Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYPLGEALLALYRWRGPLINAGVGGHGYTYLLGAEANRFVF-ANADAFSWSQTFESLVPVDGPTALIVSDGADHRRRRSVVAPGLRHHHVQRYVATMVSNIDTVIDGWQPGQRLDIYQELRSAVRRSTAESLFGQRLAVHSDFLGEQLQPLLDLTRRPPQVMRLQQRVNSPGWRRAMAARKRIDDLIDAQIADARTAPRPDDH----MLTTLISGCSEEGT-TLSDNEIRDSIVSLITAGYETTSGALAWAIYALLTVPGTWESAASEVARVLG-GRVPAADDLSALTYLNGVVHETLRLYSPGVISARRVLRDLWFDGHRIRAGRLLIFSAYVTHRLPEIWPEPTEFRPLRWD-PNAADYRKPAPHEFIPFSGGLHRCIGAVMATTEMTVILARLVARAMLQLPAQRTHRIRAANFAALRPWPGLTVEIRKSAPAQ |
1E9X Chain:A ((45-419)) | -----------------------LAGKQVVLLSGSHANEFFFRAGDDDLDQAKAYPFMTPIFGEG--VVFDASPERRKEMLHNAALRGEQMKGHAATIEDQVRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLD--GRFAKLYHELERGTDPLAYVDPYLPIESFRRRDEARNGLVALV-ADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPRFSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHALRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFPDPHDFVPARYEQPRQEDLLNRWT--WIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEM--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198996 for 2952 contacts (-67.4/contact) +
2D Compatibility (PS) -38966 + (NN) -17825 + (LL) 4756
1D Compatibility (HY) -23200 + (ID) 5050
Total energy: -279281.0 ( -94.61 by residue)
QMean score : 0.395
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