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


Input alignment information:
Query sequenceMLKELKVTDLKKTYGEKDLFDQISFLVHEKDRIGLIGTNGTGKTSLLNIIAGIDSSDGDRQTVFYPTD---------YRIGYLSQAAEFSDELTVLQAVFQGNSPLIQTVRAYEEALIELGENGEDPDVQKRYAKAEEQMNKEDAWTTDTNAKIILQKLGIS-ELDKKISTLSGGQKKRVSLAQVLIDEPDLLLLDEPTNHLDYEAIEWLENYLKQY----RGALLMVTHDRYFLDRVANRIFELSFGKLYEYKGNYEAYVLEKAERDRVEVEQEEKRKRLYKQELAWMRAGVQARGTKQQARINRFEDLKENLYQVNQEDDLELNLATQRLGKKVLEIKDGSYRINDQTLLEHLDLLIQSRERLGITGKNGAGKSTLLNILAGRIPLDSGTMSIGETVHLAYYTQENEEMAPDKRMIAYLQEAAEEAKTADGSQIGVAELLERFLFPRFMHGTLIGKLSGGEKRRLFLLKLLIQQPNVLLLDEPTNDLDIATLTILEDYFRSFPGAVITVSHDRYFLDKVADKLLVFQGNGKQELYYGNMSSYLLKQKETQQPAEKAKPKIQSKEPAEKKKLSYMEQKEWETIEDEIAELEEKISLLQEEMNHQGDNFTRLQELQNDVSETEAQLEEKMARWEYLSEWVED
2AWN Chain:B ((2-219))--ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSG--DLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAG-----------------------------------AKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ-VGKPL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2AWN.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 : 1021 -13170 -12.90 -64.56
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain B : 0.63

3D Compatibility (PKB) : -12.90
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.365

(partial model without unconserved sides chains):
PDB file : Tito_2AWN.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2AWN-query.scw
PDB file : Tito_Scwrl_2AWN.pdb: