Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVECAVDSGFATLPVLPLRDVVIFPNIVVPLFIGREKSISALEYAINNRSRQNEIFLVAQQDGSIDNPEPKDLYEVGVLANIVQPLIKLPDNAVKVVIQGVSRGKVIEYIDSHALLQARVELDSYHEYEESEDNVDLEALRRAVINAFDSWCKLNKKNHPEIIVNPVEQIKKIDQLVDTVISYLSIKASDKQSILETYSLEERLKKAFAFIEREISILNAQNRLYKTIKSQVESTQKVYYLNEQLKAIQKELGEFENGEEGNIINEFEKKINEIKLSQEAREKAMTELKRYKKMNPISPEATVISNYLYWLLDLPWGKYKDAKINLNAAKKILDENHYGIEKVKDRIIEFLAVLKRVKEIKGPILCLVGPPGVGKTSLAKSMARAVGRDFVRIALGGVRDESEIRGHRKTYIGSMPGKIIQHMKKANSCNPLFLLDEIDKMGSDSRGDPASALLEVLDTEHNKHFTDHYLEVEFNLSSVMFVATANSL-NLPHPLRDRMEIIQLSGYTEDEKINIAKYHLIPKLKKEHGLRQREWGITNDALYELIRLYTRESGVRSMERELAKLMRKAVKEILAGQNKKISVGVDNLQDYLGVRKYTFGIAEKDSLVGVVTGLAYTETGGDILMIESVLIPGKGEIKYTGKLGEVMQESIKAAYSYVRSNCLFFGIKPEKFKNNDIHLHLPEGAVPKDGPSAGSAVCTSIVSLMTNIPINKNVAMTGEVTLRGRVLAIGGLREKLLAALRGSIKTVIIPGENEKDMQEIPANIKKEINVVFVKNIDEVIKIALIRPTIPIESDNGSSALFSL |
3M6A Chain:A ((7-531)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGEVQTLTEKIEEAGMPDHVKETALKELNRYEKIPSSSAESSVIRNYIDWLVALPWTDETDDKLDLKEAGRLLDEEHHGLEKVKERILEYLAVQKLTKSLKGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLGG--------------------RIIQGMKKAGKLNPVFLLDEIDKM---------SAMLEVLDPEQNSSFSDHYIEETFDLSKVLFIATANNLATIPGPLRDRMEIINIAGYTEIEKLEIVKDHLLPKQIKEHGLKKSNLQLRDQAILDIIRYYTREAGVRSLERQLAAICRKAAKAIVAEERKRITVTEKNLQDFIGKRIFRYGQAETEDQVGVVTGLAYTTVGGDTLSIEVSLSPGKGKLILTGKLGDVMRESAQAAFSYVRSKTEELGIEPDFHEKYDIHIHVPEGAVPKDGPAAGITMATALVSALTGRAVSREVGMTGEITLRGRVLPIGGLKEKALGAHRAGLTTIIAPKDNEKDIEDIPESVREGLTFILASHLDEVLEHALV------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M6A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -280556 for 3989 contacts (-70.3/contact) +
2D Compatibility (PS) -53845 + (NN) -18627 + (LL) 21916
1D Compatibility (HY) -46400 + (ID) 13450
Total energy: -390962.0 ( -98.01 by residue)
QMean score : 0.501
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