
#######################################################
#                                                     #
#                        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       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      51_A - 119_A       0.99     1.71
  LCS_AVERAGE:     37.76

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     26  127  127      3   46   96  110  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     26  127  127     25   94  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     26  127  127     55   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     26  127  127     55   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     26  127  127     44   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     26  127  127     56   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     26  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     26  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     26  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     26  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     26  127  127     52   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     26  127  127     38   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     26  127  127     41   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     26  127  127      3   17   97  108  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A      4  127  127      3    4    5    8   21   45  119  123  124  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A      4  127  127      3    3   29   65  108  118  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     69  127  127      3   13   61  106  115  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     69  127  127     42   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     69  127  127     34   82  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     69  127  127     29   75  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     69  127  127     16   73  105  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     69  127  127     48   88  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     69  127  127     43   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     69  127  127     43   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     69  127  127      3   92  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     69  127  127      3    4    6   12   18  115  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     69  127  127      3    3   66  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     69  127  127     41   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     69  127  127     57   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     69  127  127     48   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     69  127  127     31   95  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     69  127  127      4   56  105  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     69  127  127     19   77  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     69  127  127     38   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     69  127  127     31   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     69  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     69  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     69  127  127     35   93  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     69  127  127     14   67  103  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     46  127  127      3   26   66   93  114  117  121  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A      3  127  127      3    3    4   13   31  100  119  122  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      8  127  127      2    7    9   12   36   56   73   91  120  123  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      8  127  127      2    7   10   34   67  101  119  121  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      8  127  127      6   31   80  108  116  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A     23  127  127     13   95  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     23  127  127      3    7   74  108  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     23  127  127      4   37  100  110  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     23  127  127      4   53   98  110  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     23  127  127      4   20   99  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     23  127  127     31   95  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     23  