Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNNGLDIQDKPPAPPMRNTSTMIGAGSKDAGTLNHGSKPLPPNPEEKKKKDRFYRSILPGDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKNPQAVLDVLEFYNSKKTSNSQKYMSFTDKSAEDYNSSNALNVKAVSETPAVPPVSEDEDDDDDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTEKQKKKPKMSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQ---QPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTE-----------------T-----C-----------------MDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDG--SVKLTDFGFCAQITPEQ--SKRSTMVGTPYWMAPEVVTR--KAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNP--EKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH |
3HKO Chain:A ((26-336)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ-KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVL-NKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQ---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132803 for 1934 contacts (-68.7/contact) +
2D Compatibility (PS) -27033 + (NN) -16513 + (LL) 11892
1D Compatibility (HY) -16800 + (ID) 4250
Total energy: -185507.0 ( -95.92 by residue)
QMean score : 0.195
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