Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDRAKFIFVTGGVLSSLGKGISSSSIATLLQHCNYQVSILKIDPYINIDPGTMSPLEHGEVFVTSDGAETDLDIGHYERFLNRNLTRLNNFTTGQIFSSVIENERKGEYLGKTIQIVPHVTDEIKRRIKSAAKGLDFLIVEVGGTVGDMEGMFYLEAIRQLKLELGNEKVINVHVTLIPYIQTTNELKTKPTQHSVQELRRLGVTPQIILARSPKPLDKELKKKIALSCDVEQDSVIVATDTKSIYACPILFLQEGILTPIARRFNLNKLHPKMAAWNTLVEKIIAPKHKVKIGFVGKYLSLKESYKSLIEALIHAGAHLDTQVNIEWLDSENFNE-------------KTDLEGVDAILVPGGFGERGIEGKICAIQRARLEKLPFLGICLGMQLAIVEFCRNVLGLKGANSTEFNQRCEYPVVYLIEDFMDQNHQKQVRTYNSPLGGTMRLGEYEC-EIMPNSLLEKAYKK-PNIKERHRHRYEINPKYRQEWENKGLKVVGFGANH-LIEAIELEDHPFFVGVQFHPEFTSRLQSPNPIILDFIKSALHKS |
2V4U Chain:A ((296-550)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKICSIALVGKYTKLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEKITETEDPVKFHEAWQKLCKADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGV-LGMQLAVIEFARNCLNLKDADSTEFRPNAPVPLVIDMPE-----------HNPGNLGGTMRLGIRRTVFKTENSILRKLYGDVPFIEERHRHRFEVNPNLIKQFEQNDLSFVGQDVDGDRMEIIELANHPYFVGVQFHPEFSSRPMKPSPPYLGLLLAATGN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2V4U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136889 for 1993 contacts (-68.7/contact) +
2D Compatibility (PS) -25700 + (NN) -10301 + (LL) 21276
1D Compatibility (HY) -20000 + (ID) 5350
Total energy: -176964.0 ( -88.79 by residue)
QMean score : 0.524
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