Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIYFDNSATTIPYPEVLRTYQEVASKI-------YGNPSSLHELGTTSSRILEASRKQIASLLELKANEIFFTSGGTEADNWVIKGLAFEKQHFGN-HIIVSDIEHPAIKESAKWLGEYGFEIDYAPVDDKGFVDVEALVKLIKPETILISIMAINNEIGSIQPIKAISDLLSDKPTISFHIDAVQAIGKIPTKDYLTERVDFASFSSHKFHGVRGVGFLYIK-------EGKRISPLLTGGGQESDLRSTTENVAGIAATAKALRMVMDKEVVAIPKISKMKTIIHDELAKYEDITLFSGKEDFSPNIITFGIKGVRGEVLVHAFEGHDIFISTTSACSSKAGKPAGTLIAMGISTKLAQTAVRISLDDDNDMGQVEQFLTIFKQVYEKTKKVRG |
| 3VAX Chain:B ((22-375)) | -TYLDAAATT-------RVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTY-LHVDAAQGYGKVPGD--LTTPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLAST-SFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDL-VAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153929 for 2846 contacts (-54.1/contact) +
2D Compatibility (PS) -36714 + (NN) -16054 + (LL) 2524
1D Compatibility (HY) -18000 + (ID) 5700
Total energy: -227873.0 ( -80.07 by residue)
QMean score : 0.459
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