 ( -104.51 by residue)
QMean score : 0.215
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