
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.45     1.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.45     1.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       5_B - 102_B       0.88     1.50
  LCS_AVERAGE:     63.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     Q     5_B     Q     5_B     98  125  125     45   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     98  125  125     66   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     98  125  125     61   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     98  125  125     23   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     98  125  125     61   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     98  125  125     50   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     98  125  125     49   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     98  125  125     48   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     98  125  125     20   92  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     98  125  125      3   48   72  111  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     98  125  125     62   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     98  125  125      3   74  103  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     98  125  125      3   10   19  107  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     98  125  125      4   47  101  112  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     98  125  125      4   92  107  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     98  125  125     56   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     98  125  125     19   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     98  125  125     63   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     98  125  125     61   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     98  125  125     51   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     98  125  125     66   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     98  125  125     62   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     98  125  125      6   69  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     98  125  125     20   86  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     98  125  125      3   93  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     98  125  125     29   97  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     98  125  125     40   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     98  125  125     62   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     98  125  125     62   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     98  125  125     53   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     98  125  125     44   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     98  125  125     55   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     98  125  125     38   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     98  125  125     66   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     98  125  125     20   97  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     98  125  125      7   97  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     98  125  125      7   91  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     98  125  125     65   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     98  125  125      5   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     98  125  125     65   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     98  125  125     41   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     98  125  125     36   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     98  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     98  125  125      3   28  107  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     71  125  125      3    4    4    5   64   85  117  119  120  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B     71  125  125      3   97  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      4  125  125      3    4    8   11   82  102  118  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      3    3   52   90  114  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      4  125  125      3    3    4   90  111  117  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      5  125  125      4   37  108  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      5  125  125      3    4    6   15   40   80  115  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      5  125  125      3    4    6    6   85  112  120  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      5  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      5  125  125     66   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      4  125  125     62   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      4  125  125     12   93  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      3  125  125      3    4   55   90  112  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125      3   78  107  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     40   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     66   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125     67   98  110  113  116  119  121  123  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  87.98  (  63.94  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     67     98    110    113    116    119    121    123    124    124    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  53.60  78.40  88.00  90.40  92.80  95.20  96.80  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.50   0.67   0.74   0.82   0.95   1.09   1.28   1.36   1.36   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45
GDT RMS_ALL_AT   1.58   1.51   1.48   1.49   1.49   1.48   1.46   1.46   1.46   1.46   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45

# Checking swapping
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    82_B      Y    82_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     1.042     0    0.671   1.160     8.559   81.786   46.032
LGA    L     6_B      L     6_B     0.499     0    0.056   1.113     2.605   92.857   85.714
LGA    V     7_B      V     7_B     0.576     0    0.110   0.896     2.062   90.476   84.286
LGA    E     8_B      E     8_B     0.694     0    0.027   0.346     0.771   90.476   92.593
LGA    S     9_B      S     9_B     0.440     0    0.048   0.722     2.341   97.619   92.540
LGA    G    10_B      G    10_B     0.723     0    0.686   0.686     3.350   80.476   80.476
LGA    G    11_B      G    11_B     0.922     0    0.077   0.077     1.185   88.214   88.214
LGA    G    12_B      G    12_B     0.904     0    0.024   0.024     0.904   90.476   90.476
LGA    L    13_B      L    13_B     1.045     0    0.138   1.080     4.395   79.286   72.738
LGA    V    14_B      V    14_B     0.615     0    0.043   1.102     2.341   95.238   85.850
LGA    Q    15_B      Q    15_B     0.457     0    0.071   0.403     1.190   97.619   93.704
LGA    A    16_B      A    16_B     0.480     0    0.073   0.082     0.636   95.238   94.286
LGA    G    17_B      G    17_B     0.509     0    0.073   0.073     0.509   97.619   97.619
LGA    G    18_B      G    18_B     0.544     0    0.105   0.105     1.048   88.214   88.214
LGA    S    19_B      S    19_B     0.658     0    0.029   0.075     1.132   92.857   90.556
LGA    L    20_B      L    20_B     0.411     0    0.056   1.266     3.904   97.619   83.810
LGA    G    21_B      G    21_B     0.587     0    0.076   0.076     0.587   95.238   95.238
LGA    L    22_B      L    22_B     0.286     0    0.055   0.097     0.421  100.000  100.000
LGA    S    23_B      S    23_B     0.153     0    0.033   0.753     2.064   97.619   92.540
LGA    C    24_B      C    24_B     0.325     0    0.041   0.061     0.504   97.619   98.413
LGA    A    25_B      A    25_B     0.535     0    0.063   0.095     0.615   92.857   92.381
LGA    A    26_B      A    26_B     0.847     0    0.021   0.033     1.188   85.952   86.857
LGA    S    27_B      S    27_B     1.109     0    0.107   0.576     4.365   81.786   72.857
LGA    G    28_B      G    28_B     1.333     0    0.540   0.540     3.800   72.381   72.381
LGA    R    29_B      R    29_B     2.981     0    0.474   0.780    13.161   62.976   26.926
LGA    T    30_B      T    30_B     0.612     0    0.178   0.285     2.946   83.810   74.626
LGA    F    31_B      F    31_B     2.232     0    0.383   1.212     6.854   70.952   44.719
LGA    S    32_B      S    32_B     2.869     0    0.265   0.672     3.987   65.119   60.159
LGA    N    33_B      N    33_B     2.340     0    0.470   1.053     4.613   69.048   54.762
LGA    Y    34_B      Y    34_B     1.583     0    0.186   1.114     7.565   66.905   50.040
LGA    V    35_B      V    35_B     0.776     0    0.081   0.946     1.954   90.476   84.150
LGA    M    36_B      M    36_B     0.934     0    0.056   1.149     2.297   90.476   81.786
LGA    A    37_B      A    37_B     0.606     0    0.054   0.056     0.794   92.857   92.381
LGA    W    38_B      W    38_B     0.410     0    0.042   0.081     0.499  100.000  100.000
