
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.36     1.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.36     1.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.94     1.40
  LCS_AVERAGE:     95.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A      3   87   87      0    3    3   10   23   52   75   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S     2_A     S     2_A      3   87   87      0    3    3    3   26   35   47   84   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    4    4    4    5   35   47   66   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     31   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     24   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     52   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     54   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     55   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     17   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     23   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     28   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     16   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     55   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     24   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     55   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     30   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     24   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     15   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     15   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     52   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     54   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     34   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     34   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     21   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     52   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     20   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     17   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     44   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     17   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87      9   53   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     24   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87     56   83   84   84   84   84   84   85   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_AVERAGE  LCS_A:  98.51  (  95.53  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     56     83     84     84     84     84     84     85     87     87     87     87     87     87     87     87     87     87     87     87 
GDT PERCENT_AT  64.37  95.40  96.55  96.55  96.55  96.55  96.55  97.70 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.50   0.51   0.51   0.51   0.51   0.51   0.89   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36
GDT RMS_ALL_AT   1.40   1.44   1.45   1.45   1.45   1.45   1.45   1.40   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    73_A      E    73_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     6.556     0    0.409   0.409     7.366   11.667   11.667
LGA    S     2_A      S     2_A     7.158     0    0.603   0.836     9.297    7.976   11.111
LGA    A     3_A      A     3_A     7.204     0    0.669   0.639     8.858   20.238   16.762
LGA    D     4_A      D     4_A     0.453     0    0.580   1.342     5.296   89.286   66.071
LGA    L     5_A      L     5_A     0.421     0    0.057   0.925     2.529  100.000   88.869
LGA    A     6_A      A     6_A     0.343     0    0.049   0.048     0.516  100.000   98.095
LGA    H     7_A      H     7_A     0.201     0    0.030   0.514     1.717  100.000   93.619
LGA    G     8_A      G     8_A     0.185     0    0.037   0.037     0.209  100.000  100.000
LGA    K     9_A      K     9_A     0.235     0    0.029   0.674     3.241  100.000   90.265
LGA    A    10_A      A    10_A     0.262     0    0.038   0.043     0.542  100.000   98.095
LGA    I    11_A      I    11_A     0.286     0    0.030   0.097     1.143  100.000   94.107
LGA    F    12_A      F    12_A     0.324     0    0.022   0.111     0.463  100.000  100.000
LGA    A    13_A      A    13_A     0.218     0    0.059   0.057     0.253  100.000  100.000
LGA    G    14_A      G    14_A     0.262     0    0.102   0.102     0.763   97.619   97.619
LGA    N    15_A      N    15_A     0.299     0    0.122   0.200     1.119   92.976   94.107
LGA    C    16_A      C    16_A     0.134     0    0.028   0.164     0.593  100.000   98.413
LGA    A    17_A      A    17_A     0.698     0    0.054   0.052     1.181   92.857   90.571
LGA    A    18_A      A    18_A     0.789     0    0.055   0.054     1.190   95.238   92.476
LGA    C    19_A      C    19_A     0.513     0    0.094   0.100     1.202   92.857   90.556
LGA    H    20_A      H    20_A     0.174     0    0.255   0.693     1.743   97.619   89.762
LGA    N    21_A      N    21_A     0.545     0    0.036   0.083     1.790   92.857   86.071
LGA    G    22_A      G    22_A     0.661     0    0.123   0.123     0.661   95.238   95.238
LGA    G    23_A      G    23_A     0.396     0    0.044   0.044     0.484  100.000  100.000
LGA    L    24_A      L    24_A     0.192     0    0.058   1.169     4.323  100.000   78.929
LGA    N    25_A      N    25_A     0.321     0    0.031   0.122     0.458  100.000  100.000
LGA    A    26_A      A    26_A     0.558     0    0.042   0.066     0.709   92.857   92.381
LGA    I    27_A      I    27_A     0.775     0    0.043   1.159     3.871   90.476   76.310
LGA    N    28_A      N    28_A     0.393     0    0.124   1.332     3.141   97.619   82.798
LGA    P    29_A      P    29_A     0.175     0    0.064   0.161     0.705   97.619   98.639
LGA    S    30_A      S    30_A     0.809     0    0.141   0.724     3.041   86.071   80.794
LGA    K    31_A      K    31_A     0.715     0    0.105   0.547     1.427   90.476   90.529
