
#######################################################
#                                                     #
#                        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        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        0.77     1.24
  LCS_AVERAGE:     50.63

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     54   90   90     12   55   81   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     54   90   90     52   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     54   90   90     62   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     54   90   90     51   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     54   90   90     39   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     54   90   90     39   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     54   90   90     43   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     54   90   90     60   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     54   90   90     62   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     54   90   90     52   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     54   90   90     62   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     54   90   90     62   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     54   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     54   90   90     33   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     54   90   90     48   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     54   90   90      3   23   76   83   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     54   90   90      4   29   75   82   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     48   90   90      4    7   18   34   50   80   87   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A     24   90   90      4    7   20   33   50   80   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A     24   90   90      4    5    8   58   80   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    5   37   84   86   87   88   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    6   39   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     54   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     60   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     61   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     52   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     63   78   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      6   72   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      3   62   82   84   86   87   88   89   90   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  83.54  (  50.63  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     63     78     82     84     86     87     88     89     90     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  70.00  86.67  91.11  93.33  95.56  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.41   0.52   0.61   0.74   0.88   1.02   1.15   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.28   1.32   1.27   1.27   1.24   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_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     1.906     0    0.202   1.119     3.521   73.214   69.524
LGA    L     2_A      L     2_A     1.079     0    0.040   1.187     3.174   85.952   78.810
LGA    F     3_A      F     3_A     1.077     0    0.092   0.113     1.559   81.429   79.870
LGA    E     4_A      E     4_A     0.891     0    0.133   0.471     1.467   85.952   87.460
LGA    G     5_A      G     5_A     1.525     0    0.022   0.022     1.541   75.000   75.000
LGA    D     6_A      D     6_A     1.679     0    0.047   0.340     2.143   72.857   70.833
LGA    K     7_A      K     7_A     1.513     0    0.038   1.068     4.924   77.143   72.116
LGA    F     8_A      F     8_A     1.125     0    0.018   0.128     1.250   83.690   88.095
LGA    V     9_A      V     9_A     0.599     0    0.049   0.134     0.772   95.238   95.918
LGA    G    10_A      G    10_A     0.295     0    0.037   0.037     0.631   97.619   97.619
LGA    S    11_A      S    11_A     0.291     0    0.030   0.051     0.456  100.000  100.000
LGA    F    12_A      F    12_A     0.317     0    0.024   0.072     0.484  100.000  100.000
LGA    E    13_A      E    13_A     0.822     0    0.017   0.446     2.673   90.476   79.947
LGA    N    14_A      N    14_A     0.894     0    0.012   0.174     1.042   88.214   89.345
LGA    A    15_A      A    15_A     0.535     0    0.081   0.096     0.629   95.238   96.190
LGA    A    16_A      A    16_A     0.407     0    0.029   0.038     0.659   95.238   94.286
LGA    A    17_A      A    17_A     0.766     0    0.029   0.031     0.892   90.476   90.476
LGA    G    18_A      G    18_A     0.704     0    0.099   0.099     0.914   90.476   90.476
LGA    T    19_A      T    19_A     0.615     0    0.023   0.097     0.923   90.476   90.476
LGA    F    20_A      F    20_A     0.490     0    0.022   0.140     0.641   97.619   96.537
LGA    V    21_A      V    21_A     0.281     0    0.014   0.036     0.563  100.000   98.639
LGA    L    22_A      L    22_A     0.223     0    0.011   0.059     0.420  100.000  100.000
LGA    D    23_A      D    23_A     0.252     0    0.045   0.066     0.583  100.000   98.810
LGA    M    24_A      M    24_A     0.319     0    0.106   0.734     3.667  100.000   84.940
LGA    Y    25_A      Y    25_A     0.307     0    0.009   0.063     0.746  100.000   97.619
LGA    A    26_A      A    26_A     0.235     0    0.040   0.056     0.313  100.000  100.000
LGA    Y    27_A      Y    27_A     0.146     0    0.036   0.294     1.295  100.000   93.730
LGA    E    28_A      E    28_A     0.389     0    0.012   0.634     2.757  100.000   80.952
LGA    R    29_A      R    29_A     0.444     0    0.011   1.467     4.445  100.000   79.654
LGA    L    30_A      L    30_A     0.328     0    0.041   0.069     0.610  100.000   98.810
LGA    A    31_A      A    31_A     0.369     0    0.040   0.053     0.379  100.000  100.000
LGA    N    32_A      N    32_A     0.213     0    0.085   0.142     0.935   97.619   97.619
