
#######################################################
#                                                     #
#                        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       0.90     0.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.90     0.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.90     0.90
  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     14   95  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     67  102  114  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     46  102  114  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     61  102  114  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     29   90  111  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   40   83  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     21  102  114  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     22   58  114  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     55  102  114  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     50  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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  102  114  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     67  102  114  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  102  114  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  102  114  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     69  102  114  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     69  102  114  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     67  102  114  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     29  102  114  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     29  102  114  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     69  102  114  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     33   84  111  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     39  102  114  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     39  102  114  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     69  102  114  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     60  102  114  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     39  102  114  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     53  102  114  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     67  102  114  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     60  102  114  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     67  102  114  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  102  114  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     67  102  114  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     60  102  114  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     69  102  114  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     69  102  114  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     60  102  114  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     67  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     65  102  114  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     51  102  114  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     12   84  114  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     53  102  114  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     32  101  114  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     69  102  114  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     69  102  114  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     69  102  114  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     61  102  114  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     61  102  114  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     44   97  114  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     33   79  114  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     12   74  103  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     15   61  111  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     22   98  114  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     59  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     59  102  114  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     28  100  114  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     44   98  114  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     23   78  114  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      7   74  105  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     33   79  114  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     44   98  114  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     57  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     69  102  114  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     61  102  114  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     69  102  114  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     61  102  114  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     59  102  114  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      3    3   56  102  115  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     69    102    114    119    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  57.02  84.30  94.21  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    0.34   0.52   0.69   0.78   0.78   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90
GDT RMS_ALL_AT   0.94   0.94   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  E    84_B      E    84_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     1.148     0    0.214   1.311     5.566   85.952   65.905
LGA    T    12_B      T    12_C     0.341     0    0.036   1.149     2.851   97.619   87.483
LGA    D    13_B      D    13_C     0.327     0    0.039   1.183     4.086  100.000   83.155
LGA    K    14_B      K    14_C     0.255     0    0.015   0.571     3.662  100.000   86.772
LGA    L    15_B      L    15_C     0.217     0    0.030   0.105     0.481  100.000  100.000
LGA    W    16_B      W    16_C     0.412     0    0.077   1.653     5.266  100.000   74.150
LGA    Y    17_B      Y    17_C     0.213     0    0.034   0.153     1.126  100.000   93.730
LGA    I    18_B      I    18_C     0.363     0    0.021   0.064     0.489  100.000  100.000
LGA    L    19_B      L    19_C     0.414     0    0.046   0.055     0.585  100.000   97.619
LGA    Q    20_B      Q    20_C     0.339     0    0.039   1.500     5.258  100.000   75.926
LGA    E    21_B      E    21_C     0.473     0    0.023   0.737     3.025   97.619   83.492
LGA    L    22_B      L    22_C     0.747     0    0.014   1.381     3.240   90.476   81.071
LGA    T    23_B      T    23_C     0.682     0    0.061   0.089     0.880   90.476   90.476
LGA    S    24_B      S    24_C     0.459     0    0.064   0.682     3.669   97.619   85.873
LGA    N    25_B      N    25_C     1.842     0    0.448   0.875     6.484   69.286   51.131
LGA    R    26_B      R    26_C     3.252     0    0.581   1.355     8.616   52.262   30.823
LGA    G    27_B      G    27_C     0.997     0    0.103   0.103     1.317   88.214   88.214
LGA    D    28_B      D    28_C     1.453     0    0.171   0.970     2.550   83.690   73.333
LGA    I    29_B      I    29_C     0.626     0    0.047   0.066     1.045   90.476   89.345
LGA    Q    30_B      Q    30_C     0.711     0    0.066   0.190     2.176   95.238   83.810
LGA    G    31_B      G    31_C     0.367     0    0.046   0.046     0.477  100.000  100.000
LGA    C    32_B      C    32_C     0.454     0    0.018   0.782     2.019  100.000   92.540
LGA    T    33_B      T    33_C     0.283     0    0.016   0.106     0.401  100.000  100.000
LGA    I    34_B      I    34_C     0.238     0    0.025   0.112     0.404  100.000  100.000
LGA    V    35_B      V    35_C     0.147     0    0.026   0.244     0.647  100.000   97.279
LGA    T    36_B      T    36_C     0.270     0    0.046   0.078     0.399  100.000  100.000
LGA    T    37_B      T    37_C     0.259     0    0.028   0.116     0.990  100.000   95.918
LGA    Q    38_B      Q    38_C     0.440     0    0.069   0.748     3.574   95.238   84.392
LGA    G    39_B      G    39_C     0.530     0    0.020   0.020     0.773   92.857   92.857
LGA    L    40_B      L    40_C     0.678     0    0.038   0.069     1.433   95.238   89.464
LGA    P    41_B      P    41_C     0.441     0    0.009   0.285     0.678  100.000   97.279
LGA    I    42_B      I    42_C     0.443     0    0.033   0.067     0.490  100.000  100.000
LGA    T    43_B      T    43_C     0.417     0    0.058   0.086     0.439  100.000  100.000
LGA    S    44_B      S    44_C     0.430     0    0.098   0.542     2.313   92.976   89.444
LGA    L    45_B      L    45_C     0.647     0    0.119   0.338     0.914   92.857   91.667
LGA    L    46_B      L    46_C     1.005     0    0.014   0.072     1.199   83.690   84.821
LGA    A    47_B      A    47_C     1.079     0    0.021   0.029     1.321   85.952   85.048
LGA    D    48_B      D    48_C     0.383     0    0.043   0.098     1.147   90.595   91.726
LGA    D    49_B      D    49_C     1.759     0    0.121   0.848     2.466   79.286   77.321
LGA    A    50_B      A    50_C     1.275     0    0.109   0.124     1.381   81.429   81.429
LGA    N    51_B      N    51_C     1.288     0    0.113   0.132     1.755   81.429   80.357
LGA    V    52_B      V    52_C     0.540     0    0.031   0.084     0.716   90.476   94.558
LGA    S    53_B      S    53_C     0.878     0    0.018   0.655     3.144   85.952   80.714
LGA    L    54_B      L    54_C     1.281     0    0.031   0.103     1.890   81.429   78.214
LGA    I    55_B      I    55_C     1.029     0    0.024   0.025     1.314   85.952   84.821
LGA    S    56_B      S    56_C     0.738     0    0.011   0.055     0.856   90.476   92.063
LGA    A    57_B      A    57_C     0.929     0    0.014   0.019     0.994   90.476   90.476
LGA    M    58_B      M    58_C     0.828     0    0.030   1.244     5.041   90.476   79.226
LGA    S    59_B      S    59_C     0.622     0    0.021   0.632     2.696   90.476   86.508
LGA    A    60_B      A    60_C     0.717     0    0.027   0.034     0.814   90.476   90.476
LGA    A    61_B      A    61_C     0.937     0    0.012   0.016     1.096   90.476   88.667
LGA    I    62_B      I    62_C     0.691     0    0.030   0.149     1.085   95.238   91.726
LGA    I    63_B      I    63_C     0.323     0    0.024   0.058     0.540  100.000   98.810
LGA    S    64_B      S    64_C     0.784     0    0.021   0.730     2.061   90.476   84.683
LGA    V    65_B      V    65_C     0.750     0    0.015   0.039     0.867   90.476   90.476
LGA    A    66_B      A    66_C     0.560     0    0.015   0.024     0.597   92.857   92.381
LGA    E    67_B      E    67_C     0.562     0    0.022   1.047     3.514   90.476   76.720
LGA    S    68_B      S    68_C     0.639     0    0.031   0.721     2.852   90.476   84.921
LGA    A    69_B      A    69_C     0.524     0    0.016   0.017     0.622   95.238   94.286
LGA    S    70_B      S    70_C     0.636     0    0.014   0.068     0.694   90.476   92.063
LGA    Q    71_B      Q    71_C     0.698     0    0.040   0.947     2.447   90.476   85.661
LGA    E    72_B      E    72_C     0.690     0    0.052   0.135     0.892   90.476   90.476
LGA    L    73_B      L    73_C     0.700     0    0.052   0.262     0.990   90.476   91.667
LGA    Q    74_B      Q    74_C     0.536     0    0.097   0.184     2.797   92.857   82.011
LGA    R    75_B      R    75_C     0.609     0    0.092   1.210     2.744   92.857   81.169
LGA    G    76_B      G    76_C     0.756     0    0.076   0.076     0.756   92.857   92.857
LGA    Y    77_B      Y    77_C     1.356     0    0.062   0.087     3.179   81.429   67.857