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     23  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     23  127  127     58   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     23  127  127     59   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     23  127  127     55   96  106  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     22  127  127      7   62   96  112  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     21  127  127      4   27   89  108  117  120  122  123  125  126  126  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  79.25  (  37.76  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     59     96    106    112    117    120    122    123    125    126    126    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  46.46  75.59  83.46  88.19  92.13  94.49  96.06  96.85  98.43  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.54   0.67   0.81   0.95   1.04   1.14   1.19   1.40   1.46   1.46   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61
GDT RMS_ALL_AT   1.69   1.66   1.65   1.63   1.64   1.64   1.63   1.63   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61

# Checking swapping
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    65_A      E    65_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:  F   133_A      F   133_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  Y   137_A      Y   137_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     2.576     0    0.593   1.186     8.290   66.310   38.624
LGA    V    24_A      V    24_A     1.094     0    0.046   1.154     2.805   83.690   78.027
LGA    Q    25_A      Q    25_A     0.478     0    0.024   1.324     5.056   97.619   78.889
LGA    L    26_A      L    26_A     0.500     0    0.032   0.552     1.542   95.238   91.905
LGA    V    27_A      V    27_A     0.796     0    0.082   0.108     1.477   90.476   87.891
LGA    E    28_A      E    28_A     0.616     0    0.030   0.932     3.077   92.857   86.032
LGA    S    29_A      S    29_A     0.477     0    0.014   0.679     2.252   95.238   90.952
LGA    G    30_A      G    30_A     0.605     0    0.035   0.035     0.661   92.857   92.857
LGA    G    31_A      G    31_A     0.405     0    0.041   0.041     0.566   97.619   97.619
LGA    G    32_A      G    32_A     0.471     0    0.054   0.054     0.471  100.000  100.000
LGA    S    33_A      S    33_A     0.166     0    0.014   0.637     2.126  100.000   94.127
LGA    V    34_A      V    34_A     0.276     0    0.050   1.291     2.765  100.000   87.755
LGA    Q    35_A      Q    35_A     0.296     0    0.109   1.102     3.343  100.000   86.402
LGA    A    36_A      A    36_A     0.517     0    0.028   0.047     0.847   90.476   90.476
LGA    G    37_A      G    37_A     0.399     0    0.074   0.074     0.454  100.000  100.000
LGA    G    38_A      G    38_A     0.356     0    0.016   0.016     0.546   97.619   97.619
LGA    S    39_A      S    39_A     0.440     0    0.036   0.120     0.719   92.857   93.651
LGA    L    40_A      L    40_A     0.235     0    0.049   0.699     2.371  100.000   92.202
LGA    R    41_A      R    41_A     0.472     0    0.072   0.575     4.087   97.619   76.190
LGA    L    42_A      L    42_A     0.425     0    0.062   0.116     0.576   97.619   96.429
LGA    S    43_A      S    43_A     0.605     0    0.029   0.036     0.750   95.238   93.651
LGA    C    44_A      C    44_A     0.279     0    0.057   0.178     0.741  100.000   98.413
LGA    A    45_A      A    45_A     0.734     0    0.034   0.067     1.041   90.476   88.667
LGA    A    46_A      A    46_A     0.805     0    0.045   0.075     1.180   90.476   88.667
LGA    S    47_A      S    47_A     0.728     0    0.093   0.658     3.043   85.952   80.714
LGA    A    48_A      A    48_A     2.405     0    0.111   0.131     3.117   61.190   58.952
LGA    F    49_A      F    49_A     4.870     0    0.216   0.799    13.451   43.929   18.052
LGA    G    50_A      G    50_A     3.902     0    0.322   0.322     4.055   50.595   50.595
LGA    N    51_A      N    51_A     2.996     0    0.577   1.241     7.461   59.048   38.333
LGA    Y    52_A      Y    52_A     0.932     0    0.085   1.208     9.050   88.214   56.389
LGA    M    53_A      M    53_A     0.621     0    0.074   1.147     3.735   92.857   79.583
LGA    G    54_A      G    54_A     0.409     0    0.083   0.083     0.673   95.238   95.238
LGA    W    55_A      W    55_A     0.838     0    0.051   0.098     0.968   90.476   90.476
LGA    F    56_A      F    56_A     0.801     0    0.037   0.178     1.042   90.476   88.831
LGA    R    57_A      R    57_A     0.622     0    0.021   0.106     0.767   90.476   95.671
