Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERSSDEDLSHQDPSLFIESREQGGTRGVYRSSDQQAVSEESHRERDRIHEHVSRGDGVSARADARANSNGASSPASRMENGARSEEKGDNPSDERGIPQTPQSPSHQQNSSRDLGLSLSREQPGQTGRLRLFDHGQMGSLFPTDHENQRKRSDNELDRRSDKANENGDKSPRQNGSANQESARSERYGIAQGSSNQSVLLPAQSRLHHAGLSAQNGLRDLEENRDQEGRLLSNLDNLESLLNAIRNNTIASEPDFRSRLLEAIQNNDPLKDSIVGAQLLKDPTTKIFYDKFQLKISPKKVLEILENRLKKSIETTNETLNAFNVLDSQAIDLNAISNSVGLNPTQESKITDNSVELNNAQEQTAQEQTTQEQTTQEQTTQEQTTQEQTTQEQTTQEQTTQEQDTQENAPTTIKQETPITPAIPLNPKIDFKPSEEVLIKGAKTRYKANIKAIELLKELQAKQEILKGDYYATLKEQEILAQFSGWGGLESYFKKAQHPEEFKELNALLTKDEFRRAYLSARDAYYTPKLVIDSIYQGLDQLGFNNDNHPKEIFEPSLGTGKFIAHAPSDK----------------NYRFIGTELDPISANLSKFLY------PNQVIQNTALENYQ--FYQEYDAFVGNPPYGNHKIYSSNDK--------------ELSNESIHNYFLGKAIKELKDDGIGAFVVSSWFMDAK---NPKMREHIAKNATFLGAIRLPNSVFKATGAEVTSDIVFFKKGVEKATNQSFTKAMPYYDKILNSLDDDTLFALQNNRFDSFIPSDQLKIVNAVANHFGFKQEKLQRWYEKIDTANFGYSTQDYKIIKDFIDKVGKNSINLNEQTLNEYFIHHPENILGHLSLEKTRYRFETNGEQIYKYDLQALEDESLDLSQALKQAIEKLPKDVYQYHKTTLKTDVLIIDSSNERYQEVQKLIKNLERRELVKWDNLYFQLEQNNEMGIFLKPTKINSKVQDSRLKAYFKIKDALNDLTSAELNPLSSDLELENKRAKLNLVYDEFVKKFGYLNENKNRKDIRQDLYGAKVLGLEKDFEKEITPRSAKMQNIEPRQAQAKKAQIFFERTLNPKKELIITNAKEALIASINQKGGLDLHFIRDHFTTQSLETTIKELLEQKLIYKDHKDNGGYILANDYLSGNVKRKLKEVKEAINQGVEGLEANVKDLELIIPKDLKATEIMANINSPWIPTQYLEEFLMELSANHYEKQYGDKMTDYQLSNLKEDIKIEHLSGAYEVFVRNNELNELYGIRHKDKPHSYKVPFESLLNKVLNNKDLSVKYAQVDPNDPKKEIFITDEEQSNLARQKAEELKEAFKDWIYKDYSRRTHLEQIYNDTFNNSVLKTYDGSQLELEGFNYHISLRPHQKNAIFRTIQDRAVCLDHQVGAGKTLCAIASCMEQKRMGLVNKTLIAVPNHLTKQWGDEFYKAYPNANVLVVDSKDTTEKERELLFNQIANNNYDAVVIAHTHLELLSNPRGIIEELKEEELVNAEKNFERQELAYKNNPRETKKPNERAFKNKLDKIRAKYDAILEKQGSHIDISQMGIDNLIVDEAHLFKNLAFETSMEKIAGLGNQQGSNRARDLFIKTRYLHQNDKKIMFLTGTPIANSLSEMYHLQRYLTPDVLKERGLEFFDDWAKTYGEVVNDFELDTSAQSYKMVNRFSKFSDVQGLSTMYRAFADIVSNDDILKHNPHFVPKVYGDKPINVVVKRSEEVAQFIGVALENGKYNEGSIIDRMQKCEGKKSQKGQDNILSCTTDARKVALDYRLIDPNAKVEKEFSKSYAMAKNIYENYLETHATKGTQLGFIGLSTPKTHSQKVSLEALDNAHETENKNPLDKAQELLESLSSYDEKGNLIAPSKKELENELKEKEAKSVNLDEEIAKGCSFDVYSDVLRHLVQMGIPQNEIAFIHDAKTEEQKQDLFKKLNRGGVRVLLGSPAKMGVGTNVQERLVAMHELDCPWRPDELLQMEGRGIRQGNILHQNDPENFRMKIYRYATEKTYDSRMWQIIETKSKGIEQFRNAHKLGLNELEDFNMGSSNASEMKAEATGNPLIIEEVKLRAEIKSEESKYKAFNKEHYFNEESLKNNASKLDYLKQELKDLETLQRSVIIPTHTEIKLYDLKNEESKDYELIKVKEVEPLKENASMSEELTHKKLKEQNKQIAEQNKEKLDAIKKQFASNLNTLFVNEEEDYKLLEYKGFVVNAYKTKYQVEFSLSPKDIPNIAYSLAIWFIKTILSTCLALIISALRSSLMGF |
3KHK Chain:A ((220-448)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EGKQGGQYYTPKSIVTLIVEMLEPY-------KGRVYDPAMGSGGFFVSSDKFIEKHANVKHYNASEQKKQISVYGQESNPTTWKLAAMNMVIRGIDFNFGKKNADSFLDDQHPDLRADFVMTNPPFNMKDWWHEKLADDPRWTINTNKRILTPPTGNANFAWMLHMLYHLAPTGSMALLLANGSMSSNTNNEGEIRKTLVEQDLVECMVALPGQLFTN--TQIPACIWFLTKDKNAKNGKRDRRGQVLFIDARKLGYMKDRVLRDFKDEDIQKLADTFHNWQQEWSEENNQAGFCFSADLALIRKNDFVLTPGRYVG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KHK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -39614 for 1491 contacts (-26.6/contact) +
2D Compatibility (PS) -19348 + (NN) -5439 + (LL) 126292
1D Compatibility (HY) -9200 + (ID) 1600
Total energy: 51091.0 ( 34.27 by residue)
QMean score : 0.345
|
|
|