LGA    L    78_B      L    78_C     0.700     0    0.089   0.147     0.956   90.476   95.238
LGA    Q    79_B      Q    79_C     1.148     0    0.054   0.305     2.376   88.214   79.735
LGA    R    80_B      R    80_C     0.521     0    0.068   0.733     2.038   90.476   84.935
LGA    I    81_B      I    81_C     0.572     0    0.017   0.674     2.775   90.476   86.310
LGA    L    82_B      L    82_C     0.472     0    0.033   0.578     1.887   97.619   91.845
LGA    L    83_B      L    83_C     0.407     0    0.044   0.793     1.960  100.000   93.214
LGA    E    84_B      E    84_C     0.330     0    0.065   0.691     2.119   95.238   90.847
LGA    G    85_B      G    85_C     1.207     0    0.022   0.022     1.309   83.690   83.690
LGA    E    86_B      E    86_C     1.689     0    0.029   0.702     3.146   72.857   69.471
LGA    L    87_B      L    87_C     2.089     0    0.026   0.049     2.863   66.786   62.917
LGA    G    88_B      G    88_C     1.971     0    0.046   0.046     1.971   75.000   75.000
LGA    T    89_B      T    89_C     1.083     0    0.066   0.119     1.430   83.690   82.721
LGA    I    90_B      I    90_C     0.461     0    0.010   0.095     0.632  100.000   96.429
LGA    I    91_B      I    91_C     0.174     0    0.031   0.074     0.543  100.000   98.810
LGA    I    92_B      I    92_C     0.426     0    0.025   0.055     0.568   97.619   94.048
LGA    S    93_B      S    93_C     0.591     0    0.013   0.144     1.027   95.238   92.143
LGA    K    94_B      K    94_C     0.408     0    0.011   0.323     2.709  100.000   90.159
LGA    A    95_B      A    95_C     0.329     0    0.032   0.047     0.484  100.000  100.000
LGA    G    96_B      G    96_C     0.410     0    0.071   0.071     0.587   97.619   97.619
LGA    P    97_B      P    97_C     0.423     0    0.054   0.055     0.537  100.000   97.279
LGA    H    98_B      H    98_C     0.402     0    0.040   1.133     3.221  100.000   87.905
LGA    A    99_B      A    99_C     0.177     0    0.048   0.054     0.496  100.000  100.000
LGA    I   100_B      I   100_C     0.493     0    0.050   1.193     2.785  100.000   85.655
LGA    L   101_B      L   101_C     0.238     0    0.017   0.076     0.337  100.000  100.000
LGA    V   102_B      V   102_C     0.207     0    0.013   0.045     0.455  100.000  100.000
LGA    S   103_B      S   103_C     0.151     0    0.047   0.076     0.228  100.000  100.000
LGA    L   104_B      L   104_C     0.604     0    0.012   0.083     1.153   92.857   90.536
LGA    V   105_B      V   105_C     0.923     0    0.098   1.184     2.831   88.214   80.748
LGA    D   106_B      D   106_C     1.002     0    0.035   0.930     2.640   81.548   75.298
LGA    K   107_B      K   107_C     1.735     0    0.067   0.983     7.786   72.976   53.704
LGA    D   108_B      D   108_C     1.979     0    0.085   0.118     2.342   72.857   68.810
LGA    A   109_B      A   109_C     1.485     0    0.086   0.102     1.685   79.286   79.714
LGA    K   110_B      K   110_C     1.072     0    0.126   1.433     7.798   83.690   61.429
LGA    L   111_B      L   111_C     0.493     0    0.078   1.360     3.094   97.619   82.619
LGA    G   112_B      G   112_C     0.400     0    0.050   0.050     0.605   97.619   97.619
LGA    I   113_B      I   113_C     0.326     0    0.010   0.042     0.520  100.000   98.810
LGA    I   114_B      I   114_C     0.378     0    0.032   0.651     2.192  100.000   94.405
LGA    L   115_B      L   115_C     0.416     0    0.036   0.072     0.783  100.000   96.429
LGA    M   116_B      M   116_C     0.198     0    0.057   1.253     3.230  100.000   83.988
LGA    L   117_B      L   117_C     0.336     0    0.059   0.130     0.440  100.000  100.000
LGA    I   118_B      I   118_C     0.398     0    0.063   0.088     0.516  100.000   98.810
LGA    D   119_B      D   119_C     0.407     0    0.098   0.254     0.969   97.619   94.048
LGA    K   120_B      K   120_C     0.379     0    0.016   0.361     1.335  100.000   95.820
LGA    A   121_B      A   121_C     0.355     0    0.040   0.046     0.456  100.000  100.000
LGA    I   122_B      I   122_C     0.504     0    0.029   0.076     0.697   92.857   92.857
LGA    K   123_B      K   123_C     0.460     0    0.030   0.969     4.619   97.619   83.333
LGA    Q   124_B      Q   124_C     0.373     0    0.013   0.166     0.755  100.000   96.825
LGA    I   125_B      I   125_C     0.383     0    0.023   0.031     0.494  100.000  100.000
LGA    A   126_B      A   126_C     0.546     0    0.039   0.047     0.734   92.857   92.381
LGA    E   127_B      E   127_C     0.671     0    0.035   0.108     1.301   92.857   89.524
LGA    L   128_B      L   128_C     0.495     0    0.033   1.068     2.410   92.857   86.429
LGA    M   129_B      M   129_C     0.658     0    0.048   0.087     0.810   90.476   90.476
LGA    D   130_B      D   130_C     0.867     0    0.605   0.936     4.976   84.048   67.560
LGA    A   131_B      A   131_C     3.550     0    0.274   0.372     5.777   39.762   36.095

# 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):     0.895          0.919                  1.529           92.041   87.120

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.90    95.661    98.104    12.158

LGA_LOCAL      RMSD:   0.895  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.895  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.895  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.321412 * X  +  -0.535954 * Y  +   0.780671 * Z  +  19.762262
  Y_new =   0.473592 * X  +  -0.804884 * Y  +  -0.357593 * Z  +  -6.426951
  Z_new =   0.820003 * X  +   0.254786 * Y  +   0.512523 * Z  +  23.100063 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.167061 -0.961416  0.461342   [DEG:  124.1635  -55.0851   26.4329 ]
ZXZ:  1.141262  1.032676  1.269540   [DEG:   65.3895   59.1680   72.7393 ]
 
# END of job
