Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNNLKLSEEIKRAINELGYTEATPVQKAVIPVALTG--EDIVAKSQTGSGKTAAFAIPIAEQVEWEENKPQALIIVPTRELAMQVKTECTNIGRFKRVKAAAIYGQSPFAKQKLELSQKNHIVVGTPGRLLDHIEKGSLNVDKVAHLVLDEVDEML-SMGFIDQVEDILSRLPKQRQNLFFSATMPEEMQDLIKRYQDNPMVIEMASEKTNPIFHVEMQTDNKEKTLKDVLITE-----NPDSAIIFCNTKNQVDELTDLLDVKA---SKIHGGLRQEDRFRAMDDFKSGKSRFLIATDVAGRGIDVDNVSLVINYDLPI------EKENYVHRIGRTGRAGKSGKAISFVK-TNENPLLRDIEEMLDVTIEKKRKPTVIEVKVNEDAFRKKQQKRPTIKKARGEKLNKNIMKLYFNGGKKKKIRAVDFVGTISKLEGITAEDIGIITIEDHVSFVEILNGKGPAVLEMMRSRKVKGRRLKVNEARKR |
| 3PEW Chain:A ((7-379)) | FDELGLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTKITSQLIVPDS-FEKNKQINAQ---VIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGVMTIGSSIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFVHDKNSFNILSAIQKYFG-DIEMTRVPT-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136585 for 3034 contacts (-45.0/contact) +
2D Compatibility (PS) -38550 + (NN) -15178 + (LL) 8356
1D Compatibility (HY) -27200 + (ID) 6500
Total energy: -215657.0 ( -71.08 by residue)
QMean score : 0.419
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