Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYSKEIIQLAIPAMIENILQMLMGVVDNYLVAQLGVVAVSGVSVANNIITVYQAIFIALGASIASLLAKSLAGSEKDDAISVCSQAIFLTLLIGAVLGIISIVFGQTFFKLLGTTKSVAQVGGLYLAIVGGGVVTLGMLTTLGSFLRVQGQPRLPMYVSIFVNFLNAVLSGFAIFEWRYGLVGVAVSTLIARLIGICILAKYLPIKKIIKRMTW------------KISAQIWNLALPSAGERLMMRAGDVVIVAIVVQL-GTNVVAGNAIGETLTQFNYMPGLGIATATIILTAKYVGQKNRESIEETIQSSYYIGLVLMILISSFMLLAGKPLTQLFTNNPSAIKGSLIVILLSF-VGVPATIGTLVYTAAWQGLGNAKLPFYTTTIGMWLIRVVLGYLLGIVFELGLLGVWMATIADNIFRWLFLKVHYHRYIQKM |
3VVR Chain:A ((17-434)) | ---KKAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLGFGVVGAAYATLLSMVVTSLFIAYWL----FVKRDTYVDITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAG-ENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY----IKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVH----GLRGVWIGIVIGNMVAAIVGFLWGRMRISAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VVR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -371156 for 3427 contacts (-108.3/contact) +
2D Compatibility (PS) -40102 + (NN) -4395 + (LL) 920
1D Compatibility (HY) -34000 + (ID) 4950
Total energy: -453683.0 ( -132.38 by residue)
QMean score : 0.360
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