
#######################################################
#                                                     #
#                        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  123 (  952),  selected  107 , name one
# Molecule2: number of CA atoms  108 (  820),  selected  107 , 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:   107      17_A - 123_A       0.75     0.75
  LCS_AVERAGE:     99.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107      17_A - 123_A       0.75     0.75
  LCS_AVERAGE:     99.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107      17_A - 123_A       0.75     0.75
  LCS_AVERAGE:     99.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  107
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     S    17_A     S    17_A    107  107  107      0    3   67   89  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    18_A     K    18_A    107  107  107      3    3    4   92  104  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I    19_A     I    19_A    107  107  107     16  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     T    20_A     T    20_A    107  107  107     56  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    21_A     S    21_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I    22_A     I    22_A    107  107  107     30  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    23_A     L    23_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     N    24_A     N    24_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     P    25_A     P    25_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    26_A     A    26_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    27_A     D    27_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I    28_A     I    28_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     T    29_A     T    29_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    30_A     K    30_A    107  107  107     46  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    31_A     A    31_A    107  107  107     65  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    32_A     L    32_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    33_A     E    33_A    107  107  107     50  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     Q    34_A     Q    34_A    107  107  107     13  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     C    35_A     C    35_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    36_A     A    36_A    107  107  107      4   36  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    37_A     A    37_A    107  107  107      4    6   76  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G    38_A     G    38_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    39_A     F    39_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     H    40_A     H    40_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     H    41_A     H    41_A    107  107  107     65  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     T    42_A     T    42_A    107  107  107     58  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    43_A     A    43_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    44_A     F    44_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    45_A     F    45_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    46_A     K    46_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    47_A     A    47_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    48_A     S    48_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G    49_A     G    49_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    50_A     L    50_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    51_A     S    51_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    52_A     K    52_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    53_A     K    53_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    54_A     S    54_A    107  107  107     65  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    55_A     D    55_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    56_A     A    56_A    107  107  107     53  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    57_A     E    57_A    107  107  107     54  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    58_A     L    58_A    107  107  107     54  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    59_A     A    59_A    107  107  107     64  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    60_A     E    60_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I    61_A     I    61_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    62_A     F    62_A    107  107  107     64  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     N    63_A     N    63_A    107  107  107     64  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     V    64_A     V    64_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    65_A     L    65_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    66_A     D    66_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G    67_A     G    67_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    68_A     D    68_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     Q    69_A     Q    69_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    70_A     S    70_A    107  107  107     58  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G    71_A     G    71_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     Y    72_A     Y    72_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I    73_A     I    73_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    74_A     E    74_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     V    75_A     V    75_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    76_A     E    76_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    77_A     E    77_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    78_A     L    78_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    79_A     K    79_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     N    80_A     N    80_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    81_A     F    81_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    82_A     L    82_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    83_A     K    83_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     C    84_A     C    84_A    107  107  107     65  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F    85_A     F    85_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    86_A     S    86_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    87_A     D    87_A    107  107  107     52  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G    88_A     G    88_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A    89_A     A    89_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     R    90_A     R    90_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     V    91_A     V    91_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L    92_A     L    92_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     N    93_A     N    93_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D    94_A     D    94_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K    95_A     K    95_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E    96_A     E    96_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     T    97_A     T    97_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S    98_A     S    98_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     N    99_A     N    99_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F   100_A     F   100_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     L   101_A     L   101_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A   102_A     A   102_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A   103_A     A   103_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G   104_A     G   104_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D   105_A     D   105_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S   106_A     S   106_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D   107_A     D   107_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G   108_A     G   108_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D   109_A     D   109_A    107  107  107     50  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     H   110_A     H   110_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K   111_A     K   111_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     I   112_A     I   112_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     G   113_A     G   113_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     V   114_A     V   114_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     D   115_A     D   115_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     E   116_A     E   116_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     F   117_A     F   117_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K   118_A     K   118_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     S   119_A     S   119_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     M   120_A     M   120_A    107  107  107     68  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     A   121_A     A   121_A    107  107  107     50  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     K   122_A     K   122_A    107  107  107     50  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_GDT     M   123_A     M   123_A    107  107  107     37  102  104  105  106  106  107  107  107  107  107  107  107  107  107  107  107  107  107  107 
LCS_AVERAGE  LCS_A:  99.07  (  99.07   99.07   99.07 )

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     68    102    104    105    106    106    107    107    107    107    107    107    107    107    107    107    107    107    107    107 
GDT PERCENT_AT  62.96  94.44  96.30  97.22  98.15  98.15  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07  99.07
GDT RMS_LOCAL    0.36   0.52   0.55   0.60   0.68   0.68   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75
GDT RMS_ALL_AT   0.78   0.76   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75

# Checking swapping
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  E    76_A      E    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    17_A      S    17_A     3.423     0    0.276   0.623     5.699   48.571   41.984
LGA    K    18_A      K    18_A     3.358     0    0.616   0.601    14.510   65.238   32.487
LGA    I    19_A      I    19_A     1.142     0    0.175   0.918     2.665   84.167   78.690
LGA    T    20_A      T    20_A     0.926     0    0.057   0.085     2.154   90.476   81.769
LGA    S    21_A      S    21_A     0.392     0    0.104   0.101     1.240   92.976   92.143
LGA    I    22_A      I    22_A     0.651     0    0.056   0.646     1.885   97.619   89.583
LGA    L    23_A      L    23_A     0.504     0    0.032   0.030     0.877   92.857   91.667
LGA    N    24_A      N    24_A     0.502     0    0.041   1.087     3.739   95.238   78.690
LGA    P    25_A      P    25_A     0.616     0    0.005   0.078     0.682   90.476   91.837
LGA    A    26_A      A    26_A     0.569     0    0.054   0.061     0.612   92.857   92.381
LGA    D    27_A      D    27_A     0.546     0    0.038   0.111     0.652   90.476   90.476
LGA    I    28_A      I    28_A     0.406     0    0.023   0.065     0.529  100.000   98.810
LGA    T    29_A      T    29_A     0.345     0    0.058   0.060     0.489  100.000  100.000
LGA    K    30_A      K    30_A     0.684     0    0.042   1.072     4.319   92.857   80.106
LGA    A    31_A      A    31_A     0.552     0    0.026   0.026     0.623   95.238   94.286
LGA    L    32_A      L    32_A     0.171     0    0.033   0.043     0.534  100.000   98.810
LGA    E    33_A      E    33_A     0.647     0    0.023   0.934     3.304   92.857   79.683
LGA    Q    34_A      Q    34_A     1.182     0    0.014   1.158     2.490   85.952   79.788
LGA    C    35_A      C    35_A     0.645     0    0.097   0.784     1.714   88.214   86.032
LGA    A    36_A      A    36_A     1.736     0    0.034   0.042     2.640   71.310   70.000
LGA    A    37_A      A    37_A     2.301     0    0.279   0.287     3.294   63.095   63.429
LGA    G    38_A      G    38_A     0.193     0    0.067   0.067     0.596   97.619   97.619
LGA    F    39_A      F    39_A     0.215     0    0.020   0.089     0.448  100.000  100.000
LGA    H    40_A      H    40_A     0.099     0    0.035   0.062     0.533  100.000   99.048
LGA    H    41_A      H    41_A     0.421     0    0.047   0.370     2.197  100.000   86.381
LGA    T    42_A      T    42_A     0.509     0    0.030   1.124     2.836   95.238   85.918
LGA    A    43_A      A    43_A     0.401     0    0.018   0.028     0.468  100.000  100.000
LGA    F    44_A      F    44_A     0.161     0    0.037   0.065     0.538  100.000   99.134
LGA    F    45_A      F    45_A     0.180     0    0.042   0.714     2.892  100.000   88.701
LGA    K    46_A      K    46_A     0.318     0    0.069   0.094     0.972   97.619   94.709
LGA    A    47_A      A    47_A     0.427     0    0.022   0.044     0.575   97.619   96.190
LGA    S    48_A      S    48_A     0.413     0    0.023   0.048     0.413  100.000  100.000
LGA    G    49_A      G    49_A     0.399     0    0.026   0.026     0.468  100.000  100.000
LGA    L    50_A      L    50_A     0.367     0    0.028   0.082     0.555  100.000   97.619
LGA    S    51_A      S    51_A     0.287     0    0.163   0.175     0.835   97.619   95.238
LGA    K    52_A      K    52_A     0.392     0    0.056   0.689     4.279  100.000   80.847
LGA    K    53_A      K    53_A     0.371     0    0.011   0.678     2.523  100.000   89.206
LGA    S    54_A      S    54_A     0.472     0    0.033   0.102     0.526   97.619   95.238
LGA    D    55_A      D    55_A     0.784     0    0.114   0.773     3.669   92.857   76.369
LGA    A    56_A      A    56_A     0.598     0    0.145   0.149     1.015   88.214   88.667
LGA    E    57_A      E    57_A     0.608     0    0.034   0.748     3.378   90.476   79.683
LGA    L    58_A      L    58_A     0.577     0    0.043   0.204     0.748   90.476   91.667
LGA    A    59_A      A    59_A     0.496     0    0.023   0.023     0.558   97.619   98.095
LGA    E    60_A      E    60_A     0.739     0    0.069   1.108     5.870   90.476   63.598
LGA    I    61_A      I    61_A     0.755     0    0.027   0.600     2.025   90.476   87.262
LGA    F    62_A      F    62_A     0.460     0    0.025   0.098     0.572   97.619   99.134
LGA    N    63_A      N    63_A     0.524     0    0.028   0.176     1.199   92.857   90.536
LGA    V    64_A      V    64_A     0.841     0    0.067   1.191     3.928   90.476   82.449
LGA    L    65_A      L    65_A     0.753     0    0.067   0.059     0.999   90.476   90.476
LGA    D    66_A      D    66_A     0.630     0    0.052   0.140     0.716   92.857   95.238
LGA    G    67_A      G    67_A     0.769     0    0.017   0.017     0.976   90.476   90.476
LGA    D    68_A      D    68_A     1.038     0    0.093   0.200     1.162   88.214   84.821
LGA    Q    69_A      Q    69_A     0.848     0    0.065   1.046     3.063   90.476   77.354
LGA    S    70_A      S    70_A     0.630     0    0.025   0.099     0.946   95.238   93.651
LGA    G    71_A      G    71_A     0.279     0    0.040   0.040     0.462  100.000  100.000
LGA    Y    72_A      Y    72_A     0.400     0    0.034   0.162     0.955   95.238   94.444
LGA    I    73_A      I    73_A     0.343     0    0.015   0.040     0.449  100.000  100.000
LGA    E    74_A      E    74_A     0.283     0    0.064   0.150     1.219  100.000   93.704
LGA    V    75_A      V    75_A     0.247     0    0.046   0.067     0.364  100.000  100.000
LGA    E    76_A      E    76_A     0.273     0    0.047   1.094     4.361  100.000   80.476
LGA    E    77_A      E    77_A     0.232     0    0.039   0.119     0.467  100.000  100.000
LGA    L    78_A      L    78_A     0.235     0    0.026   1.312     2.624  100.000   87.917
LGA    K    79_A      K    79_A     0.277     0    0.044   0.356     1.578  100.000   94.921
LGA    N    80_A      N    80_A     0.342     0    0.017   0.163     1.073  100.000   95.298
LGA    F    81_A      F    81_A     0.203     0    0.027   0.067     0.413  100.000  100.000
LGA    L    82_A      L    82_A     0.484     0    0.045   0.091     0.615  100.000   96.429
LGA    K    83_A      K    83_A     0.516     0    0.012   0.643     2.208   92.857   89.735
LGA    C    84_A      C    84_A     0.663     0    0.049   0.047     0.878   90.476   90.476
LGA    F    85_A      F    85_A     0.542     0    0.028   0.059     0.688   90.476   94.805
LGA    S    86_A      S    86_A     0.644     0    0.051   0.084     0.682   90.476   93.651
LGA    D    87_A      D    87_A     0.876     0    0.045   1.115     4.143   90.476   76.250
LGA    G    88_A      G    88_A     0.552     0    0.066   0.066     0.734   90.476   90.476
LGA    A    89_A      A    89_A     0.480     0    0.065   0.062     0.535   97.619   98.095
LGA    R    90_A      R    90_A     0.491     0    0.043   0.126     0.491  100.000  100.000
LGA    V    91_A      V    91_A     0.298     0    0.056   0.072     0.517  100.000   98.639
LGA    L    92_A      L    92_A     0.426     0    0.040   0.056     0.444  100.000  100.000
LGA    N    93_A      N    93_A     0.523     0    0.024   0.120     0.560   92.857   95.238
LGA    D    94_A      D    94_A     0.509     0    0.049   0.103     0.685   90.476   91.667
LGA    K    95_A      K    95_A     0.538     0    0.027   0.106     0.593   90.476   93.651
LGA    E    96_A      E    96_A     0.549     0    0.019   0.073     0.572   90.476   95.767
LGA    T    97_A      T    97_A     0.495     0    0.030   0.088     0.634   97.619   94.558
LGA    S    98_A      S    98_A     0.321     0    0.041   0.703     1.932  100.000   95.476
LGA    N    99_A      N    99_A     0.475     0    0.031   0.037     0.563  100.000   95.238
LGA    F   100_A      F   100_A     0.577     0    0.024   0.462     1.510   90.476   88.052
LGA    L   101_A      L   101_A     0.495     0    0.043   0.066     0.527   97.619   97.619
LGA    A   102_A      A   102_A     0.420     0    0.023   0.026     0.472  100.000  100.000
LGA    A   103_A      A   103_A     0.524     0    0.061   0.065     0.543   95.238   94.286
LGA    G   104_A      G   104_A     0.752     0    0.037   0.037     0.752   90.476   90.476
LGA    D   105_A      D   105_A     0.473     0    0.025   0.267     0.903   95.238   95.238
LGA    S   106_A      S   106_A     0.459     0    0.018   0.101     0.693   97.619   95.238
LGA    D   107_A      D   107_A     0.464     0    0.085   0.399     2.437   92.976   87.381
LGA    G   108_A      G   108_A     0.367     0    0.106   0.106     0.493  100.000  100.000
LGA    D   109_A      D   109_A     0.582     0    0.078   0.188     1.021   90.595   91.726
LGA    H   110_A      H   110_A     0.681     0    0.066   0.364     1.831   95.238   87.952
LGA    K   111_A      K   111_A     0.321     0    0.052   0.113     0.528  100.000   98.942
LGA    I   112_A      I   112_A     0.345     0    0.042   0.617     2.597  100.000   94.643
LGA    G   113_A      G   113_A     0.285     0    0.030   0.030     0.438  100.000  100.000
LGA    V   114_A      V   114_A     0.231     0    0.043   0.065     0.662  100.000   98.639
LGA    D   115_A      D   115_A     0.230     0    0.022   0.109     0.664  100.000   96.429
LGA    E   116_A      E   116_A     0.139     0    0.033   0.098     0.452  100.000  100.000
LGA    F   117_A      F   117_A     0.202     0    0.032   0.098     0.537  100.000   98.268
LGA    K   118_A      K   118_A     0.359     0    0.035   0.624     1.301  100.000   92.698
LGA    S   119_A      S   119_A     0.424     0    0.053   0.622     1.921   97.619   93.889
LGA    M   120_A      M   120_A     0.532     0    0.147   1.097     2.272   92.857   85.119
LGA    A   121_A      A   121_A     0.588     0    0.052   0.054     0.621   92.857   92.381
LGA    K   122_A      K   122_A     0.650     0    0.035   0.715     1.468   90.476   87.460
LGA    M   123_A      M   123_A     0.691     0    0.678   0.886     3.436   81.786   78.869

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      107     428    428  100.00     813    813  100.00               108
SUMMARY(RMSD_GDC):     0.752          0.755                  1.365           93.372   89.724

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  108    4.0    107    0.75    97.454    98.254    12.559

LGA_LOCAL      RMSD:   0.752  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.752  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   0.752  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.882671 * X  +  -0.458666 * Y  +  -0.102558 * Z  +  -4.469595
  Y_new =   0.450229 * X  +   0.887791 * Y  +  -0.095510 * Z  +   2.596690
  Z_new =   0.134858 * X  +   0.038130 * Y  +   0.990131 * Z  +  19.273441 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.471675 -0.135270  0.038491   [DEG:   27.0250   -7.7504    2.2054 ]
ZXZ: -0.820965  0.140607  1.295248   [DEG:  -47.0379    8.0562   74.2123 ]
 
# END of job
