
#######################################################
#                                                     #
#                        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       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  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     19  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     69  107  117  119  119  121  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  107  117  119  119  121  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     70  107  117  119  119  121  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      7   97  112  119  119  121  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      3    4    4   20   93  121  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     45  107  117  119  119  121  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      7   73  117  119  119  121  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     67  107  117  119  119  121  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     62  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     69  107  117  119  119  121  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     66  107  117  119  119  121  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     69  107  117  119  119  121  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     69  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     60  107  117  119  119  121  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     68  107  117  119  119  121  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     70  107  117  119  119  121  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     32   93  112  119  119  121  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     66  107  117  119  119  121  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  107  117  119  119  121  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     70  107  117  119  119  121  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     69  107  117  119  119  121  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  107  117  119  119  121  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     61  107  117  119  119  121  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     61  107  117  119  119  121  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     61  107  117  119  119  121  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     69  107  117  119  119  121  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     69  107  117  119  119  121  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     68  107  117  119  119  121  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     69  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     68  107  117  119  119  121  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     66  107  117  119  119  121  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  106  117  119  119  121  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     69  107  117  119  119  121  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  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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  107  117  119  119  121  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     40   95  117  119  119  121  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   87  117  119  119  121  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     16   87  117  119  119  121  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  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     43  107  117  119  119  121  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     40  107  117  119  119  121  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     27   87  117  119  119  121  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      6   83  117  119  119  121  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     27   94  117  119  119  121  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  121  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     62  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     70  107  117  119  119  121  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     66  107  117  119  119  121  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      0    3   34   93  111  121  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     70    107    117    119    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  57.85  88.43  96.69  98.35  98.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.50   0.65   0.69   0.69   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.84   0.83   0.82   0.82   0.82   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# Checking swapping
#   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     0.900     0    0.166   1.133     5.243   90.476   68.095
LGA    T    12_B      T    12_C     0.318     0    0.043   1.127     2.617   97.619   86.395
LGA    D    13_B      D    13_C     0.153     0    0.051   1.170     4.307  100.000   83.333
LGA    K    14_B      K    14_C     0.086     0    0.020   0.579     3.160  100.000   88.413
LGA    L    15_B      L    15_C     0.195     0    0.047   0.107     0.418  100.000  100.000
LGA    W    16_B      W    16_C     0.324     0    0.067   0.083     1.103  100.000   91.939
LGA    Y    17_B      Y    17_C     0.267     0    0.038   0.193     1.255  100.000   93.770
LGA    I    18_B      I    18_C     0.314     0    0.020   0.055     0.366  100.000  100.000
LGA    L    19_B      L    19_C     0.304     0    0.023   0.060     0.545  100.000   98.810
