Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKINTALGVAAGKSAHYLLSKMGRGSTYPGSLALKFDKDILDTIAKDYEIVVVTGTNGKTLTTALTVGILKEAFGQVVTNPSGANMITGIVST-FLTAKKSKSGKKIAVLEIDEASLPRITQYIKPSLFVFTNIFRDQMDRYGEIYTTYQMILDGAANA-PQATILANGDSPLFNSKSV--TNPVQFYGFDTDKHEPRLAHYNTEGILCPKCQAILTYRLNTYANLGDYTCPNCDFERPNLDYALTRLTHLTNTSSGFVIDGQ-QYNINVGGLYNIYNALAAVSVAEYFGVEPSQIKDGFDKSRAVFGRQETFTIGNKKCTLVLI--KNPVGASQALDMIKLAPYPFSLSVLLNANYADGIDTSWIWDANFETILTMNIPEIFAGGVRHSEIARRLRVTGYDEKRIKQADKLQDIM-AMIEQ-QETEHAYILATYTAMLEFREILANHNAIRKEMN |
3LK7 Chain:A ((112-444)) | -----------------------------------------------SQLIGITGSNGKTTTTTMIAEVLNAGG-QRGL--LAGN--IGFPASEVVQAA---NDKDTLVMELSSFQLM-GVKEFRPHIAVITNLMPTHLDYHGSFEDYVAAKWNIQNQMSSSDFLVLNFNQGISKELAKTTKATIVPFSTTEKVDG----------AYVQ----------------------DK-------QLFYK-------GE-----NIMSVDDIGVPGSHNVENALATIAVAKLAGISNQVIRETLSNFGGVKHRLQSLGKVHGISFYNDSKSTNILATQKALSGFD----NTKVILIAGGL-DRGNE----FDELIPDIT--GLKHMVVLGESASRVKRAAQKAGVT---YSDALDVRDAVHKAYEVAQQGDVILLSPANASWDMYKNFEVRGDEFIDTFE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LK7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168474 for 2811 contacts (-59.9/contact) +
2D Compatibility (PS) -33616 + (NN) -825 + (LL) 6824
1D Compatibility (HY) -8800 + (ID) 2600
Total energy: -207491.0 ( -73.81 by residue)
QMean score : 0.440
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