
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C    121  121  121     16  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     70  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     53  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     13   91  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      4    4    4   21   87  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     50  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121      6   81  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     56  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     59  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     37   97  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     70  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     62  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     62  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     70  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     70  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     66  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     29  105  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     67  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     48  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     48  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121     48  101  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121     10   83  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     10   81  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     29  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     25  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     48  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     25   83  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121      5   81  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     37   93  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     48  106  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     65  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     71  108  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      2    3   32   98  111  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     71    108    117    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  58.68  89.26  96.69  98.35  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.51   0.65   0.69   0.69   0.75   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.85   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.954     0    0.175   1.170     5.279   90.476   68.095
LGA    T    12_B      T    12_C     0.352     0    0.042   1.115     2.625   97.619   86.395
LGA    D    13_B      D    13_C     0.149     0    0.044   1.179     4.341  100.000   83.333
LGA    K    14_B      K    14_C     0.079     0    0.018   0.574     3.163  100.000   88.413
LGA    L    15_B      L    15_C     0.184     0    0.031   0.097     0.420  100.000  100.000
LGA    W    16_B      W    16_C     0.309     0    0.072   0.088     1.129  100.000   91.939
LGA    Y    17_B      Y    17_C     0.261     0    0.026   0.195     1.274  100.000   93.770
LGA    I    18_B      I    18_C     0.324     0    0.015   0.057     0.356  100.000  100.000
LGA    L    19_B      L    19_C     0.346     0    0.014   0.066     0.575  100.000   98.810
LGA    Q    20_B      Q    20_C     0.337     0    0.038   1.248     3.166  100.000   83.651
LGA    E    21_B      E    21_C     0.461     0    0.012   1.089     4.306  100.000   75.714
LGA    L    22_B      L    22_C     0.712     0    0.027   1.373     3.084   90.476   81.071
LGA    T    23_B      T    23_C     0.713     0    0.043   0.078     0.840   90.476   90.476
LGA    S    24_B      S    24_C     0.529     0    0.060   0.084     1.354   92.857   89.048
LGA    N    25_B      N    25_C     1.773     0    0.491   0.849     6.074   69.286   53.452
LGA    R    26_B      R    26_C     3.254     0    0.611   1.172     7.394   50.357   33.766
LGA    G    27_B      G    27_C     0.947     0    0.121   0.121     1.141   85.952   85.952
LGA    D    28_B      D    28_C     1.487     0    0.167   0.967     2.554   83.690   74.286
LGA    I    29_B      I    29_C     0.614     0    0.047   0.071     1.228   90.476   89.345
LGA    Q    30_B      Q    30_C     0.639     0    0.065   0.152     1.697   97.619   87.725
LGA    G    31_B      G    31_C     0.348     0    0.042   0.042     0.472  100.000  100.000
LGA    C    32_B      C    32_C     0.406     0    0.023   0.780     1.901  100.000   93.889
LGA    T    33_B      T    33_C     0.261     0    0.033   0.118     0.506  100.000   98.639
LGA    I    34_B      I    34_C     0.267     0    0.011   0.063     0.344  100.000  100.000
LGA    V    35_B      V    35_C     0.403     0    0.034   1.118     2.517  100.000   88.639
LGA    T    36_B      T    36_C     0.290     0    0.036   0.058     0.544  100.000   98.639
LGA    T    37_B      T    37_C     0.277     0    0.027   0.072     0.886  100.000   95.918
LGA    Q    38_B      Q    38_C     0.482     0    0.059   1.040     4.217   95.238   85.767
LGA    G    39_B      G    39_C     0.594     0    0.029   0.029     0.898   92.857   92.857
LGA    L    40_B      L    40_C     0.845     0    0.029   0.055     1.652   92.857   85.000
LGA    P    41_B      P    41_C     0.619     0    0.014   0.301     0.939   92.857   91.837
LGA    I    42_B      I    42_C     0.590     0    0.029   0.089     0.621   90.476   91.667
LGA    T    43_B      T    43_C     0.509     0    0.040   0.049     0.524   95.238   95.918
LGA    S    44_B      S    44_C     0.365     0    0.051   0.576     2.239   97.619   92.540
LGA    L    45_B      L    45_C     0.573     0    0.117   0.721     2.266   92.857   88.452
LGA    L    46_B      L    46_C     0.747     0    0.015   0.071     0.991   90.476   90.476
LGA    A    47_B      A    47_C     0.783     0    0.020   0.032     0.987   90.476   90.476
LGA    D    48_B      D    48_C     0.422     0    0.035   0.104     1.197   90.595   94.107
LGA    D    49_B      D    49_C     1.681     0    0.109   0.821     2.554   79.286   76.369
LGA    A    50_B      A    50_C     1.031     0    0.108   0.122     1.199   81.429   83.238
LGA    N    51_B      N    51_C     1.010     0    0.103   0.152     1.457   83.690   82.560
LGA    V    52_B      V    52_C     0.542     0    0.032   0.077     0.732   90.476   91.837
LGA    S    53_B      S    53_C     0.738     0    0.016   0.653     2.855   88.214   83.413
LGA    L    54_B      L    54_C     0.958     0    0.040   0.099     1.152   88.214   88.214
LGA    I    55_B      I    55_C     0.925     0    0.018   0.022     0.949   90.476   90.476
LGA    S    56_B      S    56_C     0.913     0    0.041   0.043     0.956   90.476   90.476
LGA    A    57_B      A    57_C     0.920     0    0.013   0.021     0.987   90.476   90.476
LGA    M    58_B      M    58_C     0.734     0    0.042   0.881     3.219   90.476   81.250
LGA    S    59_B      S    59_C     0.753     0    0.022   0.641     2.985   90.476   84.921
LGA    A    60_B      A    60_C     0.774     0    0.030   0.041     0.815   90.476   90.476
LGA    A    61_B      A    61_C     0.827     0    0.015   0.020     0.924   90.476   90.476
LGA    I    62_B      I    62_C     0.675     0    0.024   0.078     0.993   92.857   91.667
LGA    I    63_B      I    63_C     0.380     0    0.026   0.563     1.743  100.000   96.607
LGA    S    64_B      S    64_C     0.527     0    0.046   0.724     2.445   92.857   87.778
LGA    V    65_B      V    65_C     0.340     0    0.025   0.058     0.477  100.000  100.000
LGA    A    66_B      A    66_C     0.353     0    0.020   0.030     0.455  100.000  100.000
LGA    E    67_B      E    67_C     0.426     0    0.024   1.193     4.555  100.000   81.587
LGA    S    68_B      S    68_C     0.309     0    0.030   0.746     2.363  100.000   94.127
LGA    A    69_B      A    69_C     0.147     0    0.016   0.016     0.253  100.000  100.000
LGA    S    70_B      S    70_C     0.388     0    0.013   0.070     0.554  100.000   98.413
LGA    Q    71_B      Q    71_C     0.596     0    0.040   0.641     3.142   95.238   76.190
LGA    E    72_B      E    72_C     0.503     0    0.046   0.742     2.107   95.238   86.825
LGA    L    73_B      L    73_C     0.455     0    0.054   0.219     0.743   95.238   95.238
LGA    Q    74_B      Q    74_C     0.346     0    0.088   0.232     2.072   97.619   89.841
LGA    R    75_B      R    75_C     0.609     0    0.121   1.252     2.345   92.857   82.641
LGA    G    76_B      G    76_C     0.612     0    0.084   0.084     0.612   95.238   95.238
LGA    Y    77_B      Y    77_C     1.165     0    0.089   0.106     3.052   85.952   70.675
LGA    L    78_B      L    78_C     0.454     0    0.113   0.174     0.744   92.857   95.238
LGA    Q    79_B      Q    79_C     0.816     0    0.058   0.933     2.225   95.238   84.815
LGA    R    80_B      R    80_C     0.511     0    0.080   0.785     2.871   92.857   84.199
LGA    I    81_B      I    81_C     0.550     0    0.008   0.722     3.033   95.238   87.798
LGA    L    82_B      L    82_C     0.389     0    0.051   0.113     1.072   97.619   91.786
LGA    L    83_B      L    83_C     0.218     0    0.048   0.773     1.833  100.000   93.214
LGA    E    84_B      E    84_C     0.180     0    0.063   0.618     2.544   97.619   90.000
LGA    G    85_B      G    85_C     0.918     0    0.035   0.035     1.007   88.214   88.214
LGA    E    86_B      E    86_C     1.283     0    0.039   0.716     2.562   79.286   75.873
LGA    L    87_B      L    87_C     1.672     0    0.029   0.040     2.185   72.857   70.833
LGA    G    88_B      G    88_C     1.759     0    0.040   0.040     1.759   77.143   77.143
LGA    T    89_B      T    89_C     0.990     0    0.059   0.122     1.335   85.952   85.306
LGA    I    90_B      I    90_C     0.333     0    0.013   0.060     0.426  100.000  100.000
LGA    I    91_B      I    91_C     0.100     0    0.038   0.086     0.694  100.000   98.810
LGA    I    92_B      I    92_C     0.354     0    0.035   0.054     0.422  100.000  100.000
LGA    S    93_B      S    93_C     0.399     0    0.016   0.136     0.769  100.000   98.413
LGA    K    94_B      K    94_C     0.240     0    0.009   0.342     2.142  100.000   92.963
LGA    A    95_B      A    95_C     0.247     0    0.028   0.045     0.367  100.000  100.000
LGA    G    96_B      G    96_C     0.209     0    0.073   0.073     0.456  100.000  100.000
LGA    P    97_B      P    97_C     0.291     0    0.056   0.062     0.481  100.000  100.000
LGA    H    98_B      H    98_C     0.271     0    0.063   1.147     3.020  100.000   87.905
LGA    A    99_B      A    99_C     0.094     0    0.044   0.049     0.331  100.000  100.000
LGA    I   100_B      I   100_C     0.406     0    0.049   1.183     2.710  100.000   84.643
LGA    L   101_B      L   101_C     0.193     0    0.020   0.064     0.302  100.000  100.000
LGA    V   102_B      V   102_C     0.219     0    0.014   0.046     0.378  100.000  100.000
LGA    S   103_B      S   103_C     0.139     0    0.045   0.064     0.215  100.000  100.000
LGA    L   104_B      L   104_C     0.497     0    0.011   0.093     1.081   95.238   91.726
LGA    V   105_B      V   105_C     0.892     0    0.102   1.179     2.740   90.476   82.041
LGA    D   106_B      D   106_C     0.951     0    0.034   0.915     2.635   83.810   76.429
LGA    K   107_B      K   107_C     1.595     0    0.071   1.096     8.187   75.000   55.291
LGA    D   108_B      D   108_C     1.846     0    0.070   0.165     2.343   72.857   69.821
LGA    A   109_B      A   109_C     1.387     0    0.084   0.100     1.554   79.286   79.714
LGA    K   110_B      K   110_C     1.094     0    0.124   1.425     7.838   83.690   61.429
LGA    L   111_B      L   111_C     0.530     0    0.078   1.359     3.386   95.238   82.381
LGA    G   112_B      G   112_C     0.443     0    0.062   0.062     0.664   97.619   97.619
LGA    I   113_B      I   113_C     0.312     0    0.009   0.047     0.532  100.000   98.810
LGA    I   114_B      I   114_C     0.424     0    0.044   0.629     1.932  100.000   94.226
LGA    L   115_B      L   115_C     0.445     0    0.056   0.091     0.851  100.000   96.429
LGA    M   116_B      M   116_C     0.227     0    0.043   1.224     5.091  100.000   85.417
LGA    L   117_B      L   117_C     0.308     0    0.052   0.156     0.476  100.000  100.000
LGA    I   118_B      I   118_C     0.343     0    0.065   0.088     0.435  100.000  100.000
LGA    D   119_B      D   119_C     0.280     0    0.083   0.278     0.775   97.619   96.429
LGA    K   120_B      K   120_C     0.257     0    0.019   0.424     1.801  100.000   94.868
LGA    A   121_B      A   121_C     0.247     0    0.040   0.048     0.310  100.000  100.000
LGA    I   122_B      I   122_C     0.386     0    0.030   0.067     0.602   97.619   98.810
LGA    K   123_B      K   123_C     0.452     0    0.031   0.974     4.524   97.619   83.333
LGA    Q   124_B      Q   124_C     0.297     0    0.014   0.196     0.779  100.000   97.884
LGA    I   125_B      I   125_C     0.265     0    0.027   0.031     0.345  100.000  100.000
LGA    A   126_B      A   126_C     0.400     0    0.051   0.058     0.611   97.619   98.095
LGA    E   127_B      E   127_C     0.504     0    0.042   0.107     1.065   97.619   92.646
LGA    L   128_B      L   128_C     0.340     0    0.059   1.083     2.441   97.619   90.000
LGA    M   129_B      M   129_C     0.498     0    0.038   0.070     0.746   95.238   92.857
LGA    D   130_B      D   130_C     0.689     0    0.625   0.917     4.716   86.071   69.464
LGA    A   131_B      A   131_C     3.541     0    0.483   0.502     5.793   39.524   35.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.816          0.846                  1.434           93.415   88.511

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.82    96.901    98.630    13.212

LGA_LOCAL      RMSD:   0.816  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.816  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.816  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.677164 * X  +  -0.197722 * Y  +   0.708770 * Z  +  21.433622
  Y_new =  -0.382134 * X  +  -0.728654 * Y  +  -0.568363 * Z  +  -5.162099
  Z_new =   0.628826 * X  +  -0.655720 * Y  +   0.417862 * Z  +  22.183294 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.627825 -0.680042 -1.003432   [DEG: -150.5633  -38.9636  -57.4924 ]
ZXZ:  0.894897  1.139706  2.377128   [DEG:   51.2738   65.3003  136.1994 ]
 
# END of job
