Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MILTAMQDAIGRTPIFKFTRKDYPIPL----KSAIYAKLEHLNPGGSVKDRLGQYLIKEAFRTRKITSTTTIIEPTAGNTGIALALVAIKHHLKTIFVVPKKFSTEKQQIMRALGALVINTPTSEGISGAIKKSKELAESIPDSYLP-LQFENPDNPAAYYHTLAPEIVQELGTNLTSFVAGIGSGGTFAGMAKYLKERIPNIRLIGVEPEGS-ILNGGEPGPHEIEGIGVEFIPPFFANLDIDRFETISDEEGFSYTRKLAKKNGLLVGSSSGAAFAAALKEVQRL-PEGSQVLTIFPDMADRYLSKGIYS |
2PQM Chain:A ((13-320)) | -IYHNILETIGGTPLVELHGV--TEHPRIKKGTRILVKLEYFNPMSSVKDRVGFNIVYQAIKDGRLKPGMEIIESTSGNTGIALCQAGAVFGYRVNIAMPSTMSVERQMIMKAFGAELILTEGKKGMPGAIEEVNKMIKENPGKYFVANQFGNPDNT-AAHHYTANEIWEDTDGEVDIVVSAVGTSGTVIGVAEKLKEKKKGIKIIAVEPEESAVLEGKAKGPHGIQGIGAGFIPDIYKKEFVDEIIPIKTQDAWKMARAVVKYDGIMCGMSSGAAILAGLKEAEKPENEGKTIVIIVPSCGERYLSTDLYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PQM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99333 for 2724 contacts (-36.5/contact) +
2D Compatibility (PS) -32683 + (NN) -11406 + (LL) 368
1D Compatibility (HY) -22400 + (ID) 5450
Total energy: -170904.0 ( -62.74 by residue)
QMean score : 0.515
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