Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFSPNHTIVTEFILLGLTDDPVLEKILFGVFLAIYLITLAGNLCMILLIRTNSHLQTPMYFFLGHLSFVDICYSSNVTPNMLHNFLSEQKTISYAGC-FTQCLLFIALVITEFYILASMALDRYVAICSPLHYSSRMSKNICVCLVTIPYMYGFLSGFSQSL--------LTFHLSFCGSLEI----------------NHFYCADPPLIML--------ACSDTRVKKMAMFVVAGFNLSSSLFIILLSYLFIFAAIFRIRSAEGRHKAFSTCASHLTIVTLFYGTLFCMYVRPPSEKSVEESKITAVFYTFLSPMLNPLIYSLRNTDVILAMQQMIRGKSFHKIAV |
3PWH Chain:A ((12-304)) | -----------------------------VELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAIT--ISTGFCAACHGCLFIACFVLV-LAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP------GCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTL----------QKEVHAAKSAAIIAGLFALCWLPLHIINCF--TFFC----PDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRS-------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3PWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -208510 for 1865 contacts (-111.8/contact) +
2D Compatibility (PS) -25432 + (NN) -3541 + (LL) 5248
1D Compatibility (HY) -20800 + (ID) 3350
Total energy: -256385.0 ( -137.47 by residue)
QMean score : 0.294
|
|
|