Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKRYAVVLAAGQGTRMKSKLYKVLHPVCGKPMVEHVVDQISTLNVDKVVTIVGHGAEKVQ-------EHLAGKSEFVKQDEQLGTAHAVLQAKAELAGK-DGVTLVVCGDTPLIEASTMEALLKYHHEKRAKATILTTVIEDPTGYGRIIRDDLGIVEKIVEHKDATEKEQRISEINTGTYCFDNKALFEALENVSNDNVQGEYYLPDVIKILKDSDEVVAAYRMESFEESLGVNDRIALAEASKLMQRRINENHMRNGVTLVNPESTYIDIDVKIGQDTVIEPGVMLRGKTVIGDDCVVTSGSEIVNSVIGERVHVRTSSIFESKVGDDVQIGPYAHLRPESDIHDHVKIGNYVETKKAVVGEGTKLPHFIYMGDAEIGKNVNVGCGSIAVNYDGKNKAKTIIGDNVFVGCNSNLIAPVKVGDRAFIAAGSTITKDVPEDALGIARAKQDNKLGYAKHLNHSK |
2QKX Chain:A ((12-391)) | ------LVLAAGPGTRMRSDTPKVLHTLAGRSMLSHVLHAIAKLAPQRLIVVLGHDHQRIAPLVGELADTLGRTIDVALQDRPLGTGHAVLCGLSALPDDYAGNVVVTSGDTPLLDADTLADLIATHRAVSAAVTVLTTTLDDPFGYGRILRTQDHEVMAIVEQTDATPSQREIREVNAGVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRSDGQTVHASHVDDSALVAGVNNRVQLAELASELNRRVVAAHQLAGVTVVDPATTWIDVDVTIGRDTVIHPGTQLLGRTQIGGRCVVGPDTTLTDVAVGDGASVVRTHGSSSSIGDGAAVGPFTYLRPGTALGADGKLGAFVEVKNSTIGTGTKVPHLTYVGDADIGEYSNI------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QKX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234116 for 3145 contacts (-74.4/contact) +
2D Compatibility (PS) -41287 + (NN) -20060 + (LL) 4152
1D Compatibility (HY) -24000 + (ID) 7550
Total energy: -322861.0 ( -102.66 by residue)
QMean score : 0.463
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