Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSQKRLVQRVERKLEQTVGDAFARIFGGSIVPQEVEALLRREAADGIQSLQGNRLLAPNEYIITLGVHDFEKLGADPELKSTGFARDLADYIQEQGWQTYGDVVVRFEQSSNLHTGQFRARGTVNPDVETHPPVIDCARPQSNHAFGAEPGVAPMSDNSSYRGGQGQGRPDEYYDDRYARPQEDPRGGPDPQGGSDPRGGYPPETGGYPPQPGYPRPRHPDQGDYPEQIGYPDQGGYPEQRGYPEQRGYPDQRGYQDQGRGYPDQGQGGYPPPYEQRPPVSPGPAAGYGAPGYDQGYRQSGGYGPSPGGGQPGYGGYGEYGRGPARHEEGSYVPSGPPGPPEQRPAYPDQGGYDQGYQQGATTYGRQDYGGGADYTRYTESPRVPGYAPQGGGYAEPAGRDYDYGQSGAPDYGQPAPGGYSGYGQGGYGSAGTSVTLQLDDGS--GRTYQLREGSNIIGR-GQDAQFRLPDTGVSRRHLEIRWDGQVALLADLNSTNGTTVNNAPVQE-WQLADGDVIRLGHSEIIVRMH------------ |
4A0E Chain:A ((1-108)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSWVCRFYQGKHRGVEVELPHGRCVFGSDPLQSDIVLSDSEIAPVHLVLMVDEEGIRLTDSA--EPLLQEGLPVPLGTLLRAGSCLEVGFLLWTFVAVGQPLPETLQVPT |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A0E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -40361 for 654 contacts (-61.7/contact) +
2D Compatibility (PS) -10178 + (NN) -4146 + (LL) 2784
1D Compatibility (HY) -5600 + (ID) 900
Total energy: -58401.0 ( -89.30 by residue)
QMean score : 0.476
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