Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIQSKLPNVGTTIFTRMSQLAAECGAINLSQGFPDFDGPPELREAVGRH-IAAGHNQYAPMTGLPALREQVAKKIEQFYGRRVSADSEVTITPGATEAIFSAIQALVHPGDEVVVLDPSYDSYEPSVQLAGGRCVHVPL----------ALPDFSIDWQRMAEAIGPRTRLVIINTPHNPSGALISREELDRLAALIRDRDIYLISDEVYEHLVFDGVAHTSVLSHDELYPRSFVVSSFGKTYHVTGWKTGYVVAPPALSAELRKVHQYVNFCGVTPLQWALADYM------AGHPE-HLRQLPGFYQAKRDLFCDLLLDSRFRFTRAPGTYFQCVDYSAIRPDLDDVAMAE--------WLTREHGVAAIPVSVFYE--KAPDAMRLVRFCYAKREETLRQAAEKLCAI |
3E2Z Chain:A ((4-404)) | ----RIEGLDSNVWVEFTKLAADPSVVNLGQGFPDISPPSYVKEELSKAAFIDNMNQYTRGFGHPALVKALSCLYGKIYQRQIDPNEEILVAVGAYGSLFNSIQGLVDPGDEVIIMVPFYDCYEPMVRMAGAVPVFIPLRSKPTDGMKWTSSDWTFDPRELESKFSSKTKAIILNTPHNPLGKVYTRQELQVIADLCVKHDTLCISDEVYEWLVYTGHTHVKIATLPGMWERTITIGSAGKTFSVTGWKLGWSIGPAHLIKHLQTVQQNSFYTCATPLQAALAEAFWIDIKRMDDPECYFNSLPKELEVKRDRMVRLLNSVGLKPIVPDGGYFIIADVSSLGADLSDMNSDEPYDYKFVKWMTKHKKLTAIPVSAFCDSKSKPHFEKLVRFCFIKKDSTLDAAEE----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3E2Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -256114 for 3148 contacts (-81.4/contact) +
2D Compatibility (PS) -41102 + (NN) -23728 + (LL) 1148
1D Compatibility (HY) -30800 + (ID) 6700
Total energy: -357296.0 ( -113.50 by residue)
QMean score : 0.502
|
|
|