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


Input alignment information:
Query sequenceMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLCFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRL-RHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEM--STPLSVKGRI--ILEIIEGMCYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTL--YYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFA-NKEPYENAICEQQLIMCIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLEESVEEDVKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN
4NKA Chain:B ((72-298))-----------------------------------------------------------LISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPP-EQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADF-------------------HHIDYYKKTTNGRLPVKWMAPEALFDRIY--THQSDVWSFGVLLWEIFTLGGSPYPGVPVE-ELFKLLKEGHRMDK---PSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4NKA.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 : 880 -12170 -13.83 -60.85
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain B : 0.62

3D Compatibility (PKB) : -13.83
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.135

(partial model without unconserved sides chains):
PDB file : Tito_4NKA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4nka-query.scw
PDB file : Tito_Scwrl_4NKA.pdb: