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



Input alignment information:
Query sequenceMSRIPFLLILIIVIASLPVINNWLSYHNQTLNDDYIGERLDNYISRNFDKIIKILREESIKSNYAARDNATKGKILQYENKIFDLAYPYLGNENSNIIAVGFFDYSCGYCKAIKDDIKQLI-NDG-KIKYIFRDTPILG----------------------------------------NNSLKAAKSALAVYFIDKGKYFDFHYAILDHK----GEF-SDENILDIVKSIGINEDNFNNSMKNNAGKIEQMINDSKFLVRELGAGGTPFLIIGDS----L-FIGATDLDVLRKKVDELSHKQN
2IN3 Chain:A ((6-212))----------------------------------------------------------------------------------------------EKPVLWYIADPMCSWCWGFAPVIENIRQEYSAFLTVKIMPG----GTNTPLLPEKRAQILHHWHSVHITTGQPFTFENALPEGFIYDTEPACRGVVSVSLIEPEKVFPFFAAIQRAFYVGQEDVAQLAILKKLAVDLGIPESRFTPVF--QSDEAKQRTLAGFQRVAQWGISGFPALVVESGTDRYLITTGYRPIEALRQLLDTWLQQHG


General information:
TITO was launched using:
RESULT:

Template: 2IN3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87870 for 1165 contacts (-75.4/contact) +
2D Compatibility (PS) -16523 + (NN) -10151 + (LL) 6704
1D Compatibility (HY) -6800 + (ID) 1350
Total energy: -115990.0 ( -99.56 by residue)
QMean score : 0.574

(partial model without unconserved sides chains):
PDB file : Tito_2IN3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IN3-query.scw
PDB file : Tito_Scwrl_2IN3.pdb: