
#######################################################
#                                                     #
#                        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       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      51_A - 119_A       0.96     1.62
  LONGEST_CONTINUOUS_SEGMENT:    69      52_A - 120_A       0.94     1.64
  LCS_AVERAGE:     37.92

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     13   42   93  109  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     26  127  127     24   95  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     26  127  127     44   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     26  127  127     52   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     26  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     26  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     26  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     26  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     26  127  127     59   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     26  127  127     42   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     26  127  127      3    8   46  109  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A      4  127  127      3    5    8   10   24   67  116  122  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A      4  127  127      3   10   29   59  105  116  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     69  127  127      3   10   79  105  115  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     69  127  127     44   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     69  127  127     30   80  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     69  127  127     14   81  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     69  127  127     14   72  106  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     69  127  127     45   85  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     69  127  127     60   97  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     69  127  127     60   97  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     69  127  127     54   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     69  127  127      8   80  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     69  127  127      3    3    3    4   47  102  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     69  127  127      3    4   15  103  115  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     69  127  127     44   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     69  127  127     39   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     69  127  127     55   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     69  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     69  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     69  127  127     29   97  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     69  127  127      4   97  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     69  127  127      3    4   84  108  114  120  122  123  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A      4  127  127      3    4    4    5   11   31  104  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      8  127  127      4    9   10   17   23   27   35   52  103  123  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      8  127  127      4    9   16   27   57  103  118  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      8  127  127      4   51   97  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A     23  127  127     25   97  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     23  127  127      3   31   65  109  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     23  127  127      3   18   92  109  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     23  127  127      5   55   99  109  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     23  127  127     52   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     23  127  127      5   28  103  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     23  127  127     46   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     23  127  127     59   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     23  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     23  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     23  127  127     60   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     23  127  127     61   98  107  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     23  127  127      9   68  101  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     22  127  127      4   68   97  111  116  120  122  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  79.31  (  37.92  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     61     98    107    111    116    120    122    124    125    126    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  48.03  77.17  84.25  87.40  91.34  94.49  96.06  97.64  98.43  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.52   0.65   0.73   0.88   1.01   1.10   1.32   1.35   1.41   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.58   1.58   1.56   1.57   1.58   1.57   1.57   1.55   1.55   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_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:  D   120_A      D   120_A
#   possible swapping detected:  F   128_A      F   128_A
#   possible swapping detected:  F   133_A      F   133_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    0.585   1.078     5.958   65.595   43.810
LGA    V    24_A      V    24_A     1.226     0    0.036   0.130     1.495   83.690   84.014
LGA    Q    25_A      Q    25_A     0.447     0    0.032   1.298     4.843   97.619   81.005
LGA    L    26_A      L    26_A     0.493     0    0.033   0.557     1.713   95.238   91.905
LGA    V    27_A      V    27_A     0.767     0    0.081   0.113     1.439   90.476   89.184
LGA    E    28_A      E    28_A     0.679     0    0.028   0.983     2.902   92.857   85.820
LGA    S    29_A      S    29_A     0.558     0    0.026   0.686     2.452   90.476   87.778
LGA    G    30_A      G    30_A     0.667     0    0.037   0.037     0.723   90.476   90.476
LGA    G    31_A      G    31_A     0.446     0    0.041   0.041     0.607   95.238   95.238
LGA    G    32_A      G    32_A     0.486     0    0.052   0.052     0.486  100.000  100.000
LGA    S    33_A      S    33_A     0.142     0    0.023   0.085     0.184  100.000  100.000
LGA    V    34_A      V    34_A     0.351     0    0.036   0.179     0.648  100.000   98.639
LGA    Q    35_A      Q    35_A     0.381     0    0.105   0.698     3.422   97.619   84.497
LGA    A    36_A      A    36_A     0.517     0    0.030   0.048     0.824   90.476   90.476
LGA    G    37_A      G    37_A     0.494     0    0.075   0.075     0.520   97.619   97.619
LGA    G    38_A      G    38_A     0.415     0    0.013   0.013     0.596   97.619   97.619
LGA    S    39_A      S    39_A     0.471     0    0.043   0.703     2.155   92.857   87.778
LGA    L    40_A      L    40_A     0.270     0    0.057   1.275     3.721   97.619   84.940
LGA    R    41_A      R    41_A     0.502     0    0.051   1.308     6.525   92.857   68.745
LGA    L    42_A      L    42_A     0.468     0    0.057   0.122     0.710   97.619   95.238
LGA    S    43_A      S    43_A     0.611     0    0.035   0.055     0.694   95.238   93.651
LGA    C    44_A      C    44_A     0.298     0    0.046   0.177     0.925  100.000   96.825
LGA    A    45_A      A    45_A     0.570     0    0.031   0.065     0.902   92.857   92.381
LGA    A    46_A      A    46_A     0.550     0    0.057   0.080     0.808   90.476   90.476
LGA    S    47_A      S    47_A     0.861     0    0.650   0.862     4.089   82.143   73.095
LGA    A    48_A      A    48_A     2.553     0    0.159   0.212     4.614   49.167   53.905
LGA    F    49_A      F    49_A     4.854     0    0.204   0.772    12.443   45.833   18.658
LGA    G    50_A      G    50_A     4.140     0    0.361   0.361     4.416   49.048   49.048
LGA    N    51_A      N    51_A     3.096     0    0.658   1.186     8.582   50.119   30.833
LGA    Y    52_A      Y    52_A     0.943     0    0.051   1.200     8.605   88.214   58.294
LGA    M    53_A      M    53_A     0.695     0    0.079   1.158     4.028   90.476   76.488
LGA    G    54_A      G    54_A     0.460     0    0.084   0.084     0.715   95.238   95.238
LGA    W    55_A      W    55_A     0.865     0    0.037   0.103     1.052   90.476   89.184
LGA    F    56_A      F    56_A     0.826     0    0.033   0.235     1.025   90.476   89.697
LGA    R    57_A      R    57_A     0.679     0    0.025   0.115     0.785   90.476   93.074
LGA    Q    58_A      Q    58_A     1.055     0    0.045   0.184     2.094   88.214   78.783
LGA    A    59_A      A    59_A     0.725     0    0.037   0.068     1.155   88.214   88.667
LGA    P    60_A      P    60_A     0.737     0    0.054   0.161     1.121   85.952   89.252
LGA    G    61_A      G    61_A     1.951     0    0.142   0.142     3.095   67.262   67.262
LGA    K    62_A      K    62_A     1.786     2    0.044   0.714     2.602   72.857   55.873
LGA    E    63_A      E    63_A     2.263     0    0.022   0.629     4.022   68.810   55.503
LGA    R    64_A      R    64_A     1.639     0    0.046   1.072     3.439   75.000   67.922
LGA    E    65_A      E    65_A     1.084     0    0.070   0.744     2.581   83.690   78.942
LGA    G    66_A      G    66_A     1.138     0    0.050   0.050     1.250   85.952   85.952
LGA    V    67_A      V    67_A     0.405     0    0.051   0.277     0.947   95.238   95.918
LGA    A    68_A      A    68_A     0.725     0    0.057   0.090     0.788   90.476   90.476
LGA    A    69_A      A    69_A     0.526     0    0.019   0.029     0.553   90.476   92.381
LGA    I    70_A      I    70_A     0.577     0    0.060   0.099     0.821   90.476   90.476
LGA    R    71_A      R    71_A     0.696     0    0.166   1.086     8.251   83.810   51.558
LGA    T    72_A      T    72_A     0.931     0    0.067   1.057     3.466   88.214   80.884
LGA    G    73_A      G    73_A     1.647     0    0.567   0.567     4.779   62.976   62.976
LGA    G    74_A      G    74_A     3.765     0    0.207   0.207     3.765   57.619   57.619
LGA    G    75_A      G    75_A     2.941     0    0.275   0.275     3.386   63.333   63.333
LGA    S    76_A      S    76_A     1.049     0    0.053   0.754     3.506   88.333   79.683
LGA    T    77_A      T    77_A     0.604     0    0.040   0.121     0.641   95.238   93.197
LGA    Y    78_A      Y    78_A     0.332     0    0.036   0.256     2.397   97.619   82.659
LGA    Y    79_A      Y    79_A     0.141     0    0.036   0.082     0.580  100.000   99.206
LGA    T    80_A      T    80_A     0.148     0    0.061   1.280     2.412  100.000   88.571
LGA    D    81_A      D    81_A     0.079     0    0.038   0.268     0.898  100.000   97.619
LGA    S    82_A      S    82_A     0.175     0    0.144   0.139     0.930   97.619   98.413
LGA    V    83_A      V    83_A     0.278     0    0.047   0.162     0.913  100.000   98.639
LGA    K    84_A      K    84_A     0.523     0    0.042   0.880     2.769   92.857   82.963
LGA    G    85_A      G    85_A     0.902     0    0.156   0.156     1.580   86.071   86.071
LGA    R    86_A      R    86_A     0.449     0    0.047   0.161     0.821  100.000   94.805
LGA    F    87_A      F    87_A     0.305     0    0.025   0.334     0.987  100.000   95.671
LGA    T    88_A      T    88_A     0.332     0    0.071   0.077     0.520  100.000   98.639
LGA    I    89_A      I    89_A     0.172     0    0.045   1.014     2.405  100.000   88.810
LGA    S    90_A      S    90_A     0.177     0    0.038   0.044     0.222  100.000  100.000
LGA    Q    91_A      Q    91_A     0.189     0    0.045   0.678     3.195   97.619   78.042
LGA    D    92_A      D    92_A     0.458     0    0.045   0.230     1.191   95.238   92.917
LGA    K    93_A      K    93_A     0.534     0    0.039   0.955     2.724   95.238   86.032
LGA    A    94_A      A    94_A     0.766     0    0.043   0.057     1.013   90.476   88.667
LGA    K    95_A      K    95_A     0.940     0    0.162   0.741     2.352   90.476   81.693
LGA    N    96_A      N    96_A     0.466     0    0.106   0.980     3.149   97.619   82.619
LGA    T    97_A      T    97_A     0.074     0    0.069   1.059     2.250  100.000   89.932
LGA    V    98_A      V    98_A     0.278     0    0.048   0.753     2.009  100.000   92.313
LGA    Y    99_A      Y    99_A     0.210     0    0.030   0.104     0.881  100.000   96.825
LGA    L   100_A      L   100_A     0.569     0    0.062   0.169     0.612   92.857   92.857
LGA    Q   101_A      Q   101_A     0.612     0    0.022   1.341     4.568   95.238   79.471
LGA    M   102_A      M   102_A     0.291     0    0.081   0.123     0.675   97.619   96.429
LGA    N   103_A      N   103_A     0.338     0    0.045   0.081     0.571  100.000   97.619
LGA    S   104_A      S   104_A     0.364     0    0.034   0.750     2.306   97.619   92.540
LGA    L   105_A      L   105_A     0.329     0    0.058   0.222     0.688  100.000   98.810
LGA    K   106_A      K   106_A     0.493     0    0.063   0.878     2.727   97.619   87.989
LGA    P   107_A      P   107_A     0.621     0    0.104   0.157     0.868   90.476   90.476
LGA    E   108_A      E   108_A     0.776     0    0.117   0.981     3.004   95.238   84.074
LGA    D   109_A      D   109_A     0.347     0    0.054   0.122     0.481  100.000  100.000
LGA    T   110_A      T   110_A     0.453     0    0.033   0.196     0.732   97.619   95.918
LGA    A   111_A      A   111_A     0.601     0    0.065   0.072     0.676   92.857   92.381
LGA    M   112_A      M   112_A     0.693     0    0.059   0.188     1.409   90.476   89.345
LGA    Y   113_A      Y   113_A     0.614     0    0.028   0.121     0.741   90.476   94.444
LGA    V   114_A      V   114_A     0.869     0    0.026   1.073     2.665   90.476   81.905
LGA    C   115_A      C   115_A     0.390     0    0.050   0.116     0.723   97.619   96.825
LGA    A   116_A      A   116_A     0.386     0    0.062   0.080     0.585   97.619   98.095
LGA    T   117_A      T   117_A     0.399     0    0.093   1.093     2.990  100.000   87.483
LGA    A   118_A      A   118_A     1.167     0    0.157   0.213     1.530   81.548   81.524
LGA    G   119_A      G   119_A     1.099     0    0.607   0.607     1.413   85.952   85.952
LGA    D   120_A      D   120_A     3.294     0    0.113   1.338     9.053   59.286   35.000
LGA    R   121_A      R   121_A     5.276     0    0.431   0.359    12.956   21.905    9.048
LGA    W   122_A      W   122_A     7.201     0    0.610   0.626    17.215   16.429    5.000
LGA    H   123_A      H   123_A     5.552     0    0.035   1.125    10.529   25.357   12.857
LGA    A   124_A      A   124_A     2.501     0    0.096   0.110     3.521   57.500   62.286
LGA    T   125_A      T   125_A     0.992     0    0.701   0.628     2.603   77.738   83.197
LGA    D   126_A      D   126_A     2.475     0    0.117   0.929     6.441   62.857   46.667
LGA    A   127_A      A   127_A     2.670     0    0.809   0.733     4.286   56.071   56.286
LGA    F   128_A      F   128_A     2.644     0    0.275   0.303     4.157   65.000   54.502
LGA    I   129_A      I   129_A     1.058     0    0.097   1.084     2.102   79.286   76.131
LGA    L   130_A      L   130_A     1.897     0    0.193   1.411     6.897   79.286   58.452
LGA    R   131_A      R   131_A     1.064     0    0.055   0.875     3.181   88.333   75.931
LGA    D   132_A      D   132_A     0.622     0    0.041   1.052     3.512   90.476   80.179
LGA    F   133_A      F   133_A     0.726     0    0.142   1.026     6.703   88.214   60.043
LGA    V   134_A      V   134_A     0.774     0    0.092   1.234     2.795   88.214   79.660
LGA    Y   135_A      Y   135_A     0.349     0    0.110   0.148     1.160   97.619   93.730
LGA    E   136_A      E   136_A     0.344     0    0.064   0.687     2.057  100.000   88.889
LGA    Y   137_A      Y   137_A     0.162     0    0.047   0.435     2.530  100.000   82.897
LGA    W   138_A      W   138_A     0.265     0    0.053   0.082     0.576   97.619   99.320
LGA    G   139_A      G   139_A     0.299     0    0.064   0.064     0.424  100.000  100.000
LGA    Q   140_A      Q   140_A     0.227     0    0.044   1.302     5.194  100.000   78.201
LGA    G   141_A      G   141_A     0.794     0    0.089   0.089     1.203   88.214   88.214
LGA    T   142_A      T   142_A     0.935     0    0.019   0.116     1.261   90.476   87.891
LGA    Q   143_A      Q   143_A     0.658     0    0.035   1.163     3.369   90.476   79.524
LGA    V   144_A      V   144_A     0.267     0    0.016   0.067     0.526  100.000   98.639
LGA    T   145_A      T   145_A     0.139     0    0.054   0.073     0.383  100.000  100.000
LGA    V   146_A      V   146_A     0.313     0    0.027   0.079     0.647  100.000   98.639
LGA    S   147_A      S   147_A     0.578     0    0.062   0.153     2.046   84.167   84.762
LGA    S   148_A      S   148_A     1.850     0    0.552   0.652     3.892   65.595   68.016
LGA    A   149_A      A   149_A     2.341     0    0.685   0.673     3.379   61.071   61.810

# 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):     1.545          1.516                  2.735           87.021   81.207

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    124    1.32    90.551    94.771     8.707

LGA_LOCAL      RMSD:   1.324  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.546  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.545  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.669858 * X  +  -0.712803 * Y  +  -0.207849 * Z  +  21.915638
  Y_new =   0.712557 * X  +  -0.538470 * Y  +  -0.449792 * Z  +  21.281843
  Z_new =   0.208693 * X  +  -0.449401 * Y  +   0.868611 * Z  +  52.012348 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.325317 -0.210238 -0.477454   [DEG:  133.2309  -12.0458  -27.3561 ]
ZXZ: -0.432871  0.518403  2.706845   [DEG:  -24.8017   29.7023  155.0908 ]
 
# END of job
