Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRIVQPVIEQLKAQSHPVCHYIYDLVGLEHHLQHITSSLPS-NCQMYYAMKANSERTILDTISQYVEGFEVASQGEIAKGLAFK-PANHIIFGGPGKTDEELRYAVSEGVQRIHVESMHELQRLNAILEDEDKTQHILLRVNLAGPFPNATLHM--AGRP-TQFGISEDEVDDVIEAALVMPNIHLDGFHFHSISNNLDSNLHVDVVKLYFKKAKSW-SEKHRFPLKHINLGGGIGVNYADLTSQFEWDNFVENFKTLIVEQEMEDVTLN--FECGRFIVAHIGYYVTEVLDIKKVHGAWYAILRGGTQQFRLPVSWQHNHPFEIYRYKDNPYSFEKVSISRQDTTLVGQLCTPKDVFAREVQIDAISTGDVIVFKYAGAYGWSISHHDFLSHPHPEFIYLTQTKEDE |
| 3VAB Chain:A ((42-402)) | --------EIAKAVGTP--FYVYSRATIERHFRVFHDAFADMDTLVTYALKANSNQAVLTALAKLGAGADTVSQGEIRRALAAGIPANRIVFSGVGKTPREMDFALEAGIYCFNVESEPELEILSARAVAAGKVAPVSLRIN---PDVDAKTHAKI--KSENKFGIPRDKARAAYARAASLPGLNVVGIDMHIGSQIIDLEPFDNAFALMAELVKELQADGHN--IRHVDVGGGLGIPYRTP---PPPPVAYAQ----IVAKHIKPLGLKTVFEPGRLIVGNAGLLVTEVIFVKEGDAKNFVIVDAAMNDLIRPTLYDAFHDIR-------PVIMPNDNAPRIRADFVGPVCETGDYLGLDREVAKPAPGDLIAICTTGAYGAVLS---------------------- |
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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) -179720 for 2877 contacts (-62.5/contact) +
2D Compatibility (PS) -36133 + (NN) -7091 + (LL) 3632
1D Compatibility (HY) -17200 + (ID) 5000
Total energy: -241512.0 ( -83.95 by residue)
QMean score : 0.440
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