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



Input alignment information:
Query sequenceMSIPRLPPLNAVRAFEAAARLGSYVAAAKALHVTQPAVGRHVRLLEDWLGARLFERTSRGVLLTPAGRQYYAAVSTALQQIAEAGGQLS----G-ARWLRIMAVPAFSRRWLTSRLETLCAQRPGLKIALEPNPTFDHVEERSADLGIVYGLP---GQYANPRALLIRPKVFPVCSPAYLAAAGPLESAEQLVAHKLIHVDDGEWWNLWFSAIGVDV-EVRPAVLYLSN-DHALARAEEGLGIALANEVLVRQELRSGALVRPLAAE-AALECYQVLTPPGT-PSADVEWFIGWLGEALREEFPDAVTS
3SZP Chain:A ((1-289))------MKLDDLNLFRLVVENGSYTSTSKKTMIPVATITRRIQALEDSLNLRLLNRHARKLTLTEAGERFYKDCSPLLERLASMTEEITDECRGASGRIRISAPSNLTKRMMMPMFNAFMEKYPDIHIELMMSNQADDLDPTEWDVIFRVGPQRDSSLI---ARKIGEVKDILVASPQYLSSHPQPTHAEELHQHQLLKGYPLLKWQ-LTNSQGETVVNSDRGRFQASALNVVRSACSEGLGITLMPDVMLREFLEDGSLVQVLSDWSSNPRDIYMLYNHKDHQPEKVRLFIDFVIGYHL---------


General information:
TITO was launched using:
RESULT:

Template: 3SZP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169140 for 1998 contacts (-84.7/contact) +
2D Compatibility (PS) -30280 + (NN) -8207 + (LL) 1232
1D Compatibility (HY) -14000 + (ID) 3300
Total energy: -223695.0 ( -111.96 by residue)
QMean score : 0.424

(partial model without unconserved sides chains):
PDB file : Tito_3SZP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3SZP-query.scw
PDB file : Tito_Scwrl_3SZP.pdb: