Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQKTLLIITDGIGYRKDSDHNAFFHAKKPTYDLMFKTLPYSLIDTHGLSVGLPKGQMGNSEVGHMCIGAGRVLYQDLVRISLSLQNDELKNNPAFLNTIQK----SHVVHLMGLMSDGGVHSHIEHFIALALECEKSH-KKVCLHLITDGRDVAPKSALTYLKQMQNICNE--NIQIATISGRFYAMDRDNRFERIELAYNSLMGLNHT-PLSPSEYIQSQYDKNITDEFIIPACFKNYC----G-MQDDESFIFINFRNDRAREIVSALGQKEFNSFKRQA--FKKLHIATMTPYDNSFPYPVLFPKESVQNTLAEVVSQHNLTQSHIAETEKYAHVTFFINGGVETPFKNENRVLIQSPKVTTYDLKPEMSAKGVTLAVLEQMRLG-TDLIIVNFANGDMVGHTGNFEASIKAVEAVDACLGEILSLAKELDYAMLLTSDHGNCERMKDENQNPLTNHTAGSVYCFVLGNGVKSIK-NGALNNIASSVLKLMGIKAPATMDEPLF |
1O98 Chain:A ((3-508)) | -KKPVALIILDGFALRDETYGNAVAQANKPNFDRYWNEYPHTTLKACGEAVGLPEGQMGNSEVGHLNIGAGRIVYQSLTRINIAIREGEFDRNETFLAAMNHVKQHGTSLHLFGLLSDGGVHSHIHHLYALLRLAAKEGVKRVYIHGFLDGRDVGPQTAPQYIKELQEKIKEYGVGEIATLSGRYYSMDRDKRWDRVEKAYRAMVYGEGPTYRDPLECIEDSYKHGIYDEFVLPSVIVREDGRPVATIQDNDAIIFYNFRPDRAIQISNTFTNEDFREFDRGPKHPKHLFFVCLTHFSETVAGYVAFKPTNLDNTIGEVLSQHGLRQLRIAETEKYPHVTFFMSGGREEEFPGEDRILINSPKVPTYDLKPEMSAYEVTDALLKEIEADKYDAIILNYANPDMVGHSGKLEPTIKAVEAVDECLGKVVDAILAKGGIAIITADHGNADEVLTPDGKPQTAHTTNPVPVIVTKKGIK-LRDGGILGDLAPTMLDLLGLPQPKEMTGKSL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1O98.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -324405 for 4595 contacts (-70.6/contact) +
2D Compatibility (PS) -52535 + (NN) -20857 + (LL) 180
1D Compatibility (HY) -40400 + (ID) 10450
Total energy: -448467.0 ( -97.60 by residue)
QMean score : 0.508
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