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



Input alignment information:
Query sequenceMSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQV--ADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIV--KTKNELKQAVQELRLPAVLKTCRGG-YDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPAR-VEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDL--LKPGMMVNLLGDEV--KLVEEDPEL--LKEAKLYIYGKHEI-KKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE
3K5I Chain:A ((21-399))-----MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADN-SPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKT-MAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKT-KDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLY-SKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVD-----


General information:
TITO was launched using:
RESULT:

Template: 3K5I.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 : 2192 -185417 -84.59 -506.60
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain A : 0.78

3D Compatibility (PKB) : -84.59
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.491

(partial model without unconserved sides chains):
PDB file : Tito_3K5I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3K5I-query.scw
PDB file : Tito_Scwrl_3K5I.pdb: