Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSCVKLWPSGAPAPLVSIEELENQELVGKGGFGTVFRAQHRKWGYDVAVKIV-----NSKAISREVKAMASLDNEFVLRLEGVIEKVNWDQDPKPALVTKFMENGSLSGLLQSQCPRPWPLLCRLLKEVVLGMFYLHD--------QNPVLLHRDLKPSNVLLDPELHVKLADFGLS-TFQGGSQSGTGSGEPGGTLGYLAPELF---VNVNRKASTASDVYSFGILMWAVLAGR---------------EVELPTEPSL--VYEAVCNRQNRPSLAELPQAGPETPGLEGLKELMQLCWSSEPKDRPSFQECLPKTDEVFQMVENNMNAAVSTVKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK |
3Q4T Chain:A ((26-305)) | --------------------LQLLEVKARGRFGCVWKAQ--LLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGA-EKRGTSVDVDLWLITAFHEKGSLSDFLKANVV-SWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSAGDTHGQV-GTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWE-LASRCTAADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQ---KHAGMAMLCETIEECWDHDAEARLSAGCVGERITQMQR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3Q4T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87704 for 1884 contacts (-46.6/contact) +
2D Compatibility (PS) -26250 + (NN) -10868 + (LL) 9140
1D Compatibility (HY) -18400 + (ID) 4550
Total energy: -138632.0 ( -73.58 by residue)
QMean score : 0.432
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