Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQQHSSKTAYVYSDKLLQYRFHDQHPFNQMRLKLTTELLLNANLLSPEQIVQPRIATGDELMLIHKYDYVEAIKHASHGIISEDEAKKYGLNDEEN-----GQFKHMHRHSATIVGGALTLADLIMSGKVLNGCHLGGGLHHAQPGRASGFCIYNDIAITAQYIAKEYNQRVLIIDTDAHHGDGTQWSFYADNHVTTYSIHETGKFLFPGSGHYTERGEDIGYGHTVNVPLEPYTEDASFLECFKLTVEPVVKSFKPDIILSVNGVDIHYRDPLTHLNCTLHSLYEIPYFVKYLADSYTNGKVIMFGGGGYNIWRVVPRAWSHVFLSLIDQPIQSGYLPLEWINKWKHYSSEL-----LPKRWEDRLNDYTYVPRTKEISEKNKKLALHIASWYESTRQ |
4A69 Chain:A ((2-370)) | ----AKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAI----NWAGGLHHAKKFEASGFCYVNDIVIGILELLK-YHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSF-----NIPLLVLGGGGYTV-RNVARCWTYETSLLVEEAISE---ELPYSEYFEYFAPDFTLHPDVSTRIENQ-NSRQYLDQIRQTIFENLKMLN----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A69.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164577 for 3252 contacts (-50.6/contact) +
2D Compatibility (PS) -37833 + (NN) -10759 + (LL) 2148
1D Compatibility (HY) -25200 + (ID) 5350
Total energy: -241571.0 ( -74.28 by residue)
QMean score : 0.466
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