Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIRFDNVSKKYSDDKTAAVNNVTLDIKDGEFFVFIGPSGCGKTTTLKMINRLIPLTTGTIYINEKRISDYDIHELRWDIGYVLQQIALFPHMTIEENIAIVPELKKWSKEKIHDRITELLDSVGLDPESYRHRKPAELSGGEQQRVGVVRALAADPGIILMDEPFSALDPISRQRLQQDISALQKKIKKTIVFVTHDMQEALALGDRICVMQGGEIVQVATPQEIMKNPENDFVKDFLASGHAFNTPILEANFTVNDLIEADLFYSYQTSDGTLGISSTEPVENLVRRIAEEQSIPVTDEAGNYIGTVSNKHVMQFLARHLESSGELV |
| 3PUW Chain:A ((4-258)) | -VQLQNVTKAWGE--VVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQL--AHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPV-KVTATAIDQVQVEL----------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169140 for 1948 contacts (-86.8/contact) +
2D Compatibility (PS) -27762 + (NN) -9934 + (LL) 4504
1D Compatibility (HY) -23600 + (ID) 4850
Total energy: -230782.0 ( -118.47 by residue)
QMean score : 0.589
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