Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPA------VCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQR---WEVAR-----RAKLHGRAP-RRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGL-----PRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITG-------RERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC |
4U14 Chain:A ((16-443)) | -----------------------------------AFLTGFLALVTII--GNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFT-TYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKMNCFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRN------AKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRMLQQK------------RWDEAAVNLAK------SRWYNQCPNRAKRVITTFRTGTWDAYLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSC-IPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4U14.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164830 for 2962 contacts (-55.6/contact) +
2D Compatibility (PS) -40068 + (NN) 1455 + (LL) 872
1D Compatibility (HY) -34000 + (ID) 5200
Total energy: -241771.0 ( -81.62 by residue)
QMean score : 0.225
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