Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYSKEIIQLAIPAMIENILQMLMGVVDNYLVAQLGVVAVSGVSVANNIITVYQAIFIALGASIASLLAKSLAGSEKDDAISVCSQAIFLTLLIGAVLGIISIVFGQTFFKLLGTTKSVAQVGGLYLAIVGGGVVTLGMLTTLGSFLRVQGQPRLPMYVSIFVNFLNAVLSGFAIFEWRYGLVGVAVSTLIARLIGICILAKYLPIKKIIKRMTW------------KISAQIWNLALPSAGERLMMRAGDVVIVAIVVQL-GTNVVAGNAIGETLTQFNYMPGLGIATATIILTAKYVGQKNRESIEETIQSSYYIGLVLMILISSFMLLAGKPLTQLFTNNPSAIKGSLIVILLSF-VGVPATIGTLVYTAAWQGLGNAKLPFYTTTIGMWLIRVVLGYLLGIVFELGLLGVWMATIADNIFRWLFLKVHYHRYIQKM |
3VVS Chain:A ((17-434)) | ---KKAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLGFGVVGAAYATLLSMVVTSLFIAYWL----FVKRDTYVDITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFT-----IKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -371981 for 3462 contacts (-107.4/contact) +
2D Compatibility (PS) -40409 + (NN) -2428 + (LL) 408
1D Compatibility (HY) -34400 + (ID) 5050
Total energy: -453860.0 ( -131.10 by residue)
QMean score : 0.367
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