Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -----------MAPIFPAAPPGSTGSRAVRCRSTERGGPDMELLN---ATPLAAAYNQGLDAEGRESLVVIAKGSFDLPLDGREARLLDEQQTLLMVDEFYGE--PGFSAPRRECEFVP-------------------FKPFCDVLVLGSAQAPGGRPVQQLTAGIRVGRVSKALTVHGPRQWEPGLLGAG----------------AGVAQPFQSQ-------DISYASA---------------FGGSHASPDNPGFMDCYMANPAGCGWFPRSADTAEIVGTPMPATEKLGEPVDSPHGRFTPMALGPLGRHWQARVGFAGRYDDAWLAERFPFLPADFDERYFQSAPADQWTDHLRGGEEVLL---LNLTGEE----------RAAFRVPRREVPVTFFL---KKGGHETAQARIDTLLVDCDARRVEVTWRIRRPLKR---NLFEIAQVLVGSKSAAWWRARELGKDYYPSLAALARSRQAEEDEA----------------------------------------------- |
| 3CB4 Chain:A ((1-555)) | MKNIRNFSIIAHISTLSDRIIQICGGQSVTLDYKASDGETYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAGQGVEAQTLANCYTAMEMDLEVVPVLNKIDLPAADPERVAEEIEDIVGIDATDAVRCSAKTGVGVQDVLERLVRD-IPPPEGDPEGPLQALIIDSWFDNYLGVVSLIRIKNGTLRKGDKVKVMSTGQTYNADRLGIFTPKQVDRTELKCGEVGWLVCAIKDIHGAPVGDTLTLARNPAEKALPGFKK--VKPQVYAGLFPVSSDDYEAFRDALGKLS-----LNDASLFYEPESSSALG--FGFRCGFLGLLHMEIIQERLER---EYDLDLITTAPTVVYEVETTSREVIYVDSPSKLPAVNNIYELREPIAECHMLLPQAYLGNVITLCVEKRGVQTNMVYHGNQVALTYEIPMAEVVLDFFDRLKSTSRGYASLDYNFKRFQASDMVRVDVLINGERVDALALITHRDNSQNRGRELVEKMKDLIPRQQFDIAIQAAIGTHIIARSTVKQLRKNVLAKCYG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CB4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48555 for 2689 contacts (-18.1/contact) +
2D Compatibility (PS) -40011 + (NN) -1303 + (LL) 476
1D Compatibility (HY) -15200 + (ID) 3200
Total energy: -107793.0 ( -40.09 by residue)
QMean score : 0.133
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