Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSRTGPKMEGSGGRVRLKAHYGGDIFITSVDAATTFEELCEEVRDMCRLHQQHPLTLKWVDSEGDPCTVSSQMELEEAFRLARQCRDEGLIIHVFPSTPEQPGLPCPGEDKSIYRRGARRWRKLYRANGHLFQAKRFNRRAYCGQCSERIWGLARQGYRCINCKLLVHKRCHGLVPLTCRKHMDSVMPSQEPPVDDKNEDADLPSEETDGIAYISSSRKHDSIKDDSEDLKPVIDGMDGIKISQGLGLQDFDLIRVIGRGSYAKVLLVRL---KKNDQIYAMKVVKKELVHDDEDIDWVQTEKHVFEQASSNPFLVGLHSCFQTTSRLFLVIEYVNGGDLMFHMQRQRKLPEEHARFYAAEICIALNFLHERGIIYRDLKLDNVLLDADGHIKLTDYGMCKEGLGPGDTTSTFCGTPNYIAPEILRGEEYGFSVDWWALGVLMFEMMAGRSPFDIITDNPDMNTEDYLFQVILEKPIRIPRFLSVKASHVLKGFLNKDPKERLGCRPQTGFSDIKSHAFFRSIDWDLLEKKQALPPFQPQITDDYGLDNFDTQFTSEPVQLTPDDEDAIKRIDQSEFEGFEYINPLLLSTEESV |
3A60 Chain:A ((19-299)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAM----------KAERNILEEVK-HPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKE-------------TIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPF---TGENRKKTIDK----ILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDA-GEVQAHPFFRHINWEELLARKVEPPFKP------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3A60.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -147643 for 1941 contacts (-76.1/contact) +
2D Compatibility (PS) -27271 + (NN) -16251 + (LL) 17248
1D Compatibility (HY) -27600 + (ID) 5550
Total energy: -207067.0 ( -106.68 by residue)
QMean score : 0.533
|
|
|