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



Input alignment information:
Query sequenceMNQKFKLPLAIAIASAVLVGCSSNKVKEAKPNPLPKLTESNKSLVPVFSRSVSSTNKADPLRLQLDASEGVVFTLDP-KGEVAAY--RGK--QRLWEKKVSKLG----------LSSGVEAAEGIVVVGNSKGQLFALDQATGEQKWTAQLS-----GALLSPSLVQSGRVITIA------NDGTVFAHDVSSGQQVWAYKLPNVQFSLR---------------------------------GQPSPVS-LDPRTVLIASAN-----------------AYVYAIDTISGIPHFQRRVAVSEGRSDIQRLIDIDGDPVVAG---QLMVTTSFQGQVTVTDLASQRVV---------WSEDSSST-------------------------------KRPEVY--DNKVFVSST------------------------------------DGKLTAYDLTTGEQLWQNDSLLNRHLSNPVV-LGSDLIVGDLDGVLHLIDPTTGKLIGRSKTSGEV--NTLRV--IEKQLY--VSTRKGDLSIWQNR
4MAE Chain:B ((38-537))-----------------------------------------SRLRLAWSFSTGALR---GHEGGPLVVGTTMYVHSAYPNHVYALDLTQKPYAIKWQYTPVQNSQAVAVACCDVVNRGLAYANGKIFMTTLDGQIIALDANTGKELWKMKHADVTKGETITGAPLVVKDKVLVGVSGGEFGVRGRVGAYDINTGNRVWLAYSQGPDEEVLLDSDFNKEFPQHGGPGDGTKTWPGEQWKLGGGTTWGWYSYDPALDLFYYGTSNPGTWNAEQRKGGDNKWSCTIFARRPDTGKARWAYQMTPWDSWDYDGVNEMILPDLTVKGKKTPCLVHFDRNGFGYVLDRRTGQLIEAQPFVYVNWAKEISKENDRPVEIPEKRTKQGVDTKGICPNSMGGKDQQPAAFSPQTGLFYVPTNNMCMNYEGVEATYTAGAPYVGANVLMYSGHEGKDDYYGAFICYDALKGKRVWEIHEHF-PVWSGPVVTAGGLAFYGTMDGWFKAVDIKTGKVLWQQKLGSGIIGNPITFLGPDKKQYVAVYSGVGGWFGIAV-


General information:
TITO was launched using:
RESULT:

Template: 4MAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2065 11855 5.74 35.39
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain B : 0.65

3D Compatibility (PKB) : 5.74
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.65
QMean score : 0.405

(partial model without unconserved sides chains):
PDB file : Tito_4MAE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4MAE-query.scw
PDB file : Tito_Scwrl_4MAE.pdb: