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



Input alignment information:
Query sequenceMGAINPKEDYSNIQNLTFDAVIVGGGGSGMRASYQLAQAGLKVAVLTKVFPTRSHTVAAQGGIGASLGNMQEDNWHFHFYDTVKGSDWLGDQDAIEFMCREAPKVVYELEHLGMPFDRNADGTIYQRPFGGHSANYGDK-PVPRACAAADRTGHALLHTLYQSNVKMGTQFFVEWIALDLIRNEAGDVLGVTAIDQETGNIAVFQAKATLFATGGAGRVYRASTNAYINTGDGLGMAARAGIPLQDMEFWQFHPTGVAGAGVLLTEGCRGEGAILRNKDGEPFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPKGDYILLDMTHLGADTIMKRLPSVFEIGKKFANVDITKEPIPVVPTIHYQMGGIPTNMHGQVCLPEPGTDNYTKPVKGFYAIGECSCVSVHGANRLGTNSLLDLVVFGKAAGEHIIDYVTKHHGDEYAPLPTNVLEQTLARVRKLDESTSGENAQEVADAIRDIVQDHAGVFRTQALLDKGVKEILALEPRVRNIHLKDKSKVFNTARVEALEVENLYEVAKATLISAAARKECRGAHTVVDYELPADHPTYS-----YGRRDYE--WMKHTLWY----SSDNRLEYKPVRFKPLT---VDPIPPAPRTF
3AE3 Chain:A ((38-622))-----------------------------------LSEAGFNTACVTKLFPTRSHTVAAQGGINAALGNMEEDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPASVVELENYGMPFSRTEDGKIYQRAFGGQSLKFGKGGQAHRCCCVADRTGHSLLHTLYGRSLRYDTSYFVEYFALDLLM-ENGECRGVIALCIEDGSIHRIRARNTVVATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYGAGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTLEIREGRGCGPEKDHVYLQLHHLPPEQLAVRLPGISETAMIFAGVDVTKEPIPVLPTVHYNMGGIPTNYKGQVLRHVNGQD---QVVPGLYACGEAACASVHGANRLGANSLLDLVVFGRACALSIAE--SCRPGDKVPSIKPNAGEESVMNLDKLRFANGTIRTSELRLSMQKSMQSHAAVFRVGSVLQEGCEKILRLYGDLQHLKTFDRGMVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDFKERVDEYDYSKPIQGQQKKPFQEHWRKHTLSYVDVKTGKVSLEYRPVIDKTLNEADCATVPPAIRSY


General information:
TITO was launched using:
RESULT:

Template: 3AE3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3453 -68722 -19.90 -120.56
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.83

3D Compatibility (PKB) : -19.90
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.531

(partial model without unconserved sides chains):
PDB file : Tito_3AE3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AE3-query.scw
PDB file : Tito_Scwrl_3AE3.pdb: