Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFLEEILAQKEVEVAKMP----LEQVAEKRKTYSF--YEFLKANTNTMQLIAEVKRASPSKGEINMGVNPVLQAKSYQAAGAGMISVLTDPVFFKGSIEDLREVAKNVGIPVLCKDFIISEKQLIRARNAGATVVLLIISALTEEKLITLFEQALALDLEVLVEVHDQEELAVAQKIGAQLIGVNNRNLHTFEVDIAVSERLASDFSSDACFISESGFRTAEDVARVSQKYDAVLVGEALMREATPEVAAKSLKVTR
1PII Chain:A ((2-252))
QTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQ--GARTAFILECKKASPSKGVIRDDFDPARIAAIYK-HYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALMAHDDLHAAVRRV----
General information:
TITO was launched using:
RESULT:
Template:
1PII.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161643 for 2104 contacts (-76.8/contact) +
2D Compatibility (PS) -26376 + (NN) -8415 + (LL) 616
1D Compatibility (HY) -16800 + (ID) 4200
Total energy: -216818.0 ( -103.05 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_1PII.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PII-query.scw
PDB file :
Tito_Scwrl_1PII.pdb
: