Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAE---HPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAM--AGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESG-QLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
2C6H Chain:A ((40-424)) | -------LGQDFAADPYPTYARLRAEG---PAHRVRTPEGDEVWLVVGYDRARAVLADPRFSKDWRNST--------TPLTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVFPDDPAQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIR--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C6H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225026 for 3132 contacts (-71.8/contact) +
2D Compatibility (PS) -41067 + (NN) -21965 + (LL) 2084
1D Compatibility (HY) -32400 + (ID) 8550
Total energy: -326924.0 ( -104.38 by residue)
QMean score : 0.595
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