Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMENRNNMTEFVLLGLTENPKMQKIIFVVFFVIYIITVVGYVLIVVTITASPSLGSPMYLSLAYLSFIDACYSSVNTPNLITHSLYGKKAIL-FNGCMTQVFGEHFFGGAEGIL----LTVMAYDHYVAICKPLHYMTIMNQCVCALLMGVVWMGGFLHATIQILFIFQLPFCGPNVIDHFMCD--LNPLLNLACTDTHMLELFIAANSG-----FICLLNFALLLVSYVVILCSL--RTHSLEARH-KALSTCVSHITVVILFFVPCIFVYMRPAATL-------------PIDKAVAIFYTMITPMLNPLIYTLKNAQMKNAIRKLCSRKDISGDK
3AYN Chain:A ((60-328))-----------------------------------------------TKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISCFLKKWIFGFAAC--KVYG--FIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLWSVLWAIGPIF------GWGAYTLEGVLCNCSFDYISRDSTTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKELRKAQAGANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPLEWVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQF


General information:
TITO was launched using:
RESULT:

Template: 3AYN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -185306 for 1680 contacts (-110.3/contact) +
2D Compatibility (PS) -24186 + (NN) -6813 + (LL) 6292
1D Compatibility (HY) -19200 + (ID) 2900
Total energy: -232113.0 ( -138.16 by residue)
QMean score : 0.263

(partial model without unconserved sides chains):
PDB file : Tito_3AYN.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AYN-query.scw
PDB file : Tito_Scwrl_3AYN.pdb: