
#######################################################
#                                                     #
#                        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  130 (  974),  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       1.78     1.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.78     1.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       5_B - 107_B       0.94     1.88
  LCS_AVERAGE:     69.34

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    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    103  125  125     54   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    103  125  125      8   86  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    103  125  125     39   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    103  125  125     47   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    103  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    103  125  125     54   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    103  125  125     58   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    103  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    103  125  125     10   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    103  125  125      3    5   10   22  111  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    103  125  125     14   84  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    103  125  125      7   79  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    103  125  125     10   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    103  125  125     10   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    103  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    103  125  125     44   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    103  125  125     58   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    103  125  125     25   95  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    103  125  125     47   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    103  125  125     54   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    103  125  125      3   52  106  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    103  125  125     36   94  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    103  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    103  125  125      3   60  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    103  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    103  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    103  125  125     45   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    103  125  125     38   95  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    103  125  125     19   90  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    103  125  125     30   95  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    103  125  125      5   55   87  113  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    103  125  125     26   90  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    103  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    103  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    103  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    103  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    103  125  125     53   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    103  125  125     54   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    103  125  125     41   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    103  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    103  125  125     35   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    103  125  125      9   79  108  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    103  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    103  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    103  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    103  125  125     18   94  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    103  125  125     12   60  108  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    103  125  125     10   73  108  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B    103  125  125     19   72  107  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B    103  125  125      9   48  101  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      4  125  125      3    3    6   11   15   56  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    9   21   62   91  112  117  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    3    4    6    6    6    8   35   92  102  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      3  125  125      3    3    4    6    6   20   22   35   92  102  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      4  125  125      4    4    8   54  110  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      4  125  125      4    4    4   21   46  100  117  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      4  125  125      4    4   17   23   44   96  117  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      4  125  125      4    4    6    9   23   65  117  120  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125     17   95  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     22   95  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     55   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     43   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     60   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     59   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125     50   96  109  114  116  117  118  122  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  89.78  (  69.34  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     60     96    109    114    116    117    118    122    123    123    124    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  48.00  76.80  87.20  91.20  92.80  93.60  94.40  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.54   0.67   0.77   0.85   0.92   0.99   1.38   1.48   1.48   1.61   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78
GDT RMS_ALL_AT   1.93   1.93   1.93   1.89   1.88   1.88   1.86   1.80   1.79   1.79   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.217     0    0.629   1.026     8.608   86.905   49.312
LGA    L     6_B      L     6_B     0.288     0    0.034   0.185     0.680  100.000   98.810
LGA    V     7_B      V     7_B     0.340     0    0.059   0.875     2.459  100.000   89.728
LGA    E     8_B      E     8_B     0.175     0    0.070   0.836     2.587   97.619   86.085
LGA    S     9_B      S     9_B     0.501     0    0.120   0.262     1.505   97.619   92.302
LGA    G    10_B      G    10_B     0.655     0    0.666   0.666     3.074   82.738   82.738
LGA    G    11_B      G    11_B     1.191     0    0.067   0.067     1.350   85.952   85.952
LGA    G    12_B      G    12_B     1.184     0    0.065   0.065     1.184   85.952   85.952
LGA    L    13_B      L    13_B     1.178     0    0.030   0.219     2.048   81.429   78.274
LGA    V    14_B      V    14_B     0.798     0    0.080   1.150     2.853   90.476   83.197
LGA    Q    15_B      Q    15_B     0.594     0    0.000   0.237     0.962   90.476   93.651
LGA    A    16_B      A    16_B     0.455     0    0.030   0.036     0.483  100.000  100.000
LGA    G    17_B      G    17_B     0.627     0    0.056   0.056     0.712   90.476   90.476
LGA    G    18_B      G    18_B     0.629     0    0.136   0.136     1.308   88.214   88.214
LGA    S    19_B      S    19_B     0.751     0    0.013   0.728     1.661   95.238   90.714
LGA    L    20_B      L    20_B     0.310     0    0.091   1.055     2.158   90.595   85.298
LGA    G    21_B      G    21_B     0.732     0    0.116   0.116     0.732   90.476   90.476
LGA    L    22_B      L    22_B     0.284     0    0.043   0.091     0.500  100.000  100.000
LGA    S    23_B      S    23_B     0.341     0    0.110   0.461     1.692  100.000   95.476
LGA    C    24_B      C    24_B     0.514     0    0.069   0.088     0.658   90.476   92.063
LGA    A    25_B      A    25_B     0.376     0    0.042   0.040     0.481  100.000  100.000
LGA    A    26_B      A    26_B     0.223     0    0.036   0.043     0.234  100.000  100.000
LGA    S    27_B      S    27_B     0.276     0    0.136   0.220     2.373   88.810   83.571
LGA    G    28_B      G    28_B     1.296     0    0.052   0.052     1.969   81.786   81.786
LGA    R    29_B      R    29_B     3.786     0    0.502   1.170    12.786   50.238   21.948
LGA    T    30_B      T    30_B     1.292     0    0.086   0.131     3.304   83.690   73.537
LGA    F    31_B      F    31_B     1.621     0    0.031   0.269     2.758   77.143   67.186
LGA    S    32_B      S    32_B     1.307     0    0.038   0.113     1.567   81.429   80.000
LGA    N    33_B      N    33_B     1.140     0    0.076   1.122     3.775   83.690   78.929
LGA    Y    34_B      Y    34_B     0.416     0    0.098   0.173     0.653   95.238   96.825
LGA    V    35_B      V    35_B     0.540     0    0.037   0.945     2.608   90.476   83.197
LGA    M    36_B      M    36_B     0.857     0    0.052   1.256     3.949   90.476   81.190
LGA    A    37_B      A    37_B     0.801     0    0.029   0.031     0.908   90.476   90.476
LGA    W    38_B      W    38_B     0.565     0    0.000   0.198     1.201   95.238   92.585
LGA    F    39_B      F    39_B     0.486     0    0.024   0.091     0.950   97.619   93.074
LGA    R    40_B      R    40_B     0.547     0    0.066   0.463     1.492   92.857   87.229
LGA    Q    41_B      Q    41_B     0.743     0    0.054   0.210     1.251   90.476   88.466
LGA    A    42_B      A    42_B     0.871     0    0.044   0.039     0.981   90.476   90.476
LGA    P    43_B      P    43_B     1.201     0    0.108   0.367     1.773   83.690   82.789
LGA    G    44_B      G    44_B     1.900     0    0.042   0.042     1.900   72.857   72.857
LGA    K    45_B      K    45_B     1.612     0    0.061   0.895     4.625   77.143   64.444
LGA    E    46_B      E    46_B     0.956     0    0.048   0.825     3.347   85.952   74.444
LGA    R    47_B      R    47_B     0.839     0    0.059   0.383     2.001   88.214   83.247
LGA    E    48_B      E    48_B     0.486     0    0.021   0.627     1.812   97.619   92.804
LGA    F    49_B      F    49_B     0.490     0    0.052   0.168     1.203   97.619   91.429
LGA    V    50_B      V    50_B     0.361     0    0.027   0.038     0.606   97.619   98.639
LGA    A    51_B      A    51_B     0.645     0    0.053   0.056     0.736   92.857   92.381
LGA    R    52_B      R    52_B     0.584     0    0.049   1.186     6.462   90.476   72.944
LGA    I    53_B      I    53_B     0.675     0    0.074   0.252     0.968   92.857   91.667
LGA    S    54_B      S    54_B     0.468     0    0.099   0.435     2.376   88.452   84.841
LGA    E    55_B      E    55_B     1.837     0    0.191   1.382     8.479   71.071   44.339
LGA    S    56_B      S    56_B     0.754     0    0.508   0.826     4.384   70.714   62.857
LGA    R    57_B      R    57_B     1.630     0    0.726   1.399     7.953   57.262   52.771
LGA    G    58_B      G    58_B     1.580     0    0.093   0.093     2.462   72.976   72.976
LGA    T    59_B      T    59_B     0.500     0    0.069   0.915     2.532   95.238   84.762
LGA    T    60_B      T    60_B     0.282     0    0.040   0.224     0.597  100.000   95.918
LGA    D    61_B      D    61_B     0.224     0    0.033   0.803     3.905   97.619   81.726
LGA    Y    62_B      Y    62_B     0.521     0    0.039   0.106     0.704   92.857   93.651
LGA    A    63_B      A    63_B     0.894     0    0.011   0.015     1.049   85.952   85.048
LGA    D    64_B      D    64_B     1.260     0    0.054   0.115     1.481   81.429   81.429
LGA    S    65_B      S    65_B     1.440     0    0.076   0.156     1.600   79.286   78.571
LGA    V    66_B      V    66_B     1.354     0    0.057   0.198     1.768   81.429   78.980
LGA    K    67_B      K    67_B     0.918     0    0.647   1.095     4.797   81.786   67.778
LGA    G    68_B      G    68_B     2.799     0    0.187   0.187     3.111   57.262   57.262
LGA    R    69_B      R    69_B     1.471     0    0.084   1.531     6.502   79.286   62.294
LGA    F    70_B      F    70_B     0.820     0    0.057   0.374     2.232   90.476   86.710
LGA    T    71_B      T    71_B     0.536     0    0.047   0.108     0.708   92.857   91.837
LGA    I    72_B      I    72_B     0.322     0    0.046   1.079     2.383  100.000   86.786
LGA    S    73_B      S    73_B     0.239     0    0.042   0.085     0.401  100.000  100.000
LGA    R    74_B      R    74_B     0.267     0    0.026   1.454     6.566  100.000   73.550
LGA    D    75_B      D    75_B     0.323     0    0.033   0.696     1.824  100.000   93.095
LGA    N    76_B      N    76_B     0.355     0    0.149   0.247     1.256   92.976   89.464
LGA    A    77_B      A    77_B     0.407     0    0.083   0.094     0.763   97.619   98.095
LGA    K    78_B      K    78_B     0.554     0    0.080   0.184     0.932   92.857   92.593
LGA    N    79_B      N    79_B     0.355     0    0.016   0.361     1.286  100.000   92.976
LGA    T    80_B      T    80_B     0.257     0    0.095   1.268     2.879  100.000   88.844
LGA    I    81_B      I    81_B     0.475     0    0.000   0.335     1.426  100.000   96.488
LGA    Y    82_B      Y    82_B     0.490     0    0.039   0.108     0.509  100.000   98.413
LGA    L    83_B      L    83_B     0.613     0    0.019   0.245     0.851   90.476   90.476
LGA    Q    84_B      Q    84_B     0.640     0    0.035   0.089     1.134   95.238   91.587
LGA    M    85_B      M    85_B     0.538     0    0.090   0.640     1.579   95.238   91.905
LGA    N    86_B      N    86_B     0.461     0    0.025   0.332     0.725   97.619   97.619
LGA    S    87_B      S    87_B     0.526     0    0.012   0.141     1.025   95.238   92.143
LGA    L    88_B      L    88_B     0.241     0    0.061   0.083     0.394  100.000  100.000
