
#######################################################
#                                                     #
#                        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       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      27_C - 130_C       0.96     1.19
  LCS_AVERAGE:     76.18

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     16  121  121     27   92  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     16  121  121     66   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     16  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     16  121  121     41   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     16  121  121     41   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     16  121  121     32   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     16  121  121     32   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     16  121  121     56   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     16  121  121      3   10   33  104  115  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     16  121  121      3   15   20   50   86  112  117  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    104  121  121      3    5  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    104  121  121     56   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    104  121  121     28   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    104  121  121     14   73  105  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    104  121  121     34   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    104  121  121     26   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    104  121  121      4   62  107  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    104  121  121      4   40   60  113  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    104  121  121      4   15   58  110  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    104  121  121      4   54  106  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    104  121  121     56   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    104  121  121     57   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    104  121  121     47   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    104  121  121     33   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    104  121  121     26   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    104  121  121     18   78  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    104  121  121     15   68  107  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    104  121  121     15   71  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    104  121  121     15   62  107  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    104  121  121      4   35   85  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    104  121  121     18   71  107  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    104  121  121     31   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    104  121  121     41   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    104  121  121     65   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    104  121  121     17   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    104  121  121     17   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    104  121  121     12   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    104  121  121     26   84  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    104  121  121     38   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    104  121  121     66   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    104  121  121     54   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    104  121  121     66   97  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    104  121  121     57   96  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    104  121  121     41   88  109  115  118  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     81  121  121      3    3   20   33   55   96  111  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  92.06  (  76.18  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     66     97    109    115    118    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  54.55  80.17  90.08  95.04  97.52  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
GDT RMS_LOCAL    0.34   0.60   0.72   0.85   0.96   1.00   1.00   1.09   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.29   1.20   1.20   1.18   1.18   1.18   1.18   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17

# Checking swapping
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  Y    77_B      Y    77_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     1.506     0    0.149   1.542     6.463   79.405   56.429
LGA    T    12_B      T    12_C     1.027     0    0.018   1.178     3.566   85.952   77.347
LGA    D    13_B      D    13_C     0.861     0    0.025   1.147     3.813   90.476   78.036
LGA    K    14_B      K    14_C     0.409     0    0.019   0.561     3.735   97.619   84.815
LGA    L    15_B      L    15_C     0.176     0    0.036   0.129     0.829  100.000   97.619
LGA    W    16_B      W    16_C     0.603     0    0.100   1.636     5.684   97.619   69.898
LGA    Y    17_B      Y    17_C     0.353     0    0.039   0.122     0.446  100.000  100.000
LGA    I    18_B      I    18_C     0.301     0    0.011   0.069     0.460  100.000  100.000
LGA    L    19_B      L    19_C     0.467     0    0.020   0.110     0.759   95.238   94.048
LGA    Q    20_B      Q    20_C     0.893     0    0.016   1.311     4.956   88.214   71.852
LGA    E    21_B      E    21_C     0.921     0    0.016   0.801     1.767   88.214   84.550
LGA    L    22_B      L    22_C     0.908     0    0.028   1.373     3.215   85.952   78.810
LGA    T    23_B      T    23_C     1.157     0    0.085   0.173     1.795   81.548   81.497
LGA    S    24_B      S    24_C     0.818     0    0.040   0.682     2.919   81.667   80.635
LGA    N    25_B      N    25_C     3.129     0    0.451   0.819     7.455   46.071   34.524
LGA    R    26_B      R    26_C     4.714     0    0.641   1.496    15.508   42.024   16.320
LGA    G    27_B      G    27_C     1.552     0    0.187   0.187     2.003   72.976   72.976
LGA    D    28_B      D    28_C     1.068     0    0.166   1.106     2.471   88.214   81.786
LGA    I    29_B      I    29_C     0.654     0    0.042   0.078     0.702   90.476   91.667
LGA    Q    30_B      Q    30_C     0.665     0    0.021   0.131     1.408   90.476   88.466
LGA    G    31_B      G    31_C     0.400     0    0.066   0.066     0.493  100.000  100.000
LGA    C    32_B      C    32_C     0.414     0    0.045   0.123     0.736   97.619   96.825
LGA    T    33_B      T    33_C     0.457     0    0.030   0.079     0.562   97.619   97.279
LGA    I    34_B      I    34_C     0.480     0    0.030   0.072     0.768  100.000   95.238
LGA    V    35_B      V    35_C     0.341     0    0.052   1.061     2.357  100.000   89.932
LGA    T    36_B      T    36_C     0.790     0    0.185   0.288     1.136   88.214   87.891
LGA    T    37_B      T    37_C     0.984     0    0.688   0.636     2.294   84.048   81.701
LGA    Q    38_B      Q    38_C     1.831     0    0.082   1.048     5.522   79.643   61.693
LGA    G    39_B      G    39_C     0.623     0    0.116   0.116     1.019   92.976   92.976
LGA    L    40_B      L    40_C     0.626     0    0.071   1.415     4.342   92.857   78.571
LGA    P    41_B      P    41_C     0.650     0    0.042   0.334     1.268   90.476   89.184
LGA    I    42_B      I    42_C     0.580     0    0.019   0.033     0.665   92.857   92.857
LGA    T    43_B      T    43_C     0.633     0    0.068   0.096     0.745   90.476   90.476
LGA    S    44_B      S    44_C     0.631     0    0.059   0.087     1.205   92.857   90.556
LGA    L    45_B      L    45_C     0.539     0    0.031   0.771     3.058   97.619   82.619
LGA    L    46_B      L    46_C     0.731     0    0.056   0.113     1.054   90.476   89.345
LGA    A    47_B      A    47_C     1.951     0    0.023   0.023     2.491   72.976   71.333
LGA    D    48_B      D    48_C     2.954     0    0.046   0.160     4.220   57.143   49.464
LGA    D    49_B      D    49_C     3.086     0    0.153   0.963     4.124   50.119   49.345
LGA    A    50_B      A    50_C     2.035     0    0.176   0.220     2.741   64.881   64.857
LGA    N    51_B      N    51_C     1.075     0    0.075   0.618     3.067   85.952   82.024
LGA    V    52_B      V    52_C     0.640     0    0.031   0.221     1.222   92.857   90.544
LGA    S    53_B      S    53_C     0.756     0    0.007   0.654     1.770   90.476   87.540
LGA    L    54_B      L    54_C     1.067     0    0.010   1.402     3.742   88.214   77.917
LGA    I    55_B      I    55_C     0.782     0    0.014   0.664     2.381   90.476   87.262
LGA    S    56_B      S    56_C     0.534     0    0.013   0.715     2.315   90.476   86.190
LGA    A    57_B      A    57_C     0.885     0    0.016   0.024     1.182   90.476   88.667
LGA    M    58_B      M    58_C     0.849     0    0.026   1.243     5.690   90.476   74.821
LGA    S    59_B      S    59_C     0.436     0    0.010   0.027     0.523   97.619   98.413
LGA    A    60_B      A    60_C     0.403     0    0.007   0.009     0.479  100.000  100.000
LGA    A    61_B      A    61_C     0.620     0    0.000   0.008     0.757   90.476   90.476
LGA    I    62_B      I    62_C     0.534     0    0.025   0.133     0.703   90.476   90.476
LGA    I    63_B      I    63_C     0.489     0    0.027   0.152     1.287   97.619   92.917
LGA    S    64_B      S    64_C     0.356     0    0.060   0.085     0.552  100.000   96.825
LGA    V    65_B      V    65_C     0.261     0    0.039   0.048     0.736  100.000   98.639
LGA    A    66_B      A    66_C     0.286     0    0.014   0.024     0.478  100.000  100.000
LGA    E    67_B      E    67_C     0.371     0    0.015   0.387     1.378   95.238   92.646
LGA    S    68_B      S    68_C     0.802     0    0.031   0.727     3.121   88.214   82.222
LGA    A    69_B      A    69_C     0.933     0    0.010   0.015     1.308   85.952   86.857
LGA    S    70_B      S    70_C     1.479     0    0.014   0.703     1.905   77.143   77.143
LGA    Q    71_B      Q    71_C     1.804     0    0.016   1.052     2.984   70.833   68.466
LGA    E    72_B      E    72_C     1.707     0    0.028   0.919     4.375   70.833   64.074
LGA    L    73_B      L    73_C     2.109     0    0.075   0.284     2.815   64.881   68.929
LGA    Q    74_B      Q    74_C     2.662     0    0.112   0.852     7.753   60.952   40.265
LGA    R    75_B      R    75_C     1.905     0    0.045   1.292     5.135   75.119   56.190
LGA    G    76_B      G    76_C     1.121     0    0.061   0.061     1.434   83.690   83.690
LGA    Y    77_B      Y    77_C     0.408     0    0.010   0.171     0.662   95.238   92.063
LGA    L    78_B      L    78_C     0.118     0    0.073   0.157     0.524   97.619   98.810
LGA    Q    79_B      Q    79_C     0.174     0    0.012   0.962     3.837  100.000   84.233
LGA    R    80_B      R    80_C     0.437     0    0.074   1.026     2.733  100.000   88.485
LGA    I    81_B      I    81_C     0.251     0    0.051   0.170     0.950  100.000   97.619
LGA    L    82_B      L    82_C     0.121     0    0.019   0.858     2.993  100.000   85.893
LGA    L    83_B      L    83_C     0.385     0    0.045   1.150     4.000   95.238   81.964
LGA    E    84_B      E    84_C     0.775     0    0.064   0.691     2.890   90.476   75.661
LGA    G    85_B      G    85_C     0.863     0    0.080   0.080     0.923   90.476   90.476
LGA    E    86_B      E    86_C     1.582     0    0.030   0.724     1.969   75.000   80.635
LGA    L    87_B      L    87_C     1.435     0    0.086   0.096     2.279   81.429   74.107
LGA    G    88_B      G    88_C     0.788     0    0.044   0.044     1.027   88.214   88.214
LGA    T    89_B      T    89_C     0.413     0    0.031   0.066     0.525   95.238   97.279
LGA    I    90_B      I    90_C     0.442     0    0.022   0.117     1.787  100.000   91.905
LGA    I    91_B      I    91_C     0.275     0    0.004   0.073     0.575   97.619   98.810
LGA    I    92_B      I    92_C     0.548     0    0.055   0.082     0.781   92.857   91.667
LGA    S    93_B      S    93_C     0.508     0    0.047   0.172     1.232   92.857   90.556
LGA    K    94_B      K    94_C     0.543     0    0.023   0.845     2.279   95.238   85.767
LGA    A    95_B      A    95_C     0.157     0    0.517   0.480     2.413   88.810   89.143
LGA    G    96_B      G    96_C     0.822     0    0.018   0.018     1.110   88.214   88.214
LGA    P    97_B      P    97_C     0.760     0    0.085   0.372     1.041   88.214   89.184
LGA    H    98_B      H    98_C     1.254     0    0.117   1.146     4.580   85.952   71.333
LGA    A    99_B      A    99_C     0.858     0    0.058   0.059     0.964   92.857   92.381
LGA    I   100_B      I   100_C     0.442     0    0.060   1.182     2.644   97.619   83.690
LGA    L   101_B      L   101_C     0.543     0    0.025   0.066     0.743   90.476   90.476
LGA    V   102_B      V   102_C     0.558     0    0.020   0.063     0.657   95.238   93.197
LGA    S   103_B      S   103_C     0.246     0    0.040   0.700     2.325  100.000   94.127
LGA    L   104_B      L   104_C     0.353     0    0.010   1.044     2.638  100.000   89.048
LGA    V   105_B      V   105_C     0.468     0    0.021   0.123     0.597   95.238   94.558
LGA    D   106_B      D   106_C     0.779     0    0.060   0.919     2.692   88.214   80.833
LGA    K   107_B      K   107_C     0.743     0    0.092   1.113     7.640   90.476   64.127
LGA    D   108_B      D   108_C     1.006     0    0.013   0.039     1.358   85.952   83.690
LGA    A   109_B      A   109_C     0.658     0    0.080   0.111     0.755   90.476   90.476
LGA    K   110_B      K   110_C     0.830     0    0.138   1.441     8.894   90.476   62.540
LGA    L   111_B      L   111_C     0.798     0    0.052   1.400     2.933   90.476   79.940
LGA    G   112_B      G   112_C     0.692     0    0.075   0.075     0.734   90.476   90.476
LGA    I   113_B      I   113_C     0.732     0    0.024   0.092     0.857   90.476   90.476
LGA    I   114_B      I   114_C     0.507     0    0.023   0.136     0.981   95.238   95.238
LGA    L   115_B      L   115_C     0.436     0    0.040   0.070     0.658   95.238   97.619
LGA    M   116_B      M   116_C     0.655     0    0.034   1.127     4.556   90.476   75.833
LGA    L   117_B      L   117_C     0.765     0    0.032   0.141     1.285   90.476   89.345
LGA    I   118_B      I   118_C     0.531     0    0.071   0.088     0.688   90.476   95.238
LGA    D   119_B      D   119_C     0.564     0    0.065   0.143     1.083   90.476   89.345
LGA    K   120_B      K   120_C     0.601     0    0.020   0.879     4.771   90.476   70.794
LGA    A   121_B      A   121_C     0.212     0    0.021   0.020     0.382  100.000  100.000
LGA    I   122_B      I   122_C     0.544     0    0.049   1.541     3.199   92.857   79.345
LGA    K   123_B      K   123_C     0.725     0    0.037   1.199     8.497   90.476   62.540
LGA    Q   124_B      Q   124_C     0.488     0    0.012   0.247     1.190   97.619   95.820
LGA    I   125_B      I   125_C     0.473     0    0.017   0.046     0.632   95.238   96.429
LGA    A   126_B      A   126_C     0.791     0    0.000   0.013     0.924   90.476   90.476
LGA    E   127_B      E   127_C     0.699     0    0.013   0.140     1.043   90.476   89.471
LGA    L   128_B      L   128_C     0.575     0    0.036   1.060     2.562   90.476   85.476
LGA    M   129_B      M   129_C     1.126     0    0.129   0.714     4.347   83.690   70.417
LGA    D   130_B      D   130_C     1.494     0    0.637   0.896     2.980   75.119   73.095
LGA    A   131_B      A   131_C     5.021     0    0.365   0.388     7.822   20.119   18.762

# 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):     1.171          1.223                  2.102           88.430   83.008

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    120    1.09    93.595    96.944    10.113

LGA_LOCAL      RMSD:   1.087  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.174  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.171  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.307327 * X  +   0.542364 * Y  +  -0.781916 * Z  +  25.608496
  Y_new =  -0.219603 * X  +  -0.759081 * Y  +  -0.612838 * Z  +   7.893661
  Z_new =  -0.925918 * X  +   0.360052 * Y  +  -0.114181 * Z  +  65.892632 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.620430  1.183460  1.877888   [DEG:  -35.5480   67.8073  107.5951 ]
ZXZ: -0.906033  1.685227 -1.199930   [DEG:  -51.9119   96.5564  -68.7509 ]
 
# END of job
