Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQVKTPTINPKFEKKNNLALIESIDLDFIPYACHYDEETILTKQGELLKIIKLEDYSSADNYSDLRTEIRKSISKNIDSLYFTVWIHTVRKRNKLSLKWNKTGDFSDKLHSTWLDKLTNSKLRYINELYIVILVSDFNKHSNNSFFFGGIRNKHKLSLQENHQELQRVTDLIQSDLEPFGAKKLALRFNGDKVYSEMIEFLHYIVTLTHKDHPICERDLSQYIKNLKIAFGFNTFQTIFENQQKFGSVFCIKEYREIPLGNIDRCLQLDSELIITEIIIFTSNNKAMKEFKKQINMLQVSEDNTLLRNSEIKEIIELEGTSTIDFCQQKIIFTIFADDRNRLAENISSLSSVMSLIGLMMFRTDLHMENHFWAQLPGNFAFVTQPKNILAKYACSFAMLHDFTSGTLKGGRWKEAVTVFFSKKGSPYFFNFHGKKNNGHTTILGAPNSGRTSLINFLLSESRKFNPRIIILDNTGKSIIFTKAVSGKYYIIDPKYKNKSLKFNPLNIEDSASNRSMLVELIKRMVADTSLVGIKEKIKKVVDSIFAIPRESRSISRISEMLLLLKGKISKWCGDGEFAYLFQDSDESDIDWKIKTISLNTANLTKHKECMSVILYYFLYSFEAQCDGSPAILVLDEAWEISSIFPTEEGFDNWMQRMTELNVVVILSTENLNLAFASEFTQYLDKHVDTRILMPNFNANRL------YMKAFSLSKEELNIILQTPTQEGLFLIKQYKGLVTLN---LDLKNIQEIHVLSANRETIKY-MYEAIKEKGEEVNKWLPVFYGKCKT |
2CV8 Chain:A ((6-101)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKDKILIKNIEDARLIYKMGYYGKPIG-------SELILSLIEGVYLVKKGKLEIVSNGERLDFERLYQIGVTQIPRFRILYSVYEDLREKGYVVRSGIKYGADFAVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CV8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -17900 for 486 contacts (-36.8/contact) +
2D Compatibility (PS) -8064 + (NN) -2887 + (LL) 49496
1D Compatibility (HY) -6800 + (ID) 1350
Total energy: 12495.0 ( 25.71 by residue)
QMean score : 0.256
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