Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIRFDNVSKKYSDDKTAAVNNVTLDIKDGEFFVFIGPSGCGKTTTLKMINRLIPLTTGTIYINEKRISDYDIHELRWDIGYVLQQIALFPHMTIEENIAIVPELKKWSKEKIHDRITELLDSVGLDPESYRHRKPAELSGGEQQRVGVVRALAADPGIILMDEPFSALDPISRQRLQQDISALQKKIKKTIVFVTHDMQEALALGDRICVMQGGEIVQVATPQEIMKNPENDFVKDFLASGHAFNTPILEANFTVNDLIEADLFYSYQTSDGTLGISSTEPVENLVRRIAEEQSIPVTDEAGNYIGTVSNKHVMQFLARHLESSGELV |
| 3PUX 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: 3PUX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166225 for 1951 contacts (-85.2/contact) +
2D Compatibility (PS) -27775 + (NN) -10294 + (LL) 4504
1D Compatibility (HY) -23600 + (ID) 4850
Total energy: -228240.0 ( -116.99 by residue)
QMean score : 0.589
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