Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDSPQNPGPSSLKIYFRLLGYVKPYIGMFLLSIVGFLIFASTQPMLAGILKYFVDGLSNPDAALFPNVQWPWLRDLHLVYAVPLLIILIAAWQGLGSFLGNFFLAKVSLGLVHDLRVALFNKLLVLPNRYFDTHSSGHLISRITFNVTMVTGAATDAIKVVIREGLTVVFLFLYLLWMNWKLTLVMLAILPVIAVMVTTASRKFRKQSKKIQVAMGDVTHVASETIQGYRVVRSFGGEAYEEKRFLDASQSNTDKQLRMTKTGAVYTPMLQLVIYVAMAILMFLVLWLRGDASAGDLVAYITAAGLLPKPIRQLSEVSSTVQRGVAGAESIFEQLDEAAEEDQGT--VEKERVSGRLEVRNLSFRYPGTDKQVLDDISFIAEPGQMIALVGRSGSGKSTLANLVPRFYQHNDGKILLDGVEVEDYRLRNLRRHIALVTQQVTLFNDSVANNIAYGDLAGAPREEIERAAKAANAKEFIDNLPQGFDTEVGENGVLLSGGQRQRLAIARALLKDAPLLILDEATSALDTESERHIQAALDEVMKGRTTLVIAHRLSTIEKADLILVMDQGQIVERGSHAELLAQNGHYARLHAMGLDEQAPAPVG |
3NH6 Chain:A ((19-292)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SHMFIDMENMFDLLKEETEVKDLPGAGPLRFQKGRIEFENVHFSYADG-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVT-AGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQGQ------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NH6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129276 for 2069 contacts (-62.5/contact) +
2D Compatibility (PS) -30116 + (NN) -13885 + (LL) 27012
1D Compatibility (HY) -22800 + (ID) 6100
Total energy: -175165.0 ( -84.66 by residue)
QMean score : 0.565
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