
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52       1_A - 52_A        0.84     1.66
  LCS_AVERAGE:     47.38

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     52   90   90     32   72   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     52   90   90     59   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     52   90   90     61   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     52   90   90     51   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     52   90   90     51   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     52   90   90     62   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     52   90   90     58   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     52   90   90     59   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     52   90   90     59   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     52   90   90     62   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     52   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     52   90   90      7   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     52   90   90      4   16   55   80   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     52   90   90      4   12   34   73   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     12   90   90      3    9   17   28   52   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     12   90   90      3   10   20   32   69   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     12   90   90      3   10   20   25   42   71   82   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      6   90   90      3    4    5   13   24   37   63   83   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      3    3    5   13   68   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   70   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   51   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     44   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     61   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     39   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     64   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     30   78   80   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      5   54   79   81   83   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  82.46  (  47.38  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     64     78     80     81     83     84     87     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  71.11  86.67  88.89  90.00  92.22  93.33  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.40   0.45   0.52   0.66   0.75   1.23   1.27   1.41   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57
GDT RMS_ALL_AT   1.72   1.75   1.74   1.71   1.71   1.69   1.58   1.58   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     1.463     0    0.229   1.021     2.415   79.524   79.583
LGA    L     2_A      L     2_A     0.810     0    0.037   1.166     2.792   88.214   80.833
LGA    F     3_A      F     3_A     0.828     0    0.098   0.124     1.190   90.476   85.541
LGA    E     4_A      E     4_A     0.701     0    0.134   0.446     1.672   88.214   87.566
LGA    G     5_A      G     5_A     1.370     0    0.017   0.017     1.370   81.429   81.429
LGA    D     6_A      D     6_A     1.472     0    0.097   0.793     4.242   81.429   66.964
LGA    K     7_A      K     7_A     1.300     0    0.024   0.741     3.463   83.690   78.942
LGA    F     8_A      F     8_A     0.947     0    0.021   0.088     1.045   88.214   89.697
LGA    V     9_A      V     9_A     0.593     0    0.048   0.089     0.707   90.476   93.197
LGA    G    10_A      G    10_A     0.270     0    0.040   0.040     0.527   97.619   97.619
LGA    S    11_A      S    11_A     0.349     0    0.032   0.045     0.416  100.000  100.000
LGA    F    12_A      F    12_A     0.371     0    0.027   0.084     0.529   97.619   98.268
LGA    E    13_A      E    13_A     0.961     0    0.015   0.586     3.354   88.214   77.249
LGA    N    14_A      N    14_A     0.994     0    0.009   0.521     2.087   88.214   85.000
LGA    A    15_A      A    15_A     0.562     0    0.098   0.117     0.664   90.476   92.381
LGA    A    16_A      A    16_A     0.559     0    0.019   0.033     0.829   90.476   90.476
LGA    A    17_A      A    17_A     1.016     0    0.027   0.032     1.172   85.952   85.048
LGA    G    18_A      G    18_A     0.810     0    0.068   0.068     0.948   90.476   90.476
LGA    T    19_A      T    19_A     0.560     0    0.020   0.091     0.683   90.476   91.837
LGA    F    20_A      F    20_A     0.414     0    0.021   0.137     0.581  100.000   98.268
LGA    V    21_A      V    21_A     0.349     0    0.010   0.041     0.581  100.000   98.639
LGA    L    22_A      L    22_A     0.253     0    0.022   0.082     0.462  100.000  100.000
LGA    D    23_A      D    23_A     0.356     0    0.043   0.069     0.815  100.000   95.238
LGA    M    24_A      M    24_A     0.335     0    0.105   0.658     2.535  100.000   85.655
LGA    Y    25_A      Y    25_A     0.440     0    0.004   0.079     0.890  100.000   94.444
LGA    A    26_A      A    26_A     0.329     0    0.040   0.056     0.435  100.000  100.000
LGA    Y    27_A      Y    27_A     0.197     0    0.033   0.314     1.271  100.000   93.730
LGA    E    28_A      E    28_A     0.469     0    0.015   0.803     3.612  100.000   80.106
LGA    R    29_A      R    29_A     0.477     0    0.012   1.474     4.214  100.000   80.433
LGA    L    30_A      L    30_A     0.316     0    0.046   0.071     0.599  100.000   97.619
LGA    A    31_A      A    31_A     0.321     0    0.036   0.050     0.321  100.000  100.000
LGA    N    32_A      N    32_A     0.195     0    0.101   0.105     0.713   97.619   97.619
LGA    S    33_A      S    33_A     0.215     0    0.081   0.092     0.327  100.000  100.000
LGA    I    34_A      I    34_A     0.342     0    0.050   0.179     0.933  100.000   98.810
LGA    S    35_A      S    35_A     0.315     0    0.063   0.062     0.394  100.000  100.000
LGA    T    36_A      T    36_A     0.459     0    0.019   0.038     0.604   95.238   97.279
LGA    E    37_A      E    37_A     0.693     0    0.013   1.034     3.281   90.476   76.561
LGA    K    38_A      K    38_A     0.511     0    0.025   0.978     3.867   90.476   77.937
LGA    L    39_A      L    39_A     0.487     0    0.036   0.122     0.596   95.238   96.429
LGA    R    40_A      R    40_A     0.608     0    0.028   0.479     1.003   90.476   89.654
LGA    Q    41_A      Q    41_A     0.608     0    0.022   1.165     4.281   90.476   81.693
LGA    Y    42_A      Y    42_A     0.593     0    0.031   0.118     0.705   90.476   92.857
LGA    A    43_A      A    43_A     0.681     0    0.018   0.019     0.708   90.476   90.476
LGA    S    44_A      S    44_A     0.668     0    0.074   0.077     0.910   90.476   90.476
LGA    T    45_A      T    45_A     0.495     0    0.075   0.123     0.559   97.619   98.639
LGA    Y    46_A      Y    46_A     0.674     0    0.019   0.061     0.703   90.476   94.444
LGA    N    47_A      N    47_A     0.670     0    0.029   0.142     1.126   92.857   90.536
LGA    K    48_A      K    48_A     0.479     0    0.037   0.710     2.417   95.238   92.910
LGA    Y    49_A      Y    49_A     0.681     0    0.180   0.202     1.470   88.214   89.722
LGA    K    50_A      K    50_A     0.946     0    0.044   0.122     2.199   81.786   86.614
LGA    Y    51_A      Y    51_A     2.662     0    0.137   0.161     3.596   59.286   51.429
LGA    Y    52_A      Y    52_A     3.284     0    0.198   0.171     5.738   48.452   38.889
LGA    S    53_A      S    53_A     4.860     0    0.390   0.362     7.339   25.000   25.476
LGA    G    54_A      G    54_A     4.728     0    0.066   0.066     5.016   31.548   31.548
LGA    S    55_A      S    55_A     6.115     0    0.358   0.826     9.581   18.214   14.444
LGA    A    56_A      A    56_A     6.875     0    0.602   0.541     7.543   18.571   16.286
LGA    S    57_A      S    57_A     5.137     0    0.643   0.730     8.379   35.952   26.984
LGA    E    58_A      E    58_A     3.117     0    0.651   1.191    11.977   57.262   28.730
LGA    A    59_A      A    59_A     2.303     0    0.121   0.135     2.606   66.905   66.476
LGA    D    60_A      D    60_A     0.634     0    0.273   0.941     2.752   90.476   78.810
LGA    Y    61_A      Y    61_A     1.044     0    0.030   0.210     1.094   85.952   86.706
LGA    R    62_A      R    62_A     1.143     0    0.032   1.264     6.612   83.690   56.970
LGA    L    63_A      L    63_A     0.799     0    0.027   1.001     3.236   90.476   83.214
LGA    A    64_A      A    64_A     0.597     0    0.010   0.018     0.650   90.476   90.476
LGA    C    65_A      C    65_A     0.675     0    0.046   0.092     0.679   90.476   90.476
LGA    F    66_A      F    66_A     0.642     0    0.033   0.089     0.908   90.476   90.476
LGA    A    67_A      A    67_A     0.465     0    0.018   0.028     0.555   97.619   98.095
LGA    H    68_A      H    68_A     0.422     0    0.017   0.065     0.465  100.000  100.000
LGA    L    69_A      L    69_A     0.390     0    0.036   0.064     0.513  100.000   98.810
LGA    A    70_A      A    70_A     0.351     0    0.010   0.010     0.416  100.000  100.000
LGA    K    71_A      K    71_A     0.369     0    0.039   0.676     2.875  100.000   95.238
LGA    A    72_A      A    72_A     0.329     0    0.052   0.062     0.377  100.000  100.000
LGA    M    73_A      M    73_A     0.431     0    0.028   0.074     0.516   97.619   98.810
LGA    M    74_A      M    74_A     0.358     0    0.071   0.824     2.506  100.000   93.452
LGA    D    75_A      D    75_A     0.131     0    0.009   0.100     0.591  100.000   98.810
LGA    Y    76_A      Y    76_A     0.228     0    0.044   0.110     0.885  100.000   94.444
LGA    A    77_A      A    77_A     0.337     0    0.026   0.025     0.524   97.619   98.095
LGA    S    78_A      S    78_A     0.498     0    0.058   0.616     1.987   97.619   92.302
LGA    N    79_A      N    79_A     0.373     0    0.013   0.179     0.534  100.000   98.810
LGA    H    80_A      H    80_A     0.473     0    0.035   0.575     1.564   97.619   87.143
LGA    N    81_A      N    81_A     0.494     0    0.022   1.083     2.429   95.238   88.631
LGA    D    82_A      D    82_A     0.270     0    0.008   0.146     0.550  100.000   97.619
LGA    T    83_A      T    83_A     0.660     0    0.081   0.970     2.708   97.619   87.211
LGA    L    84_A      L    84_A     0.305     0    0.081   0.087     1.128  100.000   94.107
LGA    Y    85_A      Y    85_A     0.373     0    0.022   0.058     0.709  100.000   94.444
LGA    T    86_A      T    86_A     0.363     0    0.058   0.100     0.528  100.000   98.639
LGA    P    87_A      P    87_A     0.569     0    0.058   0.132     0.920   90.476   90.476
LGA    P    88_A      P    88_A     0.936     0    0.069   0.223     1.187   92.857   90.544
LGA    T    89_A      T    89_A     0.884     0    0.037   1.075     4.207   92.857   78.163
LGA    V    90_A      V    90_A     1.588     0    0.208   0.259     3.160   72.976   67.347

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.566          1.541                  1.898           88.579   84.861

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    1.27    93.611    96.135     6.439

LGA_LOCAL      RMSD:   1.267  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.584  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.566  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.566828 * X  +   0.819163 * Y  +   0.087630 * Z  + -10.698038
  Y_new =  -0.595246 * X  +   0.333690 * Y  +   0.730981 * Z  +  20.359364
  Z_new =   0.569551 * X  +  -0.466501 * Y  +   0.676748 * Z  +  -0.961714 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.809849 -0.605959 -0.603528   [DEG:  -46.4009  -34.7189  -34.5796 ]
ZXZ:  3.022282  0.827460  2.257057   [DEG:  173.1640   47.4099  129.3198 ]
 
# END of job