LGA    S    33_A      S    33_A     0.179     0    0.064   0.076     0.314  100.000  100.000
LGA    I    34_A      I    34_A     0.273     0    0.051   0.171     0.867  100.000   98.810
LGA    S    35_A      S    35_A     0.225     0    0.059   0.060     0.266  100.000  100.000
LGA    T    36_A      T    36_A     0.301     0    0.048   0.075     0.505   97.619   98.639
LGA    E    37_A      E    37_A     0.548     0    0.025   0.829     2.092   92.857   85.820
LGA    K    38_A      K    38_A     0.400     0    0.019   0.745     4.040  100.000   85.185
LGA    L    39_A      L    39_A     0.345     0    0.033   0.122     0.532  100.000   98.810
LGA    R    40_A      R    40_A     0.478     0    0.016   1.123     4.649  100.000   81.558
LGA    Q    41_A      Q    41_A     0.460     0    0.022   1.129     4.360  100.000   84.127
LGA    Y    42_A      Y    42_A     0.407     0    0.042   0.118     0.880  100.000   96.032
LGA    A    43_A      A    43_A     0.596     0    0.022   0.027     0.652   90.476   90.476
LGA    S    44_A      S    44_A     0.531     0    0.058   0.084     0.674   92.857   92.063
LGA    T    45_A      T    45_A     0.327     0    0.061   0.108     0.361  100.000  100.000
LGA    Y    46_A      Y    46_A     0.514     0    0.021   0.050     0.646   92.857   96.825
LGA    N    47_A      N    47_A     0.695     0    0.025   0.100     0.999   90.476   90.476
LGA    K    48_A      K    48_A     0.579     0    0.020   0.699     2.476   90.476   89.735
LGA    Y    49_A      Y    49_A     0.622     0    0.039   0.143     0.746   90.476   93.651
LGA    K    50_A      K    50_A     0.601     0    0.017   0.082     0.784   90.476   92.593
LGA    Y    51_A      Y    51_A     0.658     0    0.017   0.139     1.581   92.857   85.278
LGA    Y    52_A      Y    52_A     0.443     0    0.166   0.192     1.304   90.714   94.524
LGA    S    53_A      S    53_A     2.199     0    0.204   0.671     5.090   61.667   55.000
LGA    G    54_A      G    54_A     2.410     0    0.065   0.065     3.126   59.405   59.405
LGA    S    55_A      S    55_A     5.095     0    0.106   0.169     7.336   37.619   29.603
LGA    A    56_A      A    56_A     4.640     0    0.183   0.178     5.659   37.381   34.190
LGA    S    57_A      S    57_A     4.025     0    0.620   0.898     7.533   47.262   35.556
LGA    E    58_A      E    58_A     3.827     0    0.655   1.119    12.113   51.905   25.820
LGA    A    59_A      A    59_A     2.416     0    0.112   0.125     2.905   66.905   64.952
LGA    D    60_A      D    60_A     0.692     0    0.290   0.966     2.844   90.476   77.738
LGA    Y    61_A      Y    61_A     0.973     0    0.035   0.089     1.042   88.214   89.722
LGA    R    62_A      R    62_A     0.980     0    0.030   1.174     6.818   90.476   60.736
LGA    L    63_A      L    63_A     0.694     0    0.022   1.012     3.009   90.476   83.214
LGA    A    64_A      A    64_A     0.580     0    0.029   0.039     0.604   92.857   92.381
LGA    C    65_A      C    65_A     0.580     0    0.034   0.081     0.630   92.857   92.063
LGA    F    66_A      F    66_A     0.487     0    0.024   0.081     0.764   97.619   93.074
LGA    A    67_A      A    67_A     0.348     0    0.017   0.028     0.425  100.000  100.000
LGA    H    68_A      H    68_A     0.306     0    0.030   0.069     0.407  100.000  100.000
LGA    L    69_A      L    69_A     0.329     0    0.027   0.055     0.433  100.000  100.000
LGA    A    70_A      A    70_A     0.323     0    0.008   0.011     0.393  100.000  100.000
LGA    K    71_A      K    71_A     0.262     0    0.033   0.610     2.746  100.000   93.122
LGA    A    72_A      A    72_A     0.244     0    0.055   0.066     0.326  100.000  100.000
LGA    M    73_A      M    73_A     0.455     0    0.026   0.076     0.567   97.619   96.429
LGA    M    74_A      M    74_A     0.425     0    0.072   0.817     2.335  100.000   92.024
LGA    D    75_A      D    75_A     0.252     0    0.012   0.219     0.767  100.000   98.810
LGA    Y    76_A      Y    76_A     0.366     0    0.044   0.125     1.009   97.619   92.897
LGA    A    77_A      A    77_A     0.500     0    0.025   0.026     0.664   92.857   92.381
LGA    S    78_A      S    78_A     0.662     0    0.054   0.612     2.214   90.476   86.190
LGA    N    79_A      N    79_A     0.635     0    0.011   0.173     0.715   90.476   92.857
LGA    H    80_A      H    80_A     0.569     0    0.040   0.644     1.685   90.476   84.286
LGA    N    81_A      N    81_A     0.575     0    0.010   1.351     3.767   90.476   77.321
LGA    D    82_A      D    82_A     0.331     0    0.018   0.084     0.642   97.619   98.810
LGA    T    83_A      T    83_A     0.575     0    0.068   0.979     2.589   97.619   87.279
LGA    L    84_A      L    84_A     0.279     0    0.116   0.116     1.207   97.619   92.917
LGA    Y    85_A      Y    85_A     0.285     0    0.025   0.075     0.516  100.000   99.206
LGA    T    86_A      T    86_A     0.259     0    0.055   1.027     2.486  100.000   91.088
LGA    P    87_A      P    87_A     0.247     0    0.033   0.288     0.752   97.619   95.918
LGA    P    88_A      P    88_A     0.717     0    0.109   0.246     0.979   90.476   91.837
LGA    T    89_A      T    89_A     1.352     0    0.063   0.268     2.756   83.690   76.803
LGA    V    90_A      V    90_A     1.482     0    0.169   0.252     2.151   75.119   74.218

# 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):     1.210          1.136                  1.605           90.788   87.069

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     89    1.15    94.722    97.135     7.124

LGA_LOCAL      RMSD:   1.149  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.212  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.210  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.729419 * X  +  -0.620483 * Y  +   0.288008 * Z  + -12.472612
  Y_new =  -0.093827 * X  +  -0.326295 * Y  +  -0.940600 * Z  +  20.882570
  Z_new =   0.677602 * X  +  -0.713114 * Y  +   0.179788 * Z  +  -5.900141 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.013663 -0.744497 -1.323827   [DEG: -172.6702  -42.6565  -75.8497 ]
ZXZ:  0.297131  1.390026  2.381724   [DEG:   17.0244   79.6426  136.4627 ]
 
# END of job
