Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --MSQANELLIGAGPDGQPVG-QAWR----LANRHGLIAGATGTGKTVTLQ-HLAESF-SDAGVAVFAADIKGDLCG-IAAPGNPQGKVAERIASMPWLNYQPKAYPTTLWDIAGKTGHPLRTTISEMGPLLLANLLELTDSQQAALFAAFQVADREGLLLLDLKDLKALLNH----LKDNPEILGEDRALFTGASGQALLRRLATLEQQGAEAFFGEPALQLEDILRPEPDGRGRIHLLDASRLVHEAPKVYATFLLWLLAELFEQLPERGDADKPVLALFFDEAH-LLFNGTPKALRDRLEQVVRLIRSKGVGVYFVTQSPGDLPDDVLAQLGLRIQHGLRAFTAKEQKSLRAVADGFRPNPAFDTLGVLTELGIGEALVGTLEEKGTPAMVQRVAVAPPYSRIG-PLSDSERAELVQRSPLKGRYDQPIDRESAYEVLANKAGAKPEVQGQATAQQESSSGVGGMAGQILGSLLSNSTVKSAMRQ-AANQLSRELVRGLLGSLMGGKKRR |
| 4AG6 Chain:A ((3-385)) | SGINDGSGIVLGKDRDGGLVLVDIWKRGGDRTNSNWTILAKPGAGKSFTAKMLLLREYMQ--GSRVIIIDPEREYKEMCRKLGG------------VWINCTGGEGKINPLQVRLRPQSPLALHIQTLRTFFSLYLRDLTDTEKAALEDALVEVYKEAGITWD-TDPRGVPNDKWPTVKELYEYCVKKAE-ENPETYGRLSVLLKRAAEGADSYLWAGP---------TAVEADSDFIVFDVHDLQNAEDQVKRAQYFNVLSFAWNILERDRRER---TVLVVDEAWMLVDPQTPQAIA-FLRDTSKRIRKYNGSLIVISQ-------------------NVIDFL---APEVQRYGQALLDNPTYKLL-----LAQGEKDLEAITTL-------------------MNLSEAEHDLLVNAKR-------------------------------------------GEGLFVAGTQRIHIKIEAAPYEMQY---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AG6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161935 for 2974 contacts (-54.5/contact) +
2D Compatibility (PS) -38535 + (NN) -19082 + (LL) 8436
1D Compatibility (HY) -15600 + (ID) 3500
Total energy: -230216.0 ( -77.41 by residue)
QMean score : 0.426
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