LGA    T    32_A      T    32_A     0.359     0    0.038   0.054     0.528   95.238   97.279
LGA    L    33_A      L    33_A     0.298     0    0.106   0.133     1.149  100.000   94.107
LGA    K    34_A      K    34_A     0.232     0    0.047   0.858     3.779  100.000   87.672
LGA    M    35_A      M    35_A     0.358     0    0.032   0.988     3.883  100.000   84.286
LGA    A    36_A      A    36_A     0.273     0    0.052   0.051     0.334  100.000  100.000
LGA    D    37_A      D    37_A     0.252     0    0.021   0.253     1.080  100.000   97.679
LGA    L    38_A      L    38_A     0.281     0    0.034   0.087     0.600  100.000   98.810
LGA    E    39_A      E    39_A     0.315     0    0.022   0.740     2.792  100.000   87.090
LGA    A    40_A      A    40_A     0.403     0    0.106   0.105     0.545   97.619   96.190
LGA    N    41_A      N    41_A     0.777     0    0.175   0.471     2.248   90.476   82.857
LGA    G    42_A      G    42_A     0.550     0    0.070   0.070     0.652   95.238   95.238
LGA    K    43_A      K    43_A     0.079     0    0.118   1.037     4.480   97.619   81.587
LGA    N    44_A      N    44_A     0.368     0    0.065   1.227     4.262   97.619   81.190
LGA    S    45_A      S    45_A     0.449     0    0.030   0.064     0.569  100.000   98.413
LGA    V    46_A      V    46_A     0.471     0    0.031   0.131     0.747  100.000   98.639
LGA    A    47_A      A    47_A     0.435     0    0.031   0.040     0.478  100.000  100.000
LGA    A    48_A      A    48_A     0.337     0    0.061   0.061     0.383  100.000  100.000
LGA    I    49_A      I    49_A     0.359     0    0.047   0.592     1.659  100.000   95.417
LGA    V    50_A      V    50_A     0.441     0    0.037   0.083     0.838  100.000   97.279
LGA    A    51_A      A    51_A     0.438     0    0.044   0.045     0.687   97.619   98.095
LGA    Q    52_A      Q    52_A     0.593     0    0.031   0.832     2.300   95.238   87.725
LGA    I    53_A      I    53_A     0.359     0    0.034   0.091     0.651  100.000   97.619
LGA    T    54_A      T    54_A     0.532     0    0.041   1.104     2.855   92.857   84.558
LGA    N    55_A      N    55_A     0.770     0    0.032   1.200     3.986   90.476   81.250
LGA    G    56_A      G    56_A     0.729     0    0.087   0.087     0.729   90.476   90.476
LGA    N    57_A      N    57_A     0.820     0    0.053   1.287     5.244   90.476   72.321
LGA    G    58_A      G    58_A     0.991     0    0.031   0.031     0.991   90.476   90.476
LGA    A    59_A      A    59_A     0.727     0    0.171   0.172     1.135   90.476   88.667
LGA    M    60_A      M    60_A     0.541     0    0.051   0.255     0.830   95.238   92.857
LGA    P    61_A      P    61_A     0.653     0    0.047   0.411     0.846   92.857   93.197
LGA    G    62_A      G    62_A     0.394     0    0.111   0.111     0.773   95.238   95.238
LGA    F    63_A      F    63_A     0.713     0    0.164   0.208     0.789   90.476   90.476
LGA    K    64_A      K    64_A     1.094     0    0.037   1.339     4.395   88.214   70.635
LGA    G    65_A      G    65_A     0.431     0    0.186   0.186     0.703   95.238   95.238
LGA    R    66_A      R    66_A     0.400     0    0.100   1.147     5.581   97.619   77.662
LGA    I    67_A      I    67_A     0.444     0    0.055   0.106     0.700   95.238   96.429
LGA    S    68_A      S    68_A     0.727     0    0.064   0.581     1.569   90.476   87.540
LGA    D    69_A      D    69_A     0.900     0    0.030   0.519     2.244   90.476   85.000
LGA    S    70_A      S    70_A     1.073     0    0.029   0.065     1.403   85.952   84.444
LGA    D    71_A      D    71_A     0.832     0    0.056   0.098     1.131   90.476   89.345
LGA    M    72_A      M    72_A     0.462     0    0.052   0.695     2.402   97.619   85.417
LGA    E    73_A      E    73_A     0.476     0    0.032   0.764     2.292   97.619   86.931
LGA    D    74_A      D    74_A     0.340     0    0.019   0.062     0.441  100.000  100.000
LGA    V    75_A      V    75_A     0.329     0    0.024   0.237     0.684  100.000   98.639
LGA    A    76_A      A    76_A     0.344     0    0.034   0.040     0.387  100.000  100.000
LGA    A    77_A      A    77_A     0.321     0    0.029   0.039     0.408  100.000  100.000
LGA    Y    78_A      Y    78_A     0.311     0    0.028   0.060     0.382  100.000  100.000
LGA    V    79_A      V    79_A     0.222     0    0.025   0.116     0.338  100.000  100.000
LGA    L    80_A      L    80_A     0.214     0    0.032   0.225     0.791  100.000   97.619
LGA    D    81_A      D    81_A     0.402     0    0.029   0.262     0.880  100.000   95.238
LGA    Q    82_A      Q    82_A     0.201     0    0.026   0.301     1.471  100.000   95.820
LGA    A    83_A      A    83_A     0.200     0    0.037   0.054     0.455  100.000  100.000
LGA    E    84_A      E    84_A     0.857     0    0.038   1.065     3.957   88.214   77.513
LGA    K    85_A      K    85_A     1.364     0    0.129   0.469     4.450   81.429   65.079
LGA    G    86_A      G    86_A     0.995     0    0.497   0.497     3.281   78.095   78.095
LGA    W    87_A      W    87_A     0.420     0    0.528   0.430     1.627   90.833   94.660

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     1.364          1.383                  1.604           93.043   88.527

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     85    0.89    97.414    98.382     8.581

LGA_LOCAL      RMSD:   0.891  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.400  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.364  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.531356 * X  +  -0.040805 * Y  +  -0.846166 * Z  +  71.672913
  Y_new =  -0.846855 * X  +  -0.000706 * Y  +   0.531823 * Z  +  51.009048
  Z_new =  -0.022298 * X  +   0.999167 * Y  +  -0.034181 * Z  + 115.865517 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.131152  0.022300  1.604992   [DEG: -122.1060    1.2777   91.9593 ]
ZXZ: -2.131915  1.604984 -0.022313   [DEG: -122.1497   91.9588   -1.2785 ]
 
# END of job
