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



Input alignment information:
Query sequenceMNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAAND-SNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVEQKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAK--TLAGNGFLYLTAPDELAEKAEQSHLLTL
1THM Chain:A ((10-278))--------------------SRQYGPQKIQAPQAWDI-AEGSGAKIAIVDTGVQSNHPDLAGKVVGGWDFVDND----STPQNGNGHGTHCAGIAAAVTNNSTGIAGTAPKASILAVRVLDN-SGSGTWTAVANGITYAADQGAKVISLSLGGTVGNSGLQQAVNYAWNKGSVVVAAAGNAGNT-----APNYPAYYSNAIAVASTDQNDNKSSFSTYGSWVDVAAPGSSIYSTYPTSTYASLSGTSMATPHVAGVAGLLASQG-------RSASNIR-AAIENTA-DKISGTGTYWAKGRVNAYKAVQ-------------


General information:
TITO was launched using:
RESULT:

Template: 1THM.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 : 1943 -167543 -86.23 -629.86
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -86.23
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.572

(partial model without unconserved sides chains):
PDB file : Tito_1THM.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1THM-query.scw
PDB file : Tito_Scwrl_1THM.pdb: