Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQTNPSFNPSPRYKSKKGWYKDKPPKEKGGMPTEVEIAGPIVIENKFIDPKTNTEKVIITDEDQKEIVESSDILTTQKLPSLMKYGFSINEKYTKDLGYALQQMRNQLPISYLYEGVGILETPFGPIVSLSEIYTTKEFDNKSPSDAICDNAYDLTPKGTFDNWFNMYLKEVKGSLLLELAVVFGISALVTSFLKHKHETEFAGIIFSFTGQSSTGKSTAASLAVSVAGNPTKGNETLFRNWNATRNALEGYL-SNNFGIPIVFDELSSATFRDTTGLLYSITEGQGRQRSNVHGEVKTPKNWGTSVISTSEHSIFNDSAQNDGLRVRTIEINEQFTTNATNADNIKKAVALNYGHVLPLVAKYLINREDEVIQWFYKEVDWFEAKLKDDKSNTGNRMFKRYAVITTSAKILGRVLATDIDIAKIRDYFIDYHGHTISERSLADKAIDVIIQFVAQNRGKFSDEGALKNMFENYGLISLKDDHIEVKMIANVFKQMLNNHQFQDVNNVVNALRDKGFILADRGRQTTKRSVKDNSGKKQSLVFYHLKLDVEFASILGLTKDKSLIQNWTPANDNKAAKELFKSANEGIGPSGVHEDF |
1IN4 Chain:A ((50-131)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLDHVLLAGPPGLGKTTLAHIIASELQTNIHVT--SGPVLVKQ-GDMAAILTSLERGDVLFIDEIHRLNK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -4371 for 368 contacts (-11.9/contact) +
2D Compatibility (PS) -7237 + (NN) -2778 + (LL) 32560
1D Compatibility (HY) -800 + (ID) 550
Total energy: 16824.0 ( 45.72 by residue)
QMean score : 0.198
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