
#######################################################
#                                                     #
#                        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  173 ( 1303),  selected  127 , name one
# Molecule2: number of CA atoms  127 (  962),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      23_A - 119_A       0.96     1.42
  LONGEST_CONTINUOUS_SEGMENT:    97      24_A - 120_A       0.91     1.41
  LONGEST_CONTINUOUS_SEGMENT:    97      25_A - 121_A       0.99     1.39
  LCS_AVERAGE:     63.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     E    23_A     E    23_A     97  127  127      3    5    9   22   43   93  120  122  124  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     97  127  127      5   68  111  115  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     97  127  127     76  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     97  127  127     36  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     97  127  127     83  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     97  127  127     25  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     97  127  127      3    4   17   28  116  119  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A     97  127  127      3    3    5   17   23   51  120  123  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A     97  127  127      3    9  110  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     97  127  127      6   73  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     97  127  127     87  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     97  127  127     86  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     97  127  127     73  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     97  127  127     70  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     97  127  127      6  104  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     97  127  127     25  103  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     97  127  127     78  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     97  127  127     77  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     97  127  127     86  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     97  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     97  127  127      3   48  109  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     97  127  127      3    7  109  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     97  127  127      3    4    4   88  115  119  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A     97  127  127      3    4    7   60  116  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      4  127  127      3    4    4   15   83  115  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      6  127  127      3    5    8   15   34  106  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      6  127  127      3    6   20   40   98  117  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A     25  127  127      5   26   97  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     25  127  127      5    7   65  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     25  127  127     24  105  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     25  127  127      5   99  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     25  127  127     81  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     25  127  127      3   92  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     25  127  127     31  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     25  127  127     75  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     25  127  127     87  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     25  127  127     88  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     25  127  127     89  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     25  127  127     53  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     25  127  127     46  107  113  116  119  120  122  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  87.84  (  63.51  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     89    107    113    116    119    120    122    124    126    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  70.08  84.25  88.98  91.34  93.70  94.49  96.06  97.64  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.41   0.53   0.62   0.73   0.83   1.05   1.20   1.30   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.41   1.40   1.40   1.40   1.39   1.38   1.37   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  D   132_A      D   132_A
#   possible swapping detected:  F   133_A      F   133_A
#   possible swapping detected:  Y   135_A      Y   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     5.252     0    0.609   1.292     7.637   37.500   26.085
LGA    V    24_A      V    24_A     2.452     0    0.023   1.095     4.277   59.167   52.585
LGA    Q    25_A      Q    25_A     0.890     0    0.030   1.223     6.361   88.214   62.116
LGA    L    26_A      L    26_A     0.145     0    0.062   0.567     1.652  100.000   95.417
LGA    V    27_A      V    27_A     0.159     0    0.034   0.109     0.620  100.000   98.639
LGA    E    28_A      E    28_A     0.233     0    0.028   0.082     0.254  100.000  100.000
LGA    S    29_A      S    29_A     0.256     0    0.022   0.654     2.125  100.000   94.127
LGA    G    30_A      G    30_A     0.336     0    0.021   0.021     0.445  100.000  100.000
LGA    G    31_A      G    31_A     0.208     0    0.049   0.049     0.261  100.000  100.000
LGA    G    32_A      G    32_A     0.323     0    0.066   0.066     0.323  100.000  100.000
LGA    S    33_A      S    33_A     0.572     0    0.086   0.109     1.084   90.595   90.556
LGA    V    34_A      V    34_A     0.758     0    0.027   0.291     1.484   92.857   90.544
LGA    Q    35_A      Q    35_A     0.503     0    0.088   0.722     3.341   95.238   76.455
LGA    A    36_A      A    36_A     0.310     0    0.031   0.047     0.532   97.619   96.190
LGA    G    37_A      G    37_A     0.414     0    0.064   0.064     0.414  100.000  100.000
LGA    G    38_A      G    38_A     0.430     0    0.028   0.028     0.610   97.619   97.619
LGA    S    39_A      S    39_A     0.484     0    0.028   0.107     0.637   92.857   93.651
LGA    L    40_A      L    40_A     0.250     0    0.053   0.206     0.901  100.000   98.810
LGA    R    41_A      R    41_A     0.264     0    0.023   1.206     2.643  100.000   81.602
LGA    L    42_A      L    42_A     0.281     0    0.055   0.115     0.541  100.000   98.810
LGA    S    43_A      S    43_A     0.372     0    0.042   0.702     1.993  100.000   95.476
LGA    C    44_A      C    44_A     0.240     0    0.056   0.131     0.936  100.000   96.825
LGA    A    45_A      A    45_A     0.261     0    0.045   0.075     0.582   97.619   96.190
LGA    A    46_A      A    46_A     0.573     0    0.057   0.087     0.825   92.857   92.381
LGA    S    47_A      S    47_A     1.090     0    0.670   0.699     5.008   72.024   63.175
LGA    A    48_A      A    48_A     3.562     0    0.299   0.373     5.316   40.952   42.762
LGA    F    49_A      F    49_A     4.493     0    0.294   1.078    12.157   45.357   18.745
LGA    G    50_A      G    50_A     2.285     0    0.165   0.165     2.828   64.881   64.881
LGA    N    51_A      N    51_A     1.927     0    0.443   0.695     2.804   66.905   68.869
LGA    Y    52_A      Y    52_A     0.600     0    0.044   1.228     9.456   90.476   57.897
LGA    M    53_A      M    53_A     0.756     0    0.079   0.629     1.471   90.476   87.083
LGA    G    54_A      G    54_A     0.133     0    0.100   0.100     0.281  100.000  100.000
LGA    W    55_A      W    55_A     0.382     0    0.052   0.100     0.506  100.000   98.639
LGA    F    56_A      F    56_A     0.381     0    0.044   0.184     0.846  100.000   97.403
LGA    R    57_A      R    57_A     0.334     0    0.009   1.049     2.826  100.000   86.104
LGA    Q    58_A      Q    58_A     0.359     0    0.015   0.203     0.849  100.000   95.767
LGA    A    59_A      A    59_A     0.295     0    0.037   0.062     0.444  100.000  100.000
LGA    P    60_A      P    60_A     0.135     0    0.041   0.172     0.649  100.000   97.279
LGA    G    61_A      G    61_A     0.445     0    0.122   0.122     1.061   92.976   92.976
LGA    K    62_A      K    62_A     0.245     2    0.028   0.417     0.991  100.000   75.661
LGA    E    63_A      E    63_A     0.431     0    0.026   0.737     2.153   97.619   87.831
LGA    R    64_A      R    64_A     0.505     0    0.046   0.897     3.578   95.238   81.558
LGA    E    65_A      E    65_A     0.627     0    0.044   0.431     1.417   92.857   90.582
LGA    G    66_A      G    66_A     0.872     0    0.026   0.026     0.901   90.476   90.476
LGA    V    67_A      V    67_A     0.388     0    0.063   0.328     1.215   95.238   94.626
LGA    A    68_A      A    68_A     0.626     0    0.050   0.075     0.626   90.476   90.476
LGA    A    69_A      A    69_A     0.565     0    0.013   0.055     0.578   90.476   90.476
LGA    I    70_A      I    70_A     0.528     0    0.055   0.108     0.685   95.238   92.857
LGA    R    71_A      R    71_A     0.517     0    0.054   0.742     4.051   90.595   64.848
LGA    T    72_A      T    72_A     0.946     0    0.050   0.182     1.086   88.214   87.891
LGA    G    73_A      G    73_A     1.412     0    0.564   0.564     3.479   71.429   71.429
LGA    G    74_A      G    74_A     1.764     0    0.104   0.104     1.764   77.143   77.143
LGA    G    75_A      G    75_A     0.645     0    0.094   0.094     1.035   88.214   88.214
LGA    S    76_A      S    76_A     0.726     0    0.026   0.052     0.761   90.476   90.476
LGA    T    77_A      T    77_A     0.758     0    0.025   0.070     0.832   90.476   90.476
LGA    Y    78_A      Y    78_A     0.503     0    0.017   1.322    10.166   92.857   52.817
LGA    Y    79_A      Y    79_A     0.275     0    0.041   0.056     0.542  100.000   99.206
LGA    T    80_A      T    80_A     0.146     0    0.067   0.134     0.571  100.000   98.639
LGA    D    81_A      D    81_A     0.398     0    0.023   0.146     0.800  100.000   95.238
LGA    S    82_A      S    82_A     0.317     0    0.111   0.103     0.501  100.000   98.413
LGA    V    83_A      V    83_A     0.558     0    0.082   1.240     2.511   95.238   84.762
LGA    K    84_A      K    84_A     0.653     0    0.043   1.080     5.316   90.476   74.974
LGA    G    85_A      G    85_A     0.839     0    0.189   0.189     1.616   86.071   86.071
LGA    R    86_A      R    86_A     0.358     0    0.081   0.981     2.322  100.000   83.723
LGA    F    87_A      F    87_A     0.246     0    0.029   0.361     1.033  100.000   95.714
LGA    T    88_A      T    88_A     0.356     0    0.073   0.081     0.592  100.000   98.639
LGA    I    89_A      I    89_A     0.303     0    0.041   0.133     0.415  100.000  100.000
LGA    S    90_A      S    90_A     0.396     0    0.047   0.682     2.241   97.619   92.540
LGA    Q    91_A      Q    91_A     0.498     0    0.042   0.771     2.992   95.238   77.778
LGA    D    92_A      D    92_A     0.650     0    0.094   0.174     0.993   90.476   90.476
LGA    K    93_A      K    93_A     0.673     0    0.054   1.050     5.008   90.476   74.233
LGA    A    94_A      A    94_A     0.595     0    0.036   0.052     0.624   90.476   90.476
LGA    K    95_A      K    95_A     0.686     0    0.177   0.600     1.865   90.476   85.556
LGA    N    96_A      N    96_A     0.437     0    0.041   1.125     4.704   97.619   82.440
LGA    T    97_A      T    97_A     0.304     0    0.065   0.104     0.732   97.619   97.279
LGA    V    98_A      V    98_A     0.424     0    0.046   0.732     1.870  100.000   92.245
LGA    Y    99_A      Y    99_A     0.424     0    0.046   0.104     0.574   97.619   96.825
LGA    L   100_A      L   100_A     0.394     0    0.070   0.111     0.436  100.000  100.000
LGA    Q   101_A      Q   101_A     0.417     0    0.025   0.146     0.489  100.000  100.000
LGA    M   102_A      M   102_A     0.226     0    0.046   0.137     0.788  100.000   97.619
LGA    N   103_A      N   103_A     0.307     0    0.046   0.101     0.647  100.000   97.619
LGA    S   104_A      S   104_A     0.381     0    0.027   0.703     2.742   97.619   91.270
LGA    L   105_A      L   105_A     0.354     0    0.035   0.219     0.515  100.000   98.810
LGA    K   106_A      K   106_A     0.306     0    0.058   0.624     1.419  100.000   94.762
LGA    P   107_A      P   107_A     0.373     0    0.084   0.146     0.651  100.000   95.918
LGA    E   108_A      E   108_A     0.229     0    0.097   0.591     2.590   97.619   86.190
LGA    D   109_A      D   109_A     0.150     0    0.052   0.140     0.521  100.000   98.810
LGA    T   110_A      T   110_A     0.209     0    0.032   0.209     0.653  100.000   98.639
LGA    A   111_A      A   111_A     0.318     0    0.070   0.078     0.393  100.000  100.000
LGA    M   112_A      M   112_A     0.381     0    0.053   0.673     3.082  100.000   89.345
LGA    Y   113_A      Y   113_A     0.303     0    0.033   0.130     0.479  100.000  100.000
LGA    V   114_A      V   114_A     0.221     0    0.017   1.084     2.407  100.000   89.932
LGA    C   115_A      C   115_A     0.215     0    0.041   0.114     0.494  100.000  100.000
LGA    A   116_A      A   116_A     0.423     0    0.074   0.082     0.423  100.000  100.000
LGA    T   117_A      T   117_A     0.486     0    0.179   1.115     3.446   97.619   86.258
LGA    A   118_A      A   118_A     1.981     0    0.230   0.302     2.275   70.833   69.619
LGA    G   119_A      G   119_A     1.643     0    0.572   0.572     1.666   79.405   79.405
LGA    D   120_A      D   120_A     3.773     0    0.683   1.278     9.757   46.905   26.845
LGA    R   121_A      R   121_A     3.974     0    0.370   0.708    12.140   42.262   19.654
LGA    W   122_A      W   122_A     5.060     0    0.130   1.019    10.992   32.976   14.082
LGA    H   123_A      H   123_A     5.432     0    0.072   1.063    10.062   25.000   14.429
LGA    A   124_A      A   124_A     4.763     0    0.046   0.086     5.974   39.048   35.524
LGA    T   125_A      T   125_A     2.410     0    0.066   0.124     3.269   65.119   63.878
LGA    D   126_A      D   126_A     1.935     0    0.040   0.114     3.747   72.857   61.488
LGA    A   127_A      A   127_A     1.574     0    0.188   0.187     2.299   72.976   72.952
LGA    F   128_A      F   128_A     1.918     0    0.202   1.167    10.606   79.286   39.437
LGA    I   129_A      I   129_A     0.953     0    0.030   0.650     3.867   85.952   76.845
LGA    L   130_A      L   130_A     1.447     0    0.153   1.415     6.647   83.690   61.548
LGA    R   131_A      R   131_A     1.062     0    0.046   1.365     5.325   85.952   63.290
LGA    D   132_A      D   132_A     0.229     0    0.048   0.803     3.730   97.619   81.964
LGA    F   133_A      F   133_A     0.862     0    0.112   1.135     7.011   83.810   58.571
LGA    V   134_A      V   134_A     0.909     0    0.120   1.236     2.868   88.214   79.456
LGA    Y   135_A      Y   135_A     0.601     0    0.098   1.465     9.173   88.214   55.159
LGA    E   136_A      E   136_A     0.590     0    0.049   0.543     1.830   95.238   90.635
LGA    Y   137_A      Y   137_A     0.347     0    0.026   0.309     1.356  100.000   92.143
LGA    W   138_A      W   138_A     0.535     0    0.057   1.107     6.998   97.619   64.796
LGA    G   139_A      G   139_A     0.350     0    0.070   0.070     0.528   97.619   97.619
LGA    Q   140_A      Q   140_A     0.321     0    0.047   0.712     2.340  100.000   86.032
LGA    G   141_A      G   141_A     0.258     0    0.018   0.018     0.415  100.000  100.000
LGA    T   142_A      T   142_A     0.525     0    0.026   0.109     0.731   95.238   93.197
LGA    Q   143_A      Q   143_A     0.420     0    0.039   0.137     0.664   97.619   94.709
LGA    V   144_A      V   144_A     0.188     0    0.019   0.063     0.373  100.000  100.000
LGA    T   145_A      T   145_A     0.077     0    0.057   0.077     0.353  100.000  100.000
LGA    V   146_A      V   146_A     0.340     0    0.039   0.089     0.614   97.619   97.279
LGA    S   147_A      S   147_A     0.274     0    0.091   0.183     1.717   90.833   90.714
LGA    S   148_A      S   148_A     0.921     0    0.539   0.688     3.286   80.476   83.810
LGA    A   149_A      A   149_A     1.153     0    0.603   0.618     3.531   67.738   64.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     962    962  100.00               127
SUMMARY(RMSD_GDC):     1.369          1.347                  2.589           89.887   83.253

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    124    1.20    93.307    96.187     9.511

LGA_LOCAL      RMSD:   1.204  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.375  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.369  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.691215 * X  +  -0.656481 * Y  +  -0.302084 * Z  +  13.219964
  Y_new =   0.627240 * X  +  -0.337428 * Y  +  -0.701935 * Z  +   3.933336
  Z_new =   0.358875 * X  +  -0.674667 * Y  +   0.645006 * Z  +  66.057022 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.404679 -0.367063 -0.807870   [DEG:  137.7780  -21.0312  -46.2876 ]
ZXZ: -0.406401  0.869765  2.652729   [DEG:  -23.2850   49.8339  151.9902 ]
 
# END of job