LGA    Q    20_B      Q    20_C     0.323     0    0.037   1.264     3.191  100.000   83.651
LGA    E    21_B      E    21_C     0.453     0    0.014   1.082     5.371  100.000   74.127
LGA    L    22_B      L    22_C     0.702     0    0.044   1.385     3.112   90.476   81.071
LGA    T    23_B      T    23_C     0.713     0    0.047   0.089     0.887   90.476   90.476
LGA    S    24_B      S    24_C     0.524     0    0.061   0.088     1.402   90.476   87.460
LGA    N    25_B      N    25_C     1.755     0    0.492   0.858     6.136   69.286   53.452
LGA    R    26_B      R    26_C     3.236     0    0.612   1.175     7.419   50.357   33.766
LGA    G    27_B      G    27_C     0.961     0    0.092   0.092     1.176   85.952   85.952
LGA    D    28_B      D    28_C     1.494     0    0.207   1.004     2.596   85.952   75.417
LGA    I    29_B      I    29_C     0.614     0    0.032   0.061     1.219   90.476   89.345
LGA    Q    30_B      Q    30_C     0.654     0    0.071   0.163     1.702   95.238   87.619
LGA    G    31_B      G    31_C     0.376     0    0.037   0.037     0.515   97.619   97.619
LGA    C    32_B      C    32_C     0.462     0    0.012   0.752     1.924  100.000   93.889
LGA    T    33_B      T    33_C     0.299     0    0.035   0.116     0.546  100.000   98.639
LGA    I    34_B      I    34_C     0.281     0    0.024   0.063     0.326  100.000  100.000
LGA    V    35_B      V    35_C     0.441     0    0.054   1.119     2.543  100.000   88.639
LGA    T    36_B      T    36_C     0.278     0    0.024   0.056     0.553  100.000   98.639
LGA    T    37_B      T    37_C     0.286     0    0.026   0.082     0.840  100.000   97.279
LGA    Q    38_B      Q    38_C     0.478     0    0.063   1.054     4.253   95.238   85.767
LGA    G    39_B      G    39_C     0.647     0    0.016   0.016     0.922   90.476   90.476
LGA    L    40_B      L    40_C     0.820     0    0.026   0.048     1.676   92.857   85.000
LGA    P    41_B      P    41_C     0.608     0    0.035   0.296     0.940   97.619   94.558
LGA    I    42_B      I    42_C     0.568     0    0.026   0.084     0.614   90.476   90.476
LGA    T    43_B      T    43_C     0.484     0    0.031   0.041     0.524  100.000   97.279
LGA    S    44_B      S    44_C     0.322     0    0.051   0.585     2.253   97.619   92.540
LGA    L    45_B      L    45_C     0.548     0    0.120   0.690     2.223   92.857   88.452
LGA    L    46_B      L    46_C     0.734     0    0.028   0.072     0.985   90.476   90.476
LGA    A    47_B      A    47_C     0.780     0    0.029   0.033     0.983   90.476   90.476
LGA    D    48_B      D    48_C     0.414     0    0.032   0.097     1.186   90.595   94.107
LGA    D    49_B      D    49_C     1.718     0    0.100   0.861     2.680   79.286   75.238
LGA    A    50_B      A    50_C     1.038     0    0.120   0.141     1.223   81.429   83.238
LGA    N    51_B      N    51_C     1.008     0    0.066   0.132     1.473   83.690   82.560
LGA    V    52_B      V    52_C     0.516     0    0.012   0.070     0.625   90.476   91.837
LGA    S    53_B      S    53_C     0.726     0    0.019   0.646     2.870   88.214   83.413
LGA    L    54_B      L    54_C     0.993     0    0.029   0.091     1.132   85.952   87.083
LGA    I    55_B      I    55_C     0.933     0    0.018   0.029     0.965   90.476   90.476
LGA    S    56_B      S    56_C     0.876     0    0.037   0.064     1.131   88.214   88.968
LGA    A    57_B      A    57_C     0.913     0    0.022   0.021     0.980   90.476   90.476
LGA    M    58_B      M    58_C     0.760     0    0.033   0.882     3.211   90.476   81.250
LGA    S    59_B      S    59_C     0.744     0    0.024   0.639     2.967   90.476   84.921
LGA    A    60_B      A    60_C     0.753     0    0.027   0.031     0.826   90.476   90.476
LGA    A    61_B      A    61_C     0.833     0    0.019   0.017     0.917   90.476   90.476
LGA    I    62_B      I    62_C     0.678     0    0.020   0.064     1.011   95.238   91.726
LGA    I    63_B      I    63_C     0.373     0    0.027   0.555     1.683  100.000   96.607
LGA    S    64_B      S    64_C     0.519     0    0.036   0.716     2.484   92.857   87.778
LGA    V    65_B      V    65_C     0.335     0    0.026   0.062     0.486  100.000  100.000
LGA    A    66_B      A    66_C     0.371     0    0.034   0.037     0.470  100.000  100.000
LGA    E    67_B      E    67_C     0.424     0    0.020   1.191     4.563  100.000   82.434
LGA    S    68_B      S    68_C     0.322     0    0.014   0.690     2.248  100.000   94.127
LGA    A    69_B      A    69_C     0.175     0    0.015   0.013     0.294  100.000  100.000
LGA    S    70_B      S    70_C     0.364     0    0.026   0.136     0.490  100.000  100.000
LGA    Q    71_B      Q    71_C     0.538     0    0.029   0.659     3.096   97.619   77.249
LGA    E    72_B      E    72_C     0.460     0    0.044   0.744     2.125  100.000   88.942
LGA    L    73_B      L    73_C     0.489     0    0.045   0.222     0.759   97.619   96.429
LGA    Q    74_B      Q    74_C     0.372     0    0.097   0.238     2.091   97.619   89.841
LGA    R    75_B      R    75_C     0.564     0    0.101   1.234     2.334   92.857   82.641
LGA    G    76_B      G    76_C     0.596     0    0.088   0.088     0.596   95.238   95.238
LGA    Y    77_B      Y    77_C     1.178     0    0.088   0.110     3.032   85.952   70.675
LGA    L    78_B      L    78_C     0.443     0    0.131   0.200     0.742   92.857   95.238
LGA    Q    79_B      Q    79_C     0.771     0    0.060   0.929     2.204   95.238   84.815
