Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWD---------VIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSAL--LLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLP-LLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDP-IEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPF----EMVKERLSQIGVNSPEFWYF------IRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTV----DIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY |
2O5R Chain:A ((16-477)) | --VRFAPSPTGFLHVGGARTALFNFLFARKEKGKFILRIEDTDLERSEREYEEKLMESLRWLGLLWDEGPDVGGDHGPYRQSERVEIYREHAERLVKEGKAYYVYAYPEEIEEMREKLLSEGKAPHYSQEMFEKFDTPERRREYEEKGLRPAVFFKMPRKDYV-LNDVVKGEVVFKTGAIGDFVIMRSNGLPTYNFACVVDDMLMEITHVIRGDDHLSNTLRQLALYEAFEKAPPVFAHVSTILGPDGKKLSKRHGATSVEAFRDMGYLPEALVNYLALLGWSHPEGKELLTLEELISSFSLDRLSPNPAIFDPQKLKWMNGYYLRNMPIEKLAELAKPFFEKAGIKIIDEEYFKKVLEITKERVEVLSEFPEESRFFFEDPAPVEIPEE-MKEVFSQLKEELQNVRWTMEEITPVFKKVLKQHGVKPKEFYMTLRRVLTGREEGPELVNIIPLLGKEIFLRRIERS |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O5R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -208876 for 3235 contacts (-64.6/contact) +
2D Compatibility (PS) -45968 + (NN) -16660 + (LL) 580
1D Compatibility (HY) -32000 + (ID) 7750
Total energy: -310674.0 ( -96.04 by residue)
QMean score : 0.495
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