Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFYSAYQHGFVRVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSIEDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRHRHRIYNTAVVIHRGAVLGVVPKSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEICEDMFVPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTTDLAWDGQTMIWENGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELTESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDYPKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPGFATGEHTKNNAIKLARALGVTFSEIDIGDTARLMLHTIGHPYSVGEKVYDVTFENVQAGLRTDYLFRIANQRGGIVLGTGDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGEFGEKVGEVLQSVLDTEITPELIPTGEEELQSSEAKVG-PFALQDFSLFQVLRYGFRPSKIAFLAWHAWNDAERGNWPPGFPKSERPSYSLAEIRHWLQIFVQRFYSFSQFKRSALPNGPKVSHGGALSPRGDWRAPSDMSARIWLDQIDREVPKG |
3P52 Chain:A ((5-248)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DWQKITEKMCDFIQEKVKNSQSQGVVLGLSGGIDSALVATLCKRALK------ENVFALLMPTQISNKANLEDALRLCADLNLEYKIIEIQSILDAFIKQSE-------NTTLVSLGNFAARIRMSLLYDYSALKNSLVIGTSNKSELLLGYGTIY-GDLACAFNPIGSLYKSEIYALAKYLN-----------LHENFIKK----------------------FSYTKIDEGLKALETNDE---KLLR----T--------------------LD----PSLIAMLKNRMQ-KNAFKGK-MPEILE----------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3P52.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134215 for 1695 contacts (-79.2/contact) +
2D Compatibility (PS) -24817 + (NN) -12548 + (LL) 27444
1D Compatibility (HY) -12400 + (ID) 2200
Total energy: -158736.0 ( -93.65 by residue)
QMean score : 0.492
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