Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALTLGLIGNPNSGKTTLFNQLTGSRQRVGNWAGVTVERKEGAFHTVRHAVRLVDLPGTYSLTSVSAQASLDEQIACRYIASGEVDVLVNVVDAANLERNLYLTVQLREMGIPCIVALNMLDIARSQRIRIDIDGLARRLGCPVVPLVSTRADGIDE-LKAAIDSLQLPQAALAVDYPPAIQAQVGYLLETRAPAASAIEPRWLALQALEGDIFNGPALGLPPATLEQARRGCGEEPELAIVDARYRLIGEICAAVCDHQQAQPHRLTQWLDRVVLNRWLGLPIFLLVMYLMFFFAINIGGALQPIFDKGSSAIFIDGIQWLGIRFGLPDWLTVFLAQGIGGGVNTVLPLVPQIGLMYLFLSLLEDSGYMARAAFVMDRLMQALGLPGKSFVPLIVGFGCNVPSIMGARTLDAQRERLITIMMAPFMSCGARLAIFAVFAGAFFGQGGALVIFSLYLLGIVVAILTGLLLKHTLMRGEASPFVMELPLYHVPHLKSLLLQTWSRLRGFVVRAGKVIILVSLVIGGLNSITLDGKPVQGDIGHSALASVSQRLTPLLAPLGVQPDNWQATVGLVTGAMAKEVVVGTLNTLYTAEQIQGEAFDYEGYDLPGQLREALVETWDGLVDTFSLSVLANPVEASMADGDMETGSMGTMASKFGSPIAAYSYLVFVLLYVPCVTAMGAIARESSKGWMAFSVLWGLNVAYSLATLCYQVATFAAHPERSVLTIAVVLLFNLILMTCLRLFGREQVLQLPGRMADAPSGQGGCH |
3W5J Chain:A ((6-171)) | -----IALLGMPNTGKSTLFNRMTGGAARVGNWPGITVELLSGKILLGADMVEIIDLPGIYDLHGFSD----DEQVVRHFLHDNVPDLALVILNATQIERQMSLLLQLKQLNMNIVVLLNMSDEAKQYGITIDSRKMSELLQIPVFQLS----TGYQEALQAVTRALRYPTPGMA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3W5J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118292 for 1181 contacts (-100.2/contact) +
2D Compatibility (PS) -17097 + (NN) -3459 + (LL) 46268
1D Compatibility (HY) -16000 + (ID) 3000
Total energy: -111580.0 ( -94.48 by residue)
QMean score : 0.479
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