Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRIVQPVIEQLKAQSHPVCHYIYDLVGLEHHLQHITSSLP-SNCQMYYAMKANSERTILDTISQYVEGFEVASQGEIAKGL-AFKPANHIIFGGPGKTDEELRYAVSEGVQRIHVESMHELQRLNAILEDEDKTQHILLRVNLA-GPFPNATLHMAGRPTQFGISEDEVDDVIEAALVMPNIHLDGFHFHSISNNLDSNLHVDVVKLYFKKAKSWSEKHRFPLKHINLGGGIGVNYADLTSQFEWDNFVENFKTLIVEQEMEDVTLNFECGRFIVAHIGYYVTEVLDIKKVHGAWYAILRGGTQQFRLPVSWQHNHPFEIYRYKDNPYSFEKVSISRQDTTLVGQLCTPKDVFAREVQIDAISTGDVIVFKYAGAYGWSISHHDFLSHPHPEFIYLTQTKEDE |
| 3VAB Chain:A ((41-419)) | ---------PEIAKAVGTPFYVYSRATIERHFRVFHDAFADMDTLVTYALKANSNQAVLTALAKLGAGADTVSQGEIRRALAAGIPANRIVFSGVGKTPREMDFALEAGIYCFNVESEPELEILSARAVAAGKVAPVSLRINPDVDAKTHAKI---KSENKFGIPRDKARAAYARAASLPGLNVVGIDMHIGSQIIDLEPFDNAFALMAELVKEL-QADGHNIRHVDVGGGLGIPYRTP--PPPPVAYAQIVAKHIKPL---GLKTVFEPGRLIVGNAGLLVTEVIFVKEGDAKNFVIVDAAMNDLIRPTLYDAFHDIRPVIMPN-------DNAPRIRADFVGPVCETGDYLGLDREVAKPAPGDLIAICTTGAYGAVLSST-YNSRLLIPEVLGDGE---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -222105 for 3142 contacts (-70.7/contact) +
2D Compatibility (PS) -38731 + (NN) -7840 + (LL) 2256
1D Compatibility (HY) -14400 + (ID) 4600
Total energy: -285420.0 ( -90.84 by residue)
QMean score : 0.490
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