Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLRPASPRNEILATLGRFRPALRSVALFTAVINLLMLAPSLYMLQVYDRVLGSGNHMTLLMLTLMVLGLYLLLGALEWVRSLVVIRLGGQLDMQLNQRIYDASFRASLERGEQAAGQALNDLTSLRQFLTGNALFAFFDAPWFPLYLLVIFLFSPWLGLLALAGALLLVLLAWVNESRSREPLAEAGQLSILATQQASANLRQAETLAAMGMLPAMRARWFAQHQAFLARQNLGSERSAAIGATSKGVRLALQSLVLGLGAWLAVDGLITPGMMIAGSILMGRVLSPIDQLIAVWRQWSGARQAYQRLARLLEENPPAALGMPLPAPRGALRVERLCAAAPGREQALLQDLGFALEPGEALGVIGPSGSGKSTLARLLVGAWQPLSGAVRLDGADLRQWSAAALGPHIGYLAQDVQLFAGSIAENI--ARFAEVDAEKVVAAARLAGVHDLVLRLPQGYDTRLGDGGAGLSGGQRQRIGLARALYGRPALIVLDEPNASLDEAGEAALAEAIAAMRRQGSSLVLVTHKPAVLALTDKLLLLHGGRLQRFGATAEVLASASPPAAAAPAPAPAPTRPTPAFGFGYRPGPGMPVGGVPGGAAR |
2BBT Chain:B ((53-247)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSG-------------RISFCSQNSWIMPGTIKENIIGVSYDEYRYRSVIKACQL---EEDISKFAEKDNIVLG---ITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSEL---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BBT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127648 for 1422 contacts (-89.8/contact) +
2D Compatibility (PS) -20363 + (NN) -9977 + (LL) 30800
1D Compatibility (HY) -15200 + (ID) 3150
Total energy: -145538.0 ( -102.35 by residue)
QMean score : 0.430
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