LGA    R    80_B      R    80_C     0.497     0    0.095   0.780     2.921   95.238   85.887
LGA    I    81_B      I    81_C     0.547     0    0.013   0.718     3.027   90.476   86.607
LGA    L    82_B      L    82_C     0.378     0    0.062   0.099     1.086   97.619   91.786
LGA    L    83_B      L    83_C     0.159     0    0.043   0.768     1.855  100.000   93.214
LGA    E    84_B      E    84_C     0.149     0    0.062   0.639     2.561   97.619   90.000
LGA    G    85_B      G    85_C     0.890     0    0.037   0.037     0.974   90.476   90.476
LGA    E    86_B      E    86_C     1.298     0    0.040   0.722     2.572   79.286   74.921
LGA    L    87_B      L    87_C     1.689     0    0.048   0.044     2.175   72.857   70.833
LGA    G    88_B      G    88_C     1.731     0    0.025   0.025     1.731   77.143   77.143
LGA    T    89_B      T    89_C     0.991     0    0.060   0.127     1.276   85.952   85.306
LGA    I    90_B      I    90_C     0.368     0    0.031   0.060     0.435  100.000  100.000
LGA    I    91_B      I    91_C     0.150     0    0.016   0.086     0.693  100.000   98.810
LGA    I    92_B      I    92_C     0.390     0    0.041   0.051     0.424  100.000  100.000
LGA    S    93_B      S    93_C     0.452     0    0.015   0.162     0.786  100.000   98.413
LGA    K    94_B      K    94_C     0.231     0    0.037   0.341     2.124  100.000   92.963
LGA    A    95_B      A    95_C     0.263     0    0.037   0.039     0.399  100.000  100.000
LGA    G    96_B      G    96_C     0.223     0    0.076   0.076     0.473  100.000  100.000
LGA    P    97_B      P    97_C     0.238     0    0.063   0.077     0.468  100.000  100.000
LGA    H    98_B      H    98_C     0.283     0    0.027   1.153     3.005  100.000   87.905
LGA    A    99_B      A    99_C     0.076     0    0.033   0.030     0.314  100.000  100.000
LGA    I   100_B      I   100_C     0.395     0    0.042   1.181     2.717  100.000   85.655
LGA    L   101_B      L   101_C     0.200     0    0.009   0.068     0.348  100.000  100.000
LGA    V   102_B      V   102_C     0.218     0    0.014   0.074     0.341  100.000  100.000
LGA    S   103_B      S   103_C     0.131     0    0.039   0.086     0.274  100.000  100.000
LGA    L   104_B      L   104_C     0.471     0    0.010   0.081     1.086   95.238   91.726
LGA    V   105_B      V   105_C     0.880     0    0.089   1.185     2.735   90.476   82.041
LGA    D   106_B      D   106_C     0.961     0    0.022   0.909     2.693   85.952   78.571
LGA    K   107_B      K   107_C     1.605     0    0.059   1.090     8.198   75.000   55.291
LGA    D   108_B      D   108_C     1.804     0    0.069   0.186     2.315   72.857   69.821
LGA    A   109_B      A   109_C     1.359     0    0.092   0.108     1.556   79.286   79.714
LGA    K   110_B      K   110_C     1.055     0    0.099   1.428     7.850   83.690   61.429
LGA    L   111_B      L   111_C     0.572     0    0.070   1.374     3.404   95.238   82.381
LGA    G   112_B      G   112_C     0.430     0    0.072   0.072     0.693   95.238   95.238
LGA    I   113_B      I   113_C     0.315     0    0.004   0.049     0.521  100.000   98.810
LGA    I   114_B      I   114_C     0.426     0    0.029   0.643     1.973  100.000   94.226
LGA    L   115_B      L   115_C     0.418     0    0.071   0.102     0.832  100.000   96.429
LGA    M   116_B      M   116_C     0.238     0    0.038   1.222     5.042  100.000   85.417
LGA    L   117_B      L   117_C     0.308     0    0.036   0.144     0.486  100.000  100.000
LGA    I   118_B      I   118_C     0.340     0    0.053   0.068     0.424  100.000  100.000
LGA    D   119_B      D   119_C     0.286     0    0.065   0.322     0.914   97.619   95.238
LGA    K   120_B      K   120_C     0.289     0    0.014   0.424     1.924  100.000   95.926
LGA    A   121_B      A   121_C     0.249     0    0.031   0.030     0.278  100.000  100.000
LGA    I   122_B      I   122_C     0.382     0    0.023   0.080     0.576   97.619   98.810
LGA    K   123_B      K   123_C     0.495     0    0.036   0.980     4.545   97.619   83.333
LGA    Q   124_B      Q   124_C     0.301     0    0.011   0.190     0.770  100.000   96.825
LGA    I   125_B      I   125_C     0.275     0    0.018   0.026     0.446  100.000  100.000
LGA    A   126_B      A   126_C     0.389     0    0.038   0.042     0.579   97.619   98.095
LGA    E   127_B      E   127_C     0.483     0    0.033   0.111     1.036  100.000   93.704
LGA    L   128_B      L   128_C     0.346     0    0.052   1.087     2.460   97.619   90.000
LGA    M   129_B      M   129_C     0.479     0    0.007   0.050     0.742   95.238   92.857
LGA    D   130_B      D   130_C     0.722     0    0.599   0.914     4.728   86.071   69.464
LGA    A   131_B      A   131_C     3.495     0    0.135   0.195     5.750   40.000   36.286

# 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):     0.811          0.848                  1.438           93.515   88.538

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.81    96.694    98.615    13.280

LGA_LOCAL      RMSD:   0.811  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.811  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.811  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.677268 * X  +  -0.197475 * Y  +   0.708740 * Z  +  21.428545
  Y_new =  -0.382227 * X  +  -0.728669 * Y  +  -0.568282 * Z  +  -5.162210
  Z_new =   0.628658 * X  +  -0.655778 * Y  +   0.418024 * Z  +  22.182493 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.627787 -0.679826 -1.003297   [DEG: -150.5611  -38.9512  -57.4847 ]
ZXZ:  0.894946  1.139528  2.377306   [DEG:   51.2767   65.2901  136.2096 ]
 
# END of job
