
#######################################################
#                                                     #
#                        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       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      27_C - 130_C       0.97     1.14
  LCS_AVERAGE:     78.47

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     37  121  121     37   97  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     51   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121     57   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121     57   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121     61   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121     57   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     61   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121      3    4   90  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     37  121  121      3    4   46   96  106  116  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    104  121  121      3    4  102  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    104  121  121     37   97  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    104  121  121     29   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    104  121  121     32   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    104  121  121      4   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    104  121  121      4   57  105  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    104  121  121      4    7   68  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    104  121  121      5   15   24  107  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    104  121  121      4   50  105  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    104  121  121     27   96  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    104  121  121     45   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    104  121  121     35   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    104  121  121     27   95  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    104  121  121     34   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    104  121  121     27   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    104  121  121     32   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    104  121  121     60   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    104  121  121     50   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    104  121  121     32   97  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    104  121  121     29   96  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    104  121  121     14   76  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    104  121  121     12   63  107  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    104  121  121     14   70  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    104  121  121     14   61  107  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    104  121  121     12   34   90  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    104  121  121     14   65  107  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    104  121  121     20   87  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    104  121  121     60   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    104  121  121     64   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    104  121  121     46   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    104  121  121     32   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    104  121  121     32   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    104  121  121     36   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    104  121  121     28   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    104  121  121     32   94  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    104  121  121     37   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    104  121  121     57   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    104  121  121     61   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    104  121  121     57   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    104  121  121     61   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    104  121  121     64   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    104  121  121     54   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    104  121  121     60   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    104  121  121     65   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    104  121  121     46   98  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    104  121  121     40   89  109  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     81  121  121      3   10   17   28   49   63  113  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  92.82  (  78.47  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     65     98    109    115    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  53.72  80.99  90.08  95.04  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
GDT RMS_LOCAL    0.36   0.53   0.70   0.85   0.98   0.98   1.04   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12
GDT RMS_ALL_AT   1.22   1.22   1.16   1.14   1.13   1.13   1.13   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12

# Checking swapping
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     1.497     0    0.142   1.544     6.292   81.548   57.286
LGA    T    12_B      T    12_C     1.154     0    0.018   1.176     3.862   83.690   76.054
LGA    D    13_B      D    13_C     1.083     0    0.036   1.146     4.085   85.952   73.988
LGA    K    14_B      K    14_C     0.562     0    0.021   0.561     3.370   95.238   85.238
LGA    L    15_B      L    15_C     0.329     0    0.039   0.132     0.895  100.000   97.619
LGA    W    16_B      W    16_C     0.700     0    0.078   0.102     1.472   90.476   85.952
LGA    Y    17_B      Y    17_C     0.644     0    0.038   0.137     0.848   90.476   90.476
LGA    I    18_B      I    18_C     0.485     0    0.010   0.069     0.516   95.238   97.619
LGA    L    19_B      L    19_C     0.574     0    0.025   0.188     0.858   92.857   92.857
LGA    Q    20_B      Q    20_C     0.914     0    0.010   1.267     4.640   88.214   71.852
LGA    E    21_B      E    21_C     0.867     0    0.030   0.799     2.121   90.476   85.608
LGA    L    22_B      L    22_C     0.664     0    0.011   0.062     0.865   90.476   90.476
LGA    T    23_B      T    23_C     0.968     0    0.077   0.131     1.565   83.810   84.082
LGA    S    24_B      S    24_C     0.862     0    0.075   0.095     1.118   85.952   87.540
LGA    N    25_B      N    25_C     2.209     0    0.497   0.466     4.254   57.976   58.512
LGA    R    26_B      R    26_C     3.659     0    0.079   1.531    14.456   53.810   21.602
LGA    G    27_B      G    27_C     1.678     0    0.237   0.237     2.276   77.381   77.381
LGA    D    28_B      D    28_C     1.052     0    0.226   1.122     2.519   90.595   82.024
LGA    I    29_B      I    29_C     0.690     0    0.039   0.096     0.761   90.476   94.048
LGA    Q    30_B      Q    30_C     0.759     0    0.025   0.135     1.437   90.476   88.466
LGA    G    31_B      G    31_C     0.469     0    0.009   0.009     0.601   97.619   97.619
LGA    C    32_B      C    32_C     0.260     0    0.056   0.695     2.302   95.238   90.952
LGA    T    33_B      T    33_C     0.398     0    0.048   0.088     0.488  100.000  100.000
LGA    I    34_B      I    34_C     0.458     0    0.018   0.055     0.708  100.000   95.238
LGA    V    35_B      V    35_C     0.354     0    0.041   1.073     2.423   95.238   87.211
LGA    T    36_B      T    36_C     0.790     0    0.049   0.088     1.034   90.476   87.891
LGA    T    37_B      T    37_C     1.143     0    0.066   0.080     1.609   81.429   80.204
LGA    Q    38_B      Q    38_C     1.059     0    0.045   1.030     3.993   85.952   75.503
LGA    G    39_B      G    39_C     0.471     0    0.009   0.009     0.646   97.619   97.619
LGA    L    40_B      L    40_C     0.297     0    0.042   0.124     0.846  100.000   96.429
LGA    P    41_B      P    41_C     0.427     0    0.057   0.070     0.801   95.238   97.279
LGA    I    42_B      I    42_C     0.523     0    0.028   0.052     0.731   92.857   91.667
LGA    T    43_B      T    43_C     0.646     0    0.052   0.067     0.819   90.476   90.476
LGA    S    44_B      S    44_C     0.658     0    0.058   0.073     1.144   92.857   90.556
LGA    L    45_B      L    45_C     0.558     0    0.034   0.754     2.880   95.238   82.321
LGA    L    46_B      L    46_C     0.827     0    0.053   0.112     1.093   85.952   87.083
LGA    A    47_B      A    47_C     2.022     0    0.027   0.028     2.572   70.952   68.190
LGA    D    48_B      D    48_C     3.029     0    0.051   0.159     4.320   51.786   46.786
LGA    D    49_B      D    49_C     3.150     0    0.154   0.963     4.117   48.333   48.452
LGA    A    50_B      A    50_C     2.110     0    0.181   0.225     2.800   64.881   64.857
LGA    N    51_B      N    51_C     1.093     0    0.087   0.635     3.077   85.952   82.024
LGA    V    52_B      V    52_C     0.584     0    0.032   0.229     1.166   92.857   91.905
LGA    S    53_B      S    53_C     0.842     0    0.005   0.656     1.605   90.476   86.032
LGA    L    54_B      L    54_C     1.201     0    0.051   0.109     2.073   85.952   77.381
LGA    I    55_B      I    55_C     0.741     0    0.023   0.686     2.715   90.476   86.310
LGA    S    56_B      S    56_C     0.518     0    0.007   0.029     0.615   90.476   92.063
LGA    A    57_B      A    57_C     1.020     0    0.010   0.020     1.355   88.214   86.857
LGA    M    58_B      M    58_C     1.001     0    0.049   0.888     5.041   88.214   70.595
LGA    S    59_B      S    59_C     0.399     0    0.016   0.032     0.546   97.619   98.413
LGA    A    60_B      A    60_C     0.451     0    0.006   0.014     0.559   95.238   94.286
LGA    A    61_B      A    61_C     0.726     0    0.006   0.010     0.871   90.476   90.476
LGA    I    62_B      I    62_C     0.557     0    0.027   0.131     0.672   90.476   90.476
LGA    I    63_B      I    63_C     0.502     0    0.031   0.155     1.287   95.238   91.726
LGA    S    64_B      S    64_C     0.348     0    0.057   0.087     0.508  100.000   98.413
LGA    V    65_B      V    65_C     0.263     0    0.041   0.047     0.778  100.000   97.279
LGA    A    66_B      A    66_C     0.268     0    0.019   0.031     0.484  100.000  100.000
LGA    E    67_B      E    67_C     0.350     0    0.014   0.388     1.449   95.238   92.646
LGA    S    68_B      S    68_C     0.738     0    0.028   0.723     3.014   90.595   83.810
LGA    A    69_B      A    69_C     0.855     0    0.008   0.013     1.271   85.952   86.857
LGA    S    70_B      S    70_C     1.511     0    0.016   0.706     1.966   75.000   74.286
LGA    Q    71_B      Q    71_C     1.875     0    0.016   1.043     3.142   70.833   67.672
LGA    E    72_B      E    72_C     1.702     0    0.029   0.915     4.473   70.833   63.386
LGA    L    73_B      L    73_C     2.085     0    0.074   0.286     2.835   64.881   69.940
LGA    Q    74_B      Q    74_C     2.698     0    0.119   0.857     7.631   60.952   41.270
LGA    R    75_B      R    75_C     2.081     0    0.099   1.308     4.782   68.810   54.762
LGA    G    76_B      G    76_C     1.341     0    0.201   0.201     2.663   73.214   73.214
LGA    Y    77_B      Y    77_C     0.443     0    0.081   1.421     9.174  100.000   59.087
LGA    L    78_B      L    78_C     0.177     0    0.104   0.216     0.738   97.619   98.810
LGA    Q    79_B      Q    79_C     0.108     0    0.013   0.148     0.436  100.000  100.000
LGA    R    80_B      R    80_C     0.437     0    0.081   1.076     3.478  100.000   86.970
LGA    I    81_B      I    81_C     0.280     0    0.053   0.168     0.978  100.000   97.619
LGA    L    82_B      L    82_C     0.156     0    0.018   0.854     2.992  100.000   85.893
LGA    L    83_B      L    83_C     0.441     0    0.038   1.147     3.964   95.238   81.548
LGA    E    84_B      E    84_C     0.806     0    0.061   0.695     2.825   90.476   76.508
LGA    G    85_B      G    85_C     0.845     0    0.078   0.078     0.906   90.476   90.476
LGA    E    86_B      E    86_C     1.535     0    0.030   0.723     1.908   77.143   81.693
LGA    L    87_B      L    87_C     1.394     0    0.085   0.099     2.180   81.429   75.119
LGA    G    88_B      G    88_C     0.779     0    0.042   0.042     1.004   88.214   88.214
LGA    T    89_B      T    89_C     0.457     0    0.033   0.059     0.550   95.238   97.279
LGA    I    90_B      I    90_C     0.461     0    0.023   0.091     1.549  100.000   91.905
LGA    I    91_B      I    91_C     0.247     0    0.016   0.077     0.625   97.619   98.810
LGA    I    92_B      I    92_C     0.476     0    0.057   0.087     0.715   97.619   96.429
LGA    S    93_B      S    93_C     0.426     0    0.047   0.154     1.066  100.000   95.317
LGA    K    94_B      K    94_C     0.483     0    0.025   0.864     2.422   97.619   85.926
LGA    A    95_B      A    95_C     0.146     0    0.516   0.479     2.366   88.810   89.143
LGA    G    96_B      G    96_C     0.808     0    0.019   0.019     1.125   88.214   88.214
LGA    P    97_B      P    97_C     0.726     0    0.077   0.367     1.073   88.214   91.905
LGA    H    98_B      H    98_C     1.339     0    0.099   1.145     4.583   83.690   70.429
LGA    A    99_B      A    99_C     0.931     0    0.059   0.060     1.024   90.595   88.762
LGA    I   100_B      I   100_C     0.461     0    0.056   1.175     2.617   97.619   83.690
LGA    L   101_B      L   101_C     0.504     0    0.008   0.095     1.061   97.619   92.917
LGA    V   102_B      V   102_C     0.479     0    0.083   0.151     0.642  100.000   95.918
LGA    S   103_B      S   103_C     0.327     0    0.050   0.697     2.298  100.000   94.127
LGA    L   104_B      L   104_C     0.463     0    0.007   1.051     2.509  100.000   89.048
LGA    V   105_B      V   105_C     0.503     0    0.021   0.118     0.616   92.857   93.197
LGA    D   106_B      D   106_C     0.769     0    0.059   0.922     2.739   88.214   80.833
LGA    K   107_B      K   107_C     0.732     0    0.091   1.109     7.517   90.476   64.603
LGA    D   108_B      D   108_C     0.927     0    0.014   0.038     1.241   90.476   85.952
LGA    A   109_B      A   109_C     0.663     0    0.076   0.105     0.723   90.476   90.476
LGA    K   110_B      K   110_C     0.856     0    0.144   1.443     8.947   90.476   61.111
LGA    L   111_B      L   111_C     0.805     0    0.052   1.400     2.892   90.476   79.940
LGA    G   112_B      G   112_C     0.680     0    0.083   0.083     0.727   90.476   90.476
LGA    I   113_B      I   113_C     0.733     0    0.029   0.081     0.967   90.476   90.476
LGA    I   114_B      I   114_C     0.460     0    0.026   0.117     0.841   97.619   96.429
LGA    L   115_B      L   115_C     0.399     0    0.050   0.080     0.683   95.238   97.619
LGA    M   116_B      M   116_C     0.678     0    0.006   1.174     6.243   90.476   73.512
LGA    L   117_B      L   117_C     0.758     0    0.022   0.148     1.284   90.476   89.345
LGA    I   118_B      I   118_C     0.528     0    0.068   0.096     0.676   90.476   95.238
LGA    D   119_B      D   119_C     0.562     0    0.053   0.146     0.597   90.476   92.857
LGA    K   120_B      K   120_C     0.665     0    0.018   0.865     4.468   90.476   72.910
LGA    A   121_B      A   121_C     0.296     0    0.026   0.027     0.459  100.000  100.000
LGA    I   122_B      I   122_C     0.481     0    0.051   1.545     3.265   95.238   80.536
LGA    K   123_B      K   123_C     0.700     0    0.034   1.202     8.506   90.476   62.328
LGA    Q   124_B      Q   124_C     0.448     0    0.009   0.242     1.097  100.000   95.820
LGA    I   125_B      I   125_C     0.446     0    0.015   0.047     0.596   95.238   96.429
LGA    A   126_B      A   126_C     0.747     0    0.003   0.014     0.895   90.476   90.476
LGA    E   127_B      E   127_C     0.625     0    0.014   0.138     0.998   90.476   90.476
LGA    L   128_B      L   128_C     0.549     0    0.034   1.063     2.633   90.476   85.476
LGA    M   129_B      M   129_C     1.092     0    0.129   0.711     4.302   83.690   71.488
LGA    D   130_B      D   130_C     1.392     0    0.637   0.896     3.040   77.143   73.214
LGA    A   131_B      A   131_C     4.811     0    0.369   0.393     7.636   22.976   21.048

# 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):     1.125          1.182                  2.004           88.632   83.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    1.12    94.008    97.155     9.881

LGA_LOCAL      RMSD:   1.125  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.125  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.125  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.026029 * X  +   0.687298 * Y  +   0.725909 * Z  +  26.022957
  Y_new =  -0.436002 * X  +  -0.661254 * Y  +   0.610447 * Z  +   6.315829
  Z_new =   0.899569 * X  +  -0.300608 * Y  +   0.316875 * Z  +  65.130066 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.630425 -1.118783 -0.759061   [DEG:  -93.4165  -64.1015  -43.4910 ]
ZXZ:  2.270008  1.248364  1.893299   [DEG:  130.0619   71.5260  108.4780 ]
 
# END of job
