
#######################################################
#                                                     #
#                        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       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      23_A - 119_A       0.93     1.50
  LONGEST_CONTINUOUS_SEGMENT:    97      24_A - 120_A       0.90     1.48
  LCS_AVERAGE:     63.22

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   11   27   71  116  120  121  123  125  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     97  127  127      7   74  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     97  127  127     66  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     97  127  127     82  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     97  127  127     82  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     97  127  127      3    3    7  108  117  120  120  123  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A     97  127  127      3    3    5   16   23   79  120  122  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A     97  127  127     18   99  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     97  127  127     14  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     97  127  127     77  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     97  127  127     77  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     97  127  127     77  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     97  127  127     77  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     97  127  127     67  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     97  127  127     53  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     97  127  127     12  101  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     97  127  127     48  103  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     97  127  127     64  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     97  127  127     86  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     97  127  127     69  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     97  127  127     74  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     97  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     97  127  127      3   75  107  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     97  127  127      2   75  109  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     97  127  127      3    3    4    5   99  117  120  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A     96  127  127      3    4    6   20  104  117  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      3  127  127      3    3    4    9   76  109  119  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      4  127  127      3    4    6   15   23  100  110  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      4  127  127      3    4    6   29  104  117  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A      8  127  127      5    5   15   29  111  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     24  127  127      5    8   61  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     24  127  127      5  103  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     24  127  127     18   70  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     24  127  127     71  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     24  127  127      4   77  111  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     24  127  127      8  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     24  127  127     88  105  112  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     24  127  127      7   72  110  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     24  127  127     16   47  107  116  118  120  121  124  125  126  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  87.74  (  63.22  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     88    105    112    116    118    120    121    124    125    126    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  69.29  82.68  88.19  91.34  92.91  94.49  95.28  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    0.30   0.42   0.56   0.67   0.72   0.85   1.01   1.29   1.32   1.37   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.47   1.47   1.50   1.47   1.47   1.47   1.45   1.45   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  F   133_A      F   133_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  E   136_A      E   136_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     5.310     0    0.603   0.859     9.602   35.952   20.952
LGA    V    24_A      V    24_A     2.539     0    0.030   1.095     4.234   55.595   51.429
LGA    Q    25_A      Q    25_A     1.222     0    0.029   1.411     6.888   85.952   61.376
LGA    L    26_A      L    26_A     0.383     0    0.082   0.983     3.030   97.619   85.655
LGA    V    27_A      V    27_A     0.207     0    0.036   0.090     0.431  100.000  100.000
LGA    E    28_A      E    28_A     0.248     0    0.032   0.629     1.154  100.000   92.751
LGA    S    29_A      S    29_A     0.114     0    0.015   0.652     2.108  100.000   94.127
LGA    G    30_A      G    30_A     0.251     0    0.030   0.030     0.422  100.000  100.000
LGA    G    31_A      G    31_A     0.094     0    0.048   0.048     0.168  100.000  100.000
LGA    G    32_A      G    32_A     0.124     0    0.039   0.039     0.179  100.000  100.000
LGA    S    33_A      S    33_A     0.310     0    0.020   0.789     2.649  100.000   92.857
LGA    V    34_A      V    34_A     0.417     0    0.027   1.271     2.971  100.000   87.483
LGA    Q    35_A      Q    35_A     0.240     0    0.096   0.317     1.103  100.000   96.878
LGA    A    36_A      A    36_A     0.238     0    0.028   0.043     0.525  100.000   98.095
LGA    G    37_A      G    37_A     0.337     0    0.048   0.048     0.337  100.000  100.000
LGA    G    38_A      G    38_A     0.281     0    0.018   0.018     0.453  100.000  100.000
LGA    S    39_A      S    39_A     0.368     0    0.043   0.100     0.508  100.000   98.413
LGA    L    40_A      L    40_A     0.169     0    0.065   1.266     2.799  100.000   85.893
LGA    R    41_A      R    41_A     0.219     0    0.027   1.206     3.485  100.000   82.468
LGA    L    42_A      L    42_A     0.243     0    0.053   0.114     0.409  100.000  100.000
LGA    S    43_A      S    43_A     0.203     0    0.032   0.660     1.885  100.000   95.476
LGA    C    44_A      C    44_A     0.277     0    0.026   0.048     0.285  100.000  100.000
LGA    A    45_A      A    45_A     0.396     0    0.038   0.070     0.657   95.238   94.286
LGA    A    46_A      A    46_A     0.728     0    0.050   0.077     0.846   90.476   90.476
LGA    S    47_A      S    47_A     0.947     0    0.682   0.702     4.779   78.095   68.095
LGA    A    48_A      A    48_A     3.338     0    0.292   0.382     5.155   46.071   46.857
LGA    F    49_A      F    49_A     4.364     0    0.312   1.019    12.535   45.357   18.745
LGA    G    50_A      G    50_A     1.859     0    0.145   0.145     2.664   66.905   66.905
LGA    N    51_A      N    51_A     1.610     0    0.196   0.860     2.301   77.143   75.119
LGA    Y    52_A      Y    52_A     0.774     0    0.049   1.253     7.954   90.476   61.944
LGA    M    53_A      M    53_A     0.679     0    0.074   1.102     3.004   90.476   82.440
LGA    G    54_A      G    54_A     0.169     0    0.103   0.103     0.329  100.000  100.000
LGA    W    55_A      W    55_A     0.351     0    0.036   0.094     0.462  100.000  100.000
LGA    F    56_A      F    56_A     0.305     0    0.053   0.136     0.803  100.000   96.537
LGA    R    57_A      R    57_A     0.276     0    0.019   0.297     1.369  100.000   97.446
LGA    Q    58_A      Q    58_A     0.431     0    0.039   0.706     2.708  100.000   88.995
LGA    A    59_A      A    59_A     0.304     0    0.029   0.057     0.437  100.000  100.000
LGA    P    60_A      P    60_A     0.315     0    0.042   0.167     0.583   97.619   97.279
LGA    G    61_A      G    61_A     0.837     0    0.186   0.186     1.837   83.810   83.810
LGA    K    62_A      K    62_A     0.425     2    0.034   0.459     1.524  100.000   73.704
LGA    E    63_A      E    63_A     0.717     0    0.024   1.205     4.651   90.476   74.497
LGA    R    64_A      R    64_A     0.659     0    0.032   1.004     3.678   90.476   76.926
LGA    E    65_A      E    65_A     0.554     0    0.051   0.432     1.365   92.857   91.640
LGA    G    66_A      G    66_A     0.750     0    0.029   0.029     0.803   92.857   92.857
LGA    V    67_A      V    67_A     0.340     0    0.054   0.328     1.235  100.000   95.986
LGA    A    68_A      A    68_A     0.701     0    0.046   0.066     0.735   90.476   90.476
LGA    A    69_A      A    69_A     0.601     0    0.028   0.045     0.692   90.476   90.476
LGA    I    70_A      I    70_A     0.547     0    0.061   1.173     3.126   90.476   78.036
LGA    R    71_A      R    71_A     0.745     0    0.068   1.104     6.557   85.952   58.139
LGA    T    72_A      T    72_A     1.269     0    0.091   0.110     1.724   81.429   81.497
LGA    G    73_A      G    73_A     1.732     0    0.564   0.564     3.829   67.619   67.619
LGA    G    74_A      G    74_A     1.750     0    0.089   0.089     1.757   77.143   77.143
LGA    G    75_A      G    75_A     0.748     0    0.104   0.104     1.081   88.214   88.214
LGA    S    76_A      S    76_A     0.803     0    0.031   0.066     0.839   90.476   90.476
LGA    T    77_A      T    77_A     0.977     0    0.040   1.019     3.136   90.476   80.884
LGA    Y    78_A      Y    78_A     0.656     0    0.022   1.306     9.623   90.476   53.294
LGA    Y    79_A      Y    79_A     0.387     0    0.034   0.051     0.599  100.000   96.825
LGA    T    80_A      T    80_A     0.249     0    0.059   0.132     0.491  100.000  100.000
LGA    D    81_A      D    81_A     0.378     0    0.024   0.170     0.866  100.000   98.810
LGA    S    82_A      S    82_A     0.346     0    0.129   0.124     0.646   97.619   96.825
LGA    V    83_A      V    83_A     0.481     0    0.043   0.143     0.761  100.000   95.918
LGA    K    84_A      K    84_A     0.682     0    0.031   0.902     2.706   90.476   83.915
LGA    G    85_A      G    85_A     0.931     0    0.184   0.184     1.661   83.810   83.810
LGA    R    86_A      R    86_A     0.491     0    0.050   1.055     2.673   97.619   86.926
LGA    F    87_A      F    87_A     0.307     0    0.023   0.268     0.835  100.000   96.537
LGA    T    88_A      T    88_A     0.417     0    0.077   0.079     0.692  100.000   95.918
LGA    I    89_A      I    89_A     0.300     0    0.044   0.131     0.409  100.000  100.000
LGA    S    90_A      S    90_A     0.277     0    0.045   0.643     1.846  100.000   95.476
LGA    Q    91_A      Q    91_A     0.300     0    0.044   0.988     4.408   97.619   82.222
LGA    D    92_A      D    92_A     0.359     0    0.102   0.268     1.188   97.619   95.298
LGA    K    93_A      K    93_A     0.732     0    0.067   0.997     6.389   90.476   65.979
LGA    A    94_A      A    94_A     0.359     0    0.039   0.048     0.500   97.619   98.095
LGA    K    95_A      K    95_A     0.609     0    0.199   0.888     3.048   90.476   82.116
LGA    N    96_A      N    96_A     0.501     0    0.050   0.989     4.002   95.238   78.274
LGA    T    97_A      T    97_A     0.115     0    0.061   0.103     0.532  100.000   98.639
LGA    V    98_A      V    98_A     0.177     0    0.036   0.160     0.472  100.000  100.000
LGA    Y    99_A      Y    99_A     0.300     0    0.050   0.119     0.996  100.000   96.032
LGA    L   100_A      L   100_A     0.352     0    0.073   0.122     0.413  100.000  100.000
LGA    Q   101_A      Q   101_A     0.398     0    0.029   0.145     0.588  100.000   96.825
LGA    M   102_A      M   102_A     0.195     0    0.029   0.700     2.490  100.000   95.595
LGA    N   103_A      N   103_A     0.348     0    0.044   0.115     0.851  100.000   96.429
LGA    S   104_A      S   104_A     0.352     0    0.029   0.752     2.565  100.000   92.857
LGA    L   105_A      L   105_A     0.341     0    0.042   0.225     0.581  100.000   98.810
LGA    K   106_A      K   106_A     0.367     0    0.068   0.190     0.506  100.000   98.942
LGA    P   107_A      P   107_A     0.421     0    0.096   0.146     0.559  100.000   97.279
LGA    E   108_A      E   108_A     0.415     0    0.122   0.917     3.153  100.000   84.550
LGA    D   109_A      D   109_A     0.266     0    0.065   0.167     0.518   97.619   98.810
LGA    T   110_A      T   110_A     0.279     0    0.022   0.212     0.604  100.000   98.639
LGA    A   111_A      A   111_A     0.338     0    0.074   0.082     0.387  100.000  100.000
LGA    M   112_A      M   112_A     0.358     0    0.058   1.105     4.499  100.000   86.786
LGA    Y   113_A      Y   113_A     0.254     0    0.029   0.103     0.434  100.000  100.000
LGA    V   114_A      V   114_A     0.153     0    0.025   1.069     2.503  100.000   88.844
LGA    C   115_A      C   115_A     0.310     0    0.064   0.633     1.763  100.000   93.889
LGA    A   116_A      A   116_A     0.462     0    0.071   0.074     0.483  100.000  100.000
LGA    T   117_A      T   117_A     0.643     0    0.171   1.125     3.609   95.238   82.653
LGA    A   118_A      A   118_A     1.738     0    0.175   0.240     2.060   75.000   72.952
LGA    G   119_A      G   119_A     1.464     0    0.565   0.565     1.486   83.690   83.690
LGA    D   120_A      D   120_A     4.061     0    0.663   1.251     9.523   41.905   24.821
LGA    R   121_A      R   121_A     4.355     0    0.477   0.582    10.053   38.929   20.260
LGA    W   122_A      W   122_A     5.466     0    0.016   1.114    11.471   26.190   11.156
LGA    H   123_A      H   123_A     5.808     0    0.602   1.224     7.857   16.786   20.905
LGA    A   124_A      A   124_A     4.264     0    0.175   0.208     4.742   51.071   47.143
LGA    T   125_A      T   125_A     3.754     0    0.482   0.524     7.302   53.810   36.531
LGA    D   126_A      D   126_A     2.009     0    0.054   1.054     4.654   68.810   56.310
LGA    A   127_A      A   127_A     1.962     0    0.197   0.196     2.637   69.048   68.190
LGA    F   128_A      F   128_A     2.354     0    0.215   1.091    10.830   72.976   35.801
LGA    I   129_A      I   129_A     0.939     0    0.101   0.756     2.285   85.952   83.929
LGA    L   130_A      L   130_A     1.495     0    0.184   0.922     5.964   83.690   60.238
LGA    R   131_A      R   131_A     1.243     0    0.052   1.388     6.008   85.952   52.511
LGA    D   132_A      D   132_A     0.459     0    0.032   0.248     1.056   92.857   94.107
LGA    F   133_A      F   133_A     1.037     0    0.126   1.153     7.921   81.548   52.251
LGA    V   134_A      V   134_A     1.083     0    0.136   1.243     3.127   81.429   74.558
LGA    Y   135_A      Y   135_A     0.799     0    0.100   1.445     8.874   86.071   54.087
LGA    E   136_A      E   136_A     0.774     0    0.037   0.704     2.185   90.476   87.619
LGA    Y   137_A      Y   137_A     0.615     0    0.036   0.276     1.583   92.857   86.825
LGA    W   138_A      W   138_A     0.554     0    0.064   0.658     5.847   90.476   66.939
LGA    G   139_A      G   139_A     0.496     0    0.071   0.071     0.600   97.619   97.619
LGA    Q   140_A      Q   140_A     0.502     0    0.023   1.290     4.851   95.238   77.090
LGA    G   141_A      G   141_A     0.182     0    0.015   0.015     0.319  100.000  100.000
LGA    T   142_A      T   142_A     0.464     0    0.018   0.110     0.755  100.000   95.918
LGA    Q   143_A      Q   143_A     0.379     0    0.040   0.162     0.701  100.000   96.825
LGA    V   144_A      V   144_A     0.182     0    0.022   0.105     0.519  100.000   98.639
LGA    T   145_A      T   145_A     0.200     0    0.055   0.096     0.561  100.000   98.639
LGA    V   146_A      V   146_A     0.117     0    0.028   0.084     0.468  100.000  100.000
LGA    S   147_A      S   147_A     0.152     0    0.069   0.167     1.939   90.833   86.270
LGA    S   148_A      S   148_A     1.603     0    0.556   0.657     3.749   69.881   69.524
LGA    A   149_A      A   149_A     2.150     0    0.693   0.680     3.345   61.071   63.429

# 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):     1.441          1.424                  2.617           89.467   82.582

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    124    1.29    92.913    95.835     8.901

LGA_LOCAL      RMSD:   1.293  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.446  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.441  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.568888 * X  +  -0.707520 * Y  +  -0.419264 * Z  +  18.762709
  Y_new =   0.741271 * X  +  -0.220318 * Y  +  -0.634017 * Z  +   4.247819
  Z_new =   0.356208 * X  +  -0.671473 * Y  +   0.649800 * Z  +  66.197845 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.225372 -0.364207 -0.801800   [DEG:  127.5044  -20.8675  -45.9397 ]
ZXZ: -0.584265  0.863475  2.653853   [DEG:  -33.4759   49.4735  152.0546 ]
 
# END of job
