Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDFWLYKQAQQNGHHIAITDGQESYTYQNLYCEASLLAKRLKAYQ---QSRVGLYIDNSIQSIILIHACWLANIEIAMINTRLTPNEMTNQMRSIDVQLIFCTLPLELRGFQIVSLDDIEFAGRDITTNG---LLDNTMGIQYDTSNETVVPKESPSNILNTSFNL------DDIASIMFTSGTTGPQKAVPQTFRN------HYASAI-GCKESLGFDRDTNWLSVLPIYHISGLSVLLRAVIEGFTVRIVDKFNAEQILTMIKNERITHISLVPQTLNWLMQQGLHEPY---NLQKILLGGAKLSATMIET-ALQYNLP-IYNSFGMTETCSQFLTATPEMLHARPDTVG-----MPSANVDVKIKN---PNKEGHGELMIKGANVMNGYLYPTDLTGTF--ENGYFNTGDIAEIDHEGYVMIYDRRKDLIISGGENIYPYQIETVAKQFPGISDAVCVGHPDDTWGQVPKLYFVSES--DISKAQLIAYLSKHLAKYKVPKHFEK-VDTLPYTSTGKLQRNKLYRG |
| 2D1R Chain:A ((53-532)) | ------------------------YSYAEYLEKSCCLGKALQNYGLVVDGRIALCSENCEEFFIPVIAGLFIGVGVAPTNEIYTLRELVHSLGISKPTIVFSSKK---------GLDKVITVQKTVTTIKTIVILDSKVDYRGYQCLDTFIKRNTPPGFQASSFKTVEVDRKEQVALIMNSSGSTGLPKGVQLTHENIVTRFSHARDPIYGNQVSPG----TAVLTVVPFHHGFGMFTTLGYLICGFRVVMLTKFDEETFLKTLQDYKCTSVILVPTLFAILNKSELLNKYDLSNLVEIASGGAPLSKEVGEAVARRFNLPGVRQGYGLTETTSAIII-TPEG-DDKPGASGKVVPLFKAKVIDLDTKKSLGPNR--RGEVCVKGPMLMKGYVNNPEATKELIDEEGWLHTGDIGYYDEEKHFFIVDRLKSLIKYKGYQVPPAELESVLLQHPSIFDAGVAGVPDPVAGELPGAVVVLESGKNMTEKEVMDYVASQVSNAKRLRGGVRFVDEVPKGLTGKI-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D1R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -252424 for 3670 contacts (-68.8/contact) +
2D Compatibility (PS) -47352 + (NN) -15302 + (LL) 3408
1D Compatibility (HY) -26400 + (ID) 6900
Total energy: -344970.0 ( -94.00 by residue)
QMean score : 0.401
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