Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSG--GKKVRPKLVFIICKMLNYSGEDRVK---VAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQM----AARFN-SHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSS------YKIALIDFLNASIERQA |
3AQ0 Chain:A ((13-346)) | --------------LVADELSLLSNKL-REMVLAEVPKLASAAEYFFKRGVQGKQFRSTILLLMATALDV-SELRVRQRGIAEITEMIHVASLLHDDVLDDADTRRGVGSLNVVMGNKMSVLAGDFLLSRACGALAALKNTEVVALLATAVEHLVTGETMEITSSTAARYSMDYYMQKTYY-----KTASLISNSCKAVAVLTGQTAEVAVLAFEYGRNLGLAFQLIDDILDFTGTSASLGKGSLSDIRHGVITAPILFAMEE-FPQLREVVDQVAA-DPRNVDIALEYLGKSKGIQRARELAMEHANLAAAAIGSLPETDNEDVKRSRRALIDLTHRVITRNK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQ0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160806 for 2455 contacts (-65.5/contact) +
2D Compatibility (PS) -32112 + (NN) -12993 + (LL) 736
1D Compatibility (HY) -21200 + (ID) 5250
Total energy: -231625.0 ( -94.35 by residue)
QMean score : 0.453
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