LGA    F    39_B      F    39_B     0.428     0    0.042   0.062     0.772  100.000   93.939
LGA    R    40_B      R    40_B     0.386     0    0.034   1.095     2.467  100.000   85.195
LGA    Q    41_B      Q    41_B     0.421     0    0.023   0.957     3.182  100.000   91.323
LGA    A    42_B      A    42_B     0.601     0    0.070   0.073     0.827   90.476   90.476
LGA    P    43_B      P    43_B     0.639     0    0.124   0.399     1.764   90.476   87.959
LGA    G    44_B      G    44_B     1.111     0    0.104   0.104     1.111   88.214   88.214
LGA    K    45_B      K    45_B     0.606     0    0.092   0.935     4.778   95.238   80.529
LGA    E    46_B      E    46_B     0.503     0    0.056   0.838     2.519   90.476   80.000
LGA    R    47_B      R    47_B     0.667     0    0.077   1.286     5.270   90.476   74.026
LGA    E    48_B      E    48_B     0.620     0    0.036   0.609     2.009   97.619   88.783
LGA    F    49_B      F    49_B     0.362     0    0.072   0.159     1.138   97.619   90.606
LGA    V    50_B      V    50_B     0.215     0    0.052   0.094     0.686   97.619   97.279
LGA    A    51_B      A    51_B     0.729     0    0.019   0.032     0.816   90.476   90.476
LGA    R    52_B      R    52_B     0.661     0    0.071   1.000     4.812   92.857   75.238
LGA    I    53_B      I    53_B     0.688     0    0.024   0.163     0.963   90.476   90.476
LGA    S    54_B      S    54_B     0.479     0    0.167   0.693     2.692   92.976   86.587
LGA    E    55_B      E    55_B     1.634     0    0.179   1.332     9.186   75.119   46.455
LGA    S    56_B      S    56_B     1.659     0    0.212   0.225     2.018   77.143   74.365
LGA    R    57_B      R    57_B     1.524     0    0.240   1.288     5.652   75.000   62.554
LGA    G    58_B      G    58_B     1.040     0    0.109   0.109     1.173   83.690   83.690
LGA    T    59_B      T    59_B     0.653     0    0.030   1.319     2.647   95.238   83.673
LGA    T    60_B      T    60_B     0.498     0    0.022   0.879     2.786   97.619   86.122
LGA    D    61_B      D    61_B     0.431     0    0.038   0.274     0.597   97.619   97.619
LGA    Y    62_B      Y    62_B     0.432     0    0.030   0.130     0.564  100.000   98.413
LGA    A    63_B      A    63_B     0.628     0    0.053   0.053     0.643   92.857   92.381
LGA    D    64_B      D    64_B     0.771     0    0.094   0.775     2.137   90.476   83.929
LGA    S    65_B      S    65_B     1.189     0    0.134   0.142     1.471   81.429   82.937
LGA    V    66_B      V    66_B     0.925     0    0.098   0.197     1.206   88.214   89.184
LGA    K    67_B      K    67_B     0.720     0    0.031   1.011     5.786   90.476   69.947
LGA    G    68_B      G    68_B     0.793     0    0.052   0.052     0.794   90.476   90.476
LGA    R    69_B      R    69_B     0.551     0    0.026   0.461     1.785   95.238   88.961
LGA    F    70_B      F    70_B     0.463     0    0.014   0.256     1.184   95.238   92.294
LGA    T    71_B      T    71_B     0.612     0    0.101   0.201     1.015   92.857   91.905
LGA    I    72_B      I    72_B     0.426     0    0.041   0.279     0.760  100.000   97.619
LGA    S    73_B      S    73_B     0.387     0    0.078   0.746     2.720  100.000   92.857
LGA    R    74_B      R    74_B     0.964     0    0.053   1.564     7.309   85.952   61.299
LGA    D    75_B      D    75_B     1.206     0    0.063   0.787     2.604   83.690   81.845
LGA    N    76_B      N    76_B     1.557     0    0.197   1.405     4.280   79.286   69.583
LGA    A    77_B      A    77_B     0.328     0    0.016   0.032     0.977   92.857   94.286
LGA    K    78_B      K    78_B     1.077     0    0.132   0.923     2.505   88.214   78.942
LGA    N    79_B      N    79_B     0.953     0    0.054   0.885     3.267   88.214   76.012
LGA    T    80_B      T    80_B     0.575     0    0.040   1.227     3.031   90.476   81.020
LGA    I    81_B      I    81_B     0.602     0    0.027   1.597     4.588   92.857   76.905
LGA    Y    82_B      Y    82_B     0.491     0    0.028   0.097     0.704   97.619   92.857
LGA    L    83_B      L    83_B     0.643     0    0.048   0.154     0.688   92.857   91.667
LGA    Q    84_B      Q    84_B     0.629     0    0.045   0.156     1.249   92.857   90.529
LGA    M    85_B      M    85_B     0.447     0    0.061   0.158     0.847   97.619   95.238
LGA    N    86_B      N    86_B     0.472     0    0.052   0.392     0.770   97.619   95.238
LGA    S    87_B      S    87_B     0.263     0    0.042   0.140     0.835  100.000   98.413
LGA    L    88_B      L    88_B     0.323     0    0.124   0.297     1.132   97.619   96.488
