Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHCQSPGVAELSQRCGWSPAEELNYTVPGLGPAGEAFLGQCRRYEVDWNQSALSCVDPLASLATNRSHLPLGPCQDGWVYDTPGSSIVTEFNLVCADSWKLDLFQSCLNAGFLFGSLGVGYFADRFGRKLCLLGTVLVNAVSGVLMAFS-------------PNYMS-----MLLFRLLQGLVSKGNWMAGYTLITEFVGSGSRRTVAIMYQMAFTVG---------LVALTGLAYAL--PHWRWLQLAVSLPTFLFLLYYWCVPESPRWLLSQKRNTEAIKIMDHIAQKNGKLPPADLKMLSLEEDVTEKLSPSFADLFRTPRLRKRTFILMYLWFTDSVLYQGLILHMGATSGNLYLDFLYSALVEIPGAFIALITIDRVGRIYPMAMSNLLAGAACLVMIFISPDLHWLNIIIMCVGRMGITIAIQMICLVNAELYPTFVRNLGVMVCSSLCDIGGIITPFIVFRLREVWQALPLILFAVLGLLAAGVTLLLPETKGVALPETMKDAENLGRKAKPKENTIYLKVQTSEPSGT |
4JA3 Chain:A ((72-243)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------GALG-GYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQEIKHSLDHGRGVIVIGVMLSIFQQFVGINVVLYYAPEVSTDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEALAIAVAAQWLANYFVSWTFPMMDKNSHNGFSYWIYGCMGVLAALFMWKFVPE----------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JA3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72610 for 953 contacts (-76.2/contact) +
2D Compatibility (PS) -15224 + (NN) -8377 + (LL) 13612
1D Compatibility (HY) -12400 + (ID) 2350
Total energy: -97349.0 ( -102.15 by residue)
QMean score : 0.163
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