LGA    N    89_B      N    89_B     0.597     0    0.029   1.144     4.535   92.857   77.857
LGA    P    90_B      P    90_B     1.179     0    0.730   0.694     2.922   75.357   75.510
LGA    G    91_B      G    91_B     1.932     0    0.085   0.085     2.178   75.119   75.119
LGA    D    92_B      D    92_B     0.939     0    0.051   0.234     1.247   88.214   88.214
LGA    T    93_B      T    93_B     0.989     0    0.058   0.116     1.124   90.476   87.891
LGA    A    94_B      A    94_B     0.874     0    0.047   0.073     0.981   90.476   90.476
LGA    V    95_B      V    95_B     0.434     0    0.049   0.123     0.733   95.238   97.279
LGA    Y    96_B      Y    96_B     0.256     0    0.068   0.093     0.538  100.000   99.206
LGA    S    97_B      S    97_B     0.273     0    0.032   0.689     1.876  100.000   95.476
LGA    C    98_B      C    98_B     0.340     0    0.024   0.117     0.528  100.000   98.413
LGA    A    99_B      A    99_B     0.385     0    0.042   0.059     0.658  100.000   98.095
LGA    A   100_B      A   100_B     0.349     0    0.031   0.035     0.349  100.000  100.000
LGA    T   101_B      T   101_B     0.235     0    0.065   0.141     0.485  100.000  100.000
LGA    L   102_B      L   102_B     0.636     0    0.060   0.234     2.056   95.238   86.310
LGA    P   103_B      P   103_B     0.874     0    0.051   0.080     1.308   85.952   84.014
LGA    A   104_B      A   104_B     1.592     0    0.030   0.037     1.936   77.143   76.286
LGA    W   105_B      W   105_B     1.364     0    0.229   0.571     2.310   81.429   73.571
LGA    T   106_B      T   106_B     1.490     0    0.287   0.303     1.818   75.000   76.531
LGA    G   107_B      G   107_B     2.447     0    0.518   0.518     2.447   68.810   68.810
LGA    I   108_B      I   108_B     4.151     0    0.031   0.688    10.050   48.810   27.143
LGA    I   109_B      I   109_B     5.682     0    0.389   1.204     9.200   16.071   21.190
LGA    G   110_B      G   110_B     9.033     0    0.627   0.627     9.033    4.762    4.762
LGA    G   111_B      G   111_B     7.402     0    0.534   0.534     7.516   15.000   15.000
LGA    R   112_B      R   112_B     3.740     0    0.596   0.940     9.364   30.833   35.368
LGA    R   113_B      R   113_B     5.552     0    0.157   1.277     8.880   27.619   14.675
LGA    P   114_B      P   114_B     5.213     0    0.044   0.355     6.427   27.500   23.061
LGA    G   115_B      G   115_B     6.155     0    0.562   0.562     6.155   31.310   31.310
LGA    N   116_B      N   116_B     1.059     0    0.611   0.713     7.350   79.881   53.988
LGA    Y   117_B      Y   117_B     0.681     0    0.115   0.345     1.251   90.476   88.214
LGA    P   118_B      P   118_B     0.886     0    0.038   0.083     1.156   90.476   90.544
LGA    Y   119_B      Y   119_B     0.273     0    0.027   0.208     1.542  100.000   90.000
LGA    W   120_B      W   120_B     0.166     0    0.060   0.217     0.984  100.000   97.959
LGA    G   121_B      G   121_B     0.522     0    0.021   0.021     0.635   92.857   92.857
LGA    Q   122_B      Q   122_B     0.908     0    0.008   0.818     2.572   88.214   78.889
LGA    G   123_B      G   123_B     0.905     0    0.119   0.119     1.486   88.214   88.214
LGA    T   124_B      T   124_B     0.478     0    0.038   0.980     2.595  100.000   89.864
LGA    Q   125_B      Q   125_B     0.415     0    0.041   0.312     0.897   95.238   96.825
LGA    V   126_B      V   126_B     0.679     0    0.043   0.175     1.023   90.476   90.544
LGA    T   127_B      T   127_B     0.901     0    0.069   0.148     1.320   90.476   89.184
LGA    V   128_B      V   128_B     0.898     0    0.057   0.070     0.996   90.476   90.476
LGA    S   129_B      S   129_B     1.044     0    0.179   0.277     1.940   79.405   80.159

# 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):     1.777          1.781                  2.322           85.634   81.151

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    122    1.38    91.400    95.105     8.268

LGA_LOCAL      RMSD:   1.376  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.800  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.777  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.597508 * X  +   0.463120 * Y  +  -0.654602 * Z  + 130.045197
  Y_new =  -0.029136 * X  +  -0.828352 * Y  +  -0.559450 * Z  +   7.203989
  Z_new =  -0.801333 * X  +  -0.315203 * Y  +   0.508441 * Z  +   5.417978 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.092869  0.929521 -0.554953   [DEG: -177.2083   53.2576  -31.7965 ]
ZXZ: -0.863614  1.037423 -1.945556   [DEG:  -49.4814   59.4400 -111.4721 ]
 
# END of job