LGA    N    89_B      N    89_B     0.663     0    0.039   1.291     4.747   90.476   75.714
LGA    P    90_B      P    90_B     0.594     0    0.742   0.939     2.942   82.143   87.075
LGA    G    91_B      G    91_B     1.166     0    0.158   0.158     1.598   83.810   83.810
LGA    D    92_B      D    92_B     0.440     0    0.071   0.172     0.578   97.619   97.619
LGA    T    93_B      T    93_B     0.451     0    0.067   0.846     2.189  100.000   90.952
LGA    A    94_B      A    94_B     0.569     0    0.032   0.038     0.594   95.238   94.286
LGA    V    95_B      V    95_B     0.313     0    0.058   0.160     0.457  100.000  100.000
LGA    Y    96_B      Y    96_B     0.225     0    0.033   0.064     0.379  100.000  100.000
LGA    S    97_B      S    97_B     0.307     0    0.051   0.051     0.455  100.000  100.000
LGA    C    98_B      C    98_B     0.274     0    0.044   0.066     0.398  100.000  100.000
LGA    A    99_B      A    99_B     0.584     0    0.061   0.060     0.619   92.857   92.381
LGA    A   100_B      A   100_B     0.643     0    0.035   0.050     0.779   90.476   90.476
LGA    T   101_B      T   101_B     0.407     0    0.194   0.330     0.841   95.238   94.558
LGA    L   102_B      L   102_B     2.505     0    0.626   0.652     5.086   55.833   50.119
LGA    P   103_B      P   103_B     5.807     0    0.712   0.636     8.718   30.357   20.340
LGA    A   104_B      A   104_B     1.580     0    0.504   0.463     4.224   57.976   56.381
LGA    W   105_B      W   105_B     5.482     0    0.658   1.275    16.315   28.095    9.456
LGA    T   106_B      T   106_B     3.303     0    0.661   1.010     5.288   42.381   50.340
LGA    G   107_B      G   107_B     4.198     0    0.470   0.470     4.198   45.119   45.119
LGA    I   108_B      I   108_B     2.147     0    0.649   1.099     7.288   59.167   46.548
LGA    I   109_B      I   109_B     5.824     0    0.215   1.310    12.922   24.048   13.869
LGA    G   110_B      G   110_B     4.652     0    0.294   0.294     4.652   37.500   37.500
LGA    G   111_B      G   111_B     0.600     0    0.273   0.273     0.851   90.476   90.476
LGA    R   112_B      R   112_B     0.320     0    0.098   0.717     1.811  100.000   89.957
LGA    R   113_B      R   113_B     0.412     0    0.183   1.266     5.991   97.619   76.494
LGA    P   114_B      P   114_B     1.140     0    0.755   0.670     4.111   68.452   78.095
LGA    G   115_B      G   115_B     3.536     0    0.255   0.255     3.536   59.524   59.524
LGA    N   116_B      N   116_B     2.610     0    0.375   1.141     7.779   71.310   47.798
LGA    Y   117_B      Y   117_B     0.497     0    0.183   0.208     0.938   95.238   92.063
LGA    P   118_B      P   118_B     0.694     0    0.049   0.359     1.116   95.238   93.265
LGA    Y   119_B      Y   119_B     0.400     0    0.086   0.162     1.399   97.619   89.841
LGA    W   120_B      W   120_B     0.361     0    0.040   1.114     6.769   97.619   69.762
LGA    G   121_B      G   121_B     0.248     0    0.062   0.062     0.291  100.000  100.000
LGA    Q   122_B      Q   122_B     0.292     0    0.082   1.510     6.340  100.000   72.275
LGA    G   123_B      G   123_B     0.164     0    0.101   0.101     0.570   97.619   97.619
LGA    T   124_B      T   124_B     0.156     0    0.043   0.952     2.328  100.000   91.088
LGA    Q   125_B      Q   125_B     0.232     0    0.023   0.231     0.882  100.000   98.942
LGA    V   126_B      V   126_B     0.374     0    0.043   0.158     0.688   97.619   97.279
LGA    T   127_B      T   127_B     0.488     0    0.081   0.102     0.677   95.238   95.918
LGA    V   128_B      V   128_B     0.734     0    0.082   0.098     1.024   90.476   89.184
LGA    S   129_B      S   129_B     0.822     0    0.171   0.208     1.458   85.952   85.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.454          1.447                  2.591           87.375   81.410

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    123    1.28    91.800    95.618     8.924

LGA_LOCAL      RMSD:   1.278  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.455  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.454  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.499073 * X  +   0.584197 * Y  +  -0.640032 * Z  + 126.448906
  Y_new =   0.845978 * X  +   0.488480 * Y  +  -0.213796 * Z  +  16.304888
  Z_new =   0.187743 * X  +  -0.648153 * Y  +  -0.738005 * Z  +   7.154595 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.103783 -0.188864 -2.420925   [DEG:  120.5379  -10.8211 -138.7088 ]
ZXZ: -1.248410  2.400905  2.859650   [DEG:  -71.5286  137.5617  163.8459 ]
 
# END of job