LGA    Q    58_A      Q    58_A     1.040     0    0.055   0.223     1.962   88.214   79.683
LGA    A    59_A      A    59_A     0.721     0    0.037   0.068     1.132   88.214   88.667
LGA    P    60_A      P    60_A     0.688     0    0.054   0.148     1.106   85.952   89.252
LGA    G    61_A      G    61_A     1.914     0    0.140   0.140     3.074   67.262   67.262
LGA    K    62_A      K    62_A     1.721     2    0.044   0.405     1.946   75.000   57.619
LGA    E    63_A      E    63_A     2.098     0    0.013   0.716     3.905   68.810   57.778
LGA    R    64_A      R    64_A     1.492     0    0.051   0.856     3.187   79.286   69.481
LGA    E    65_A      E    65_A     1.036     0    0.070   0.491     1.715   83.690   80.529
LGA    G    66_A      G    66_A     1.087     0    0.035   0.035     1.221   85.952   85.952
LGA    V    67_A      V    67_A     0.310     0    0.044   1.183     2.499   97.619   88.571
LGA    A    68_A      A    68_A     0.608     0    0.060   0.092     0.630   92.857   92.381
LGA    A    69_A      A    69_A     0.435     0    0.016   0.034     0.464  100.000  100.000
LGA    I    70_A      I    70_A     0.499     0    0.082   0.109     0.749   92.857   91.667
LGA    R    71_A      R    71_A     0.988     0    0.117   1.246    10.149   83.810   49.610
LGA    T    72_A      T    72_A     1.060     0    0.025   0.117     1.654   81.429   81.497
LGA    G    73_A      G    73_A     1.241     0    0.555   0.555     4.060   66.190   66.190
LGA    G    74_A      G    74_A     3.739     0    0.182   0.182     3.739   57.619   57.619
LGA    G    75_A      G    75_A     2.263     0    0.632   0.632     2.263   81.786   81.786
LGA    S    76_A      S    76_A     0.938     0    0.102   0.688     3.358   90.595   82.302
LGA    T    77_A      T    77_A     0.677     0    0.038   0.103     0.750   92.857   91.837
LGA    Y    78_A      Y    78_A     0.305     0    0.038   0.211     1.935   97.619   86.230
LGA    Y    79_A      Y    79_A     0.074     0    0.034   0.102     0.711  100.000   97.619
LGA    T    80_A      T    80_A     0.149     0    0.062   0.106     0.558  100.000   97.279
LGA    D    81_A      D    81_A     0.238     0    0.016   0.280     0.998  100.000   98.810
LGA    S    82_A      S    82_A     0.143     0    0.132   0.127     0.914   97.619   98.413
LGA    V    83_A      V    83_A     0.276     0    0.045   0.134     0.814  100.000   98.639
LGA    K    84_A      K    84_A     0.580     0    0.038   1.138     2.100   92.857   83.810
LGA    G    85_A      G    85_A     0.838     0    0.169   0.169     1.481   88.214   88.214
LGA    R    86_A      R    86_A     0.450     0    0.051   0.194     0.490  100.000  100.000
LGA    F    87_A      F    87_A     0.274     0    0.034   0.324     0.886  100.000   95.671
LGA    T    88_A      T    88_A     0.391     0    0.073   0.082     0.658  100.000   95.918
LGA    I    89_A      I    89_A     0.119     0    0.038   1.013     2.599  100.000   88.929
LGA    S    90_A      S    90_A     0.340     0    0.048   0.680     2.310  100.000   94.127
LGA    Q    91_A      Q    91_A     0.566     0    0.031   0.933     2.798   95.238   88.942
LGA    D    92_A      D    92_A     1.020     0    0.089   0.249     1.578   85.952   83.750
LGA    K    93_A      K    93_A     1.912     0    0.065   0.799     8.065   72.857   50.053
LGA    A    94_A      A    94_A     1.549     0    0.036   0.050     1.800   77.143   76.286
LGA    K    95_A      K    95_A     0.857     0    0.170   0.764     2.247   88.214   82.646
LGA    N    96_A      N    96_A     0.802     0    0.083   0.961     3.616   90.476   75.476
LGA    T    97_A      T    97_A     0.068     0    0.070   1.090     2.217  100.000   88.571
LGA    V    98_A      V    98_A     0.323     0    0.036   0.813     2.225  100.000   91.088
LGA    Y    99_A      Y    99_A     0.194     0    0.031   0.097     0.481  100.000  100.000
LGA    L   100_A      L   100_A     0.492     0    0.061   0.142     0.539   95.238   97.619
LGA    Q   101_A      Q   101_A     0.531     0    0.022   1.442     6.121   95.238   72.804
LGA    M   102_A      M   102_A     0.242     0    0.087   0.136     0.759   97.619   96.429
LGA    N   103_A      N   103_A     0.287     0    0.048   0.157     0.922  100.000   96.429
LGA    S   104_A      S   104_A     0.291     0    0.035   0.740     2.264  100.000   94.127
LGA    L   105_A      L   105_A     0.262     0    0.053   0.211     0.634  100.000   98.810
LGA    K   106_A      K   106_A     0.374     0    0.063   0.661     1.887   97.619   89.788
LGA    P   107_A      P   107_A     0.555     0    0.103   0.158     0.730   92.857   91.837
LGA    E   108_A      E   108_A     0.745     0    0.119   0.834     2.747   95.238   84.868
LGA    D   109_A      D   109_A     0.387     0    0.055   0.135     0.493  100.000  100.000
LGA    T   110_A      T   110_A     0.474     0    0.020   0.201     0.749   95.238   94.558
LGA    A   111_A      A   111_A     0.599     0    0.060   0.063     0.645   90.476   90.476
LGA    M   112_A      M   112_A     0.657     0    0.065   1.170     4.596   90.476   71.548
LGA    Y   113_A      Y   113_A     0.591     0    0.031   0.123     0.706   90.476   95.238
LGA    V   114_A      V   114_A     0.811     0    0.019   1.088     2.614   90.476   81.905
LGA    C   115_A      C   115_A     0.364     0    0.045   0.112     0.589   97.619   96.825
LGA    A   116_A      A   116_A     0.366     0    0.055   0.077     0.588   97.619   98.095
LGA    T   117_A      T   117_A     0.376     0    0.083   1.101     3.080  100.000   87.619
LGA    A   118_A      A   118_A     1.249     0    0.025   0.047     1.686   79.405   79.810
LGA    G   119_A      G   119_A     2.314     0    0.106   0.106     2.526   64.881   64.881
LGA    D   120_A      D   120_A     3.815     0    0.455   1.229    10.054   52.024   28.690
LGA    R   121_A      R   121_A     5.777     0    0.395   0.458    14.406   19.286    7.706
LGA    W   122_A      W   122_A     8.136     0    0.547   1.338    18.745   11.310    3.231
LGA    H   123_A      H   123_A     6.283     0    0.086   1.139    11.357   19.881   10.095
LGA    A   124_A      A   124_A     2.873     0    0.109   0.138     4.020   55.952   57.714
LGA    T   125_A      T   125_A     1.094     0    0.139   0.243     1.784   83.810   82.857
LGA    D   126_A      D   126_A     2.356     0    0.171   0.930     6.619   64.881   44.702
LGA    A   127_A      A   127_A     2.476     0    0.180   0.183     2.944   62.976   61.810
LGA    F   128_A      F   128_A     2.493     0    0.189   0.199     4.750   68.810   52.338
LGA    I   129_A      I   129_A     0.787     0    0.106   0.900     1.721   81.548   80.476
LGA    L   130_A      L   130_A     1.887     0    0.223   1.143     6.653   79.286   55.476
LGA    R   131_A      R   131_A     1.074     0    0.042   1.392     3.692   88.333   73.420
LGA    D   132_A      D   132_A     0.524     0    0.041   1.210     4.027   90.476   78.393
LGA    F   133_A      F   133_A     0.648     0    0.134   1.039     6.742   88.214   60.736
LGA    V   134_A      V   134_A     0.693     0    0.097   1.232     2.835   88.214   79.660
LGA    Y   135_A      Y   135_A     0.285     0    0.125   0.166     1.369   97.619   92.183
LGA    E   136_A      E   136_A     0.282     0    0.045   0.783     2.415  100.000   90.847
LGA    Y   137_A      Y   137_A     0.097     0    0.051   0.411     2.033  100.000   86.389
LGA    W   138_A      W   138_A     0.268     0    0.045   0.098     0.628   97.619   97.959
LGA    G   139_A      G   139_A     0.352     0    0.062   0.062     0.470  100.000  100.000
LGA    Q   140_A      Q   140_A     0.371     0    0.042   0.804     4.622  100.000   77.725
LGA    G   141_A      G   141_A     0.687     0    0.089   0.089     1.127   90.595   90.595
LGA    T   142_A      T   142_A     0.867     0    0.018   0.117     1.148   90.476   89.184
LGA    Q   143_A      Q   143_A     0.652     0    0.034   1.227     3.410   90.476   79.312
LGA    V   144_A      V   144_A     0.201     0    0.024   0.075     0.431  100.000  100.000
LGA    T   145_A      T   145_A     0.175     0    0.066   0.091     0.483  100.000  100.000
LGA    V   146_A      V   146_A     0.363     0    0.035   0.079     0.751   97.619   95.918
LGA    S   147_A      S   147_A     0.610     0    0.054   0.135     2.231   81.786   80.238
LGA    S   148_A      S   148_A     2.070     0    0.555   0.664     4.141   62.024   65.635
LGA    A   149_A      A   149_A     2.660     0    0.680   0.675     3.577   55.595   55.905

# 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):     1.607          1.534                  2.968           86.994   80.810

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    123    1.19    90.157    94.623     9.534

LGA_LOCAL      RMSD:   1.190  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.629  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.607  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.680787 * X  +  -0.716791 * Y  +  -0.150796 * Z  +  22.424805
  Y_new =   0.709805 * X  +  -0.594751 * Y  +  -0.377423 * Z  +  24.162951
  Z_new =   0.180848 * X  +  -0.363980 * Y  +   0.913681 * Z  +  47.578457 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.335330 -0.181848 -0.379098   [DEG:  133.8046  -10.4191  -21.7207 ]
ZXZ: -0.380110  0.418546  2.680459   [DEG:  -21.7787   23.9809  153.5790 ]
 
# END of job
