Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGGNSGVRKREEEGDGAGAVAAPPAIDFPAEGPDPEYDESDVPAEIQVLKEPLQQPTFPFAVANQLLLVSLLEHLSHVHEPNPLRSRQVFKLLCQTFIKMGLLSSFTCSDEFSSLRLHHNRAITHLMRSAKERVRQDPCEDISRIQKIRSREVALEAQTSRYLNEFEELAILGKGGYGRVYKVRNKLDGQYYAIKKILIKGATKTVCMKVLREVKVLAGLQHPNIVGYHTAWIEHVHVIQPRADRAAIELPSLEVLSDQEEDREQCGVKNDESSSSSIIFAEPTPEKEKRFGESDTENQNNKSVKYTTNLVIRESGELESTLELQENGLAGLSASSIVEQQLPLRRNSHLEESFTSTEESSEENVNFLGQTEAQYHLMLHIQMQLCEL-SLWDWIVERNKRGREYVDESACPYVMANVATKIFQELVEGVFYIHNMGIVHRDLKPRNIFLHGPDQQVKIGDFGLACTDILQKNTDWTNRNGKRTPTHTSRVGTCLYASPEQLEGSEYDAKSDMYSLGVVLLELFQPFGTEMERAEVLTGLRTGQLPESLRKRCPVQAKYIQHLTRRNSSQRPSAIQLLQSELFQNSGNVNLTLQMKIIEQEKEIAELKKQLNLLSQDKGVRDDGKDGGVG |
2A19 Chain:B ((7-268)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------KRFGMDFKEIELIGSGGFGQVFKAKHRIDGKTYVIKRVKYNN------EKAEREVKALAKLDHVNIVHYNGCWDGFDYD--------------------------------------------------------------------------------------------------------------------RSK------------------TKCLFIQMEFCDKGTLEQWIEKRRGE-----------KLDKVLALELFEQITKGVDYIHSKKLINRDLKPSNIFLV-DTKQVKIGDFGLVTS--LKN-----------DGKRTRSKGTLRYMSPEQISSQDYGKEVDLYALGLILAELLHVCDTAFETSKFFTDLRDGIISDIFDK---KEKTLLQKLLSKKPEDRPNTSEILRTLTVWKK-------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A19.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132689 for 1912 contacts (-69.4/contact) +
2D Compatibility (PS) -26783 + (NN) -8964 + (LL) 22724
1D Compatibility (HY) -18400 + (ID) 4600
Total energy: -168712.0 ( -88.24 by residue)
QMean score : 0.435
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