Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAFEELLSQVGGLGRFQMLHLVFILPSLMLLIPHILLENFAAAIPGHRCWVHMLDNNTGSGNETGILSEDALLRISIPLDSNLRPEKCRRFVHPQWQLLHLNGTIHSTSEADTEPCVDGWV--YDQSYFPSTIVTKWDLVCDYQSLKSVVQFLLLTGMLVGGIIG----GHVSDRFGRR---FILRWCLLQLAITDTCAAFAPTFPVYCVLRFLAGFSSMIIISNNSLPITEWIRPNS-KALVVILSSGALSIGQII--LGGLAYVFRD---WQTLHVVASVPFFVFFLLSRWLVESARWLIIT-NKLDEGLKALRKVARTNGIKNAEETLNIEVVRSTMQEELDAAQTKTTVCDLFRNPSMRKRICILVFLRFA------NTIPFYGTMVNLQHVGSNIFLLQVLYGAVALIVRCLALLTLNHMGRRISQILFMFLVGLSILANTFVPKEMQTLRVALACLGIGCSAATFSSVAVHFIELIPTVLRARASGIDLTASRIGAALAPLLMTLTVFFTTLPWIIYGIFPIIGGLIVFLLPETKNLPLPDTIKDVENQKKNLKEKA |
4PYP Chain:A ((25-346)) | ------------------------------------------------------------------------------------------------QFGYNTGVINAPQKVIEEFYTQTWVHRYGESILPTTLTTLWSL--------SVAIFS------VGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGE-VSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMK-EESRQMMREK------KVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRT-----LHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148856 for 2135 contacts (-69.7/contact) +
2D Compatibility (PS) -30164 + (NN) -1801 + (LL) 10476
1D Compatibility (HY) -24800 + (ID) 3950
Total energy: -199095.0 ( -93.25 by residue)
QMean score : 0.220
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