Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------MTDRKNLTTNQGVPVGDNQNSMTAGRKGPTLIEDYVLIEKLAHFDRERVPERVVHARGAGAHGKFVTKKSMKKYTMAKFLQEEGTETEVFARFSTVIHGQHSPETLRDPRGFSVKFYTEEGNYDFVGNNLPVFFIRDAIKFPDVIHSLKPDPRTNIQDG---NRYWDFFSLTPEATTMIMYLFSDEGTPASYREVRGSSVHAFKWINEEGKTVYVKLRWVPKAGIVNLSTEQASQIQAKEFNHASRDLYEAIENGDYPEWDLYVQVLDPKDLDSFDFNPLDATKDWFEDVFPYEHVGTMTLDRNPDNIFAETESVGFNPGVLVRGMLPSEDRLLQGRLFSYSDTQRHRVGPNYLQLPINSPK-APVANNQRDGHMPFKQ-QTSSINYEPNSY------DTEPKENPAFIEPEQEIRGDISGRLIAEKPNNFGHAKEVWDR-YSNAERAALVKNIVDDWSQVR-EDIKIRNLRNFYQVDPEFASRVAAGTGINLEEHVTDLK |
8CAT Chain:A ((3-500)) | NRDPASDQMKHWKEQRAAQKP---DVLTTGGGNPVGDKLNSLTVGPRGPLLVQDVVFTDEMAHFDRERIPERVVHAKGAGAFGYFEVTHDITRYSKAKVFEHIGKRTPIAVRFSTVAGESGSADTVRDPRGFAVKFYTEDGNWDLVGNNTPIFFIRDALLFPSFIHSQKRNPQTHL---KDPDMVWDFWSLRPESLHQVSFLFSDRGIPDGHRHMDGYGSHTFKLVNADGEAVYCKFHYKTDQGIKNLSVEDAARLAHEDPDYGLRDLFNAIATGNYPSWTLYIQVMTFSEAEIFPFNPFDLTKVWPHGDYPLIPVGKLVLNRNPVNYFAEVEQLAFDPSNMPPGIEPSPDKMLQGRLFAYPDTHRHRLGPNYLQIPVNCPYRARVANYQRDGPMCMMDNQGGAPNYYPNS-FSAPEHQPSA------LEHRTHFSGDVQRFNSAND-DNVTQVRTFYLKVLNEEQRKRLCENIAGHLKDA-QLFIQKKAVKNFSDVHPEYGSRIQALLDKYN-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 8CAT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55430 for 3566 contacts (-15.5/contact) +
2D Compatibility (PS) -48864 + (NN) -17663 + (LL) 884
1D Compatibility (HY) -33600 + (ID) 10300
Total energy: -164973.0 ( -46.26 by residue)
QMean score : 0.422
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