Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSKLMDKYGITEDSSIDLIKASIASFWKNVVYMFPITLILFFLMNISNSKYLQEWFYFVSILIVFVVMYYFTNRQYIKSYSTTFKGSKNLRIELVEIIKRLPLSYFSTHDLTDLSQTVMADVSKIEQALSHAICAYYGWIGYFVFLSLSLLIGSLQLGLCIIVPVITALLILYLSKNIQYRINRKYYKKLRENSQAFQDSFEMQQDIKSYNMQHTVRKDVQDKLKDSEKIQIKTELFTTIPSSLLSILPQFSIALVIIFGFQLYLTGQIQLIFYIGYIICATKVASGFTGMLDSLLMIINFQSSF---KQVTAIRKTPLQEGVNADIQTFNVEFRDVSFAYEKGRNVVSNLSFNANQGEVTAIVGPSGCGKSTILKLLSRLYDYNAGQILIGGKDISEISTNSLFENISTVFQDVELFDDTIFENIKCGNPKATIEEVLEAAKIANVDEIADKFVDKYDTKIGENGSKLSGGERQRISIARAILKDAPIILLDEISASLDIENEIKIQAGLDKLIKNKTVIIVSHRMKSIENANKIIVIENGKVENFGTHSYLLENSTRYRKLVECSQLASEYEY |
3NHB Chain:A ((21-292)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MFIDMENMFDLLKEETEVKDLPGAGPLR--FQKGRIEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQGQ----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -139845 for 2103 contacts (-66.5/contact) +
2D Compatibility (PS) -28704 + (NN) -6878 + (LL) 26920
1D Compatibility (HY) -19600 + (ID) 5650
Total energy: -173757.0 ( -82.62 by residue)
QMean score : 0.478
|
|
|