
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , 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:   124       1_B - 124_B       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       1_B - 97_B        1.00     1.80
  LCS_AVERAGE:     64.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     1_B     Q     1_B     97  124  124     34   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     97  124  124     51   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     97  124  124     68   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     97  124  124     68   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     97  124  124     51   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     97  124  124      4   14   61  104  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     97  124  124      4    6   18   59  109  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     97  124  124      4   31   79  105  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     97  124  124      5   74  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     97  124  124      4   58   99  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     97  124  124      4   43  100  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     97  124  124     33   92  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     97  124  124     46   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     97  124  124     39   94  103  106  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     97  124  124     56   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     97  124  124     34   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     97  124  124     34   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     97  124  124      3   12   69   99  110  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     97  124  124      3    3    4    5   71  113  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     97  124  124      3    3   16   25  109  114  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     97  124  124     13   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     97  124  124     66   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     97  124  124     72   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     97  124  124     68   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     97  124  124     18   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     97  124  124     68   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     97  124  124     72   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     97  124  124     72   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     97  124  124     70   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     97  124  124     61   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     97  124  124     66   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     97  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     97  124  124     71   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     97  124  124     70   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     97  124  124     41   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     67  124  124      3   28   94  104  109  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  124  124      3    4    5    6    6    6    7   12  110  118  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    4    5   23   54  105  115  119  120  121  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3   18   87  109  113  115  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5  124  124      4    4    5   29   48  105  115  119  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      5  124  124      4    4   19   56  111  114  117  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      5  124  124      4    4   18   29   38   59   96  119  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      5  124  124      4    4   64  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     19  124  124      9   34   78  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     19  124  124      9   42   98  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     19  124  124      7   85  100  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     19  124  124     10   40   98  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     19  124  124      5   42   98  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     19  124  124     46   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     19  124  124     70   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     19  124  124     46   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     19  124  124     73   96  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     19  124  124      4   74  103  109  113  116  118  120  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  88.06  (  64.18  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     73     96    103    109    113    116    118    120    120    122    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  58.87  77.42  83.06  87.90  91.13  93.55  95.16  96.77  96.77  98.39 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.46   0.58   0.83   0.96   1.05   1.14   1.25   1.25   1.49   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67
GDT RMS_ALL_AT   1.78   1.76   1.77   1.69   1.69   1.71   1.71   1.70   1.70   1.68   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    77_B      Y    77_B
#   possible swapping detected:  D   108_B      D   108_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.255     0    0.543   1.059     7.147   77.143   49.735
LGA    V     2_B      V     2_B     0.828     0    0.029   0.939     2.730   90.476   83.197
LGA    Q     3_B      Q     3_B     0.295     0    0.029   1.371     6.188  100.000   72.646
LGA    L     4_B      L     4_B     0.152     0    0.029   0.061     0.338  100.000  100.000
LGA    V     5_B      V     5_B     0.300     0    0.050   0.114     0.881  100.000   95.918
LGA    E     6_B      E     6_B     0.456     0    0.047   0.843     2.489   97.619   88.889
LGA    S     7_B      S     7_B     0.479     0    0.049   0.057     0.574  100.000   96.825
LGA    G     8_B      G     8_B     0.449     0    0.075   0.075     0.577   97.619   97.619
LGA    G     9_B      G     9_B     0.413     0    0.126   0.126     1.127   95.357   95.357
LGA    G    10_B      G    10_B     0.417     0    0.012   0.012     0.531   97.619   97.619
LGA    S    11_B      S    11_B     0.350     0    0.038   0.082     0.603   97.619   98.413
LGA    V    12_B      V    12_B     0.413     0    0.131   1.037     2.311   95.357   85.918
LGA    Q    13_B      Q    13_B     0.132     0    0.039   0.864     2.898  100.000   86.402
LGA    A    14_B      A    14_B     0.253     0    0.023   0.038     0.343  100.000  100.000
LGA    G    15_B      G    15_B     0.418     0    0.044   0.044     0.426  100.000  100.000
LGA    G    16_B      G    16_B     0.466     0    0.015   0.015     0.484  100.000  100.000
LGA    S    17_B      S    17_B     0.318     0    0.061   0.665     2.476  100.000   94.127
LGA    L    18_B      L    18_B     0.534     0    0.032   0.645     2.336   95.238   87.440
LGA    R    19_B      R    19_B     0.367     0    0.020   1.298     6.358  100.000   80.216
LGA    L    20_B      L    20_B     0.250     0    0.020   0.119     0.502  100.000   98.810
LGA    S    21_B      S    21_B     0.348     0    0.087   0.660     1.699   97.619   92.302
LGA    C    22_B      C    22_B     0.459     0    0.031   0.096     0.795   95.238   93.651
LGA    A    23_B      A    23_B     0.676     0    0.050   0.078     0.743   92.857   92.381
LGA    A    24_B      A    24_B     0.648     0    0.013   0.024     0.820   90.476   90.476
LGA    S    25_B      S    25_B     0.591     0    0.073   0.599     2.227   95.238   89.365
LGA    G    26_B      G    26_B     0.803     0    0.558   0.558     1.535   86.071   86.071
LGA    S    27_B      S    27_B     2.452     0    0.147   0.254     3.569   62.857   58.651
LGA    T    28_B      T    28_B     3.352     0    0.105   1.030     5.958   53.571   48.231
LGA    V    29_B      V    29_B     2.164     0    0.169   1.135     5.137   69.048   62.993
LGA    S    30_B      S    30_B     1.694     0    0.021   0.076     2.459   72.976   71.587
LGA    A    31_B      A    31_B     2.309     0    0.026   0.026     3.392   63.333   62.095
LGA    Y    32_B      Y    32_B     2.013     0    0.045   0.375     6.593   77.381   49.683
LGA    Y    33_B      Y    33_B     1.177     0    0.122   0.738     4.543   81.548   63.770
LGA    M    34_B      M    34_B     0.209     0    0.069   0.859     2.524  100.000   87.857
LGA    A    35_B      A    35_B     0.341     0    0.059   0.056     0.414  100.000  100.000
LGA    W    36_B      W    36_B     0.440     0    0.073   0.160     0.566   97.619   97.959
LGA    F    37_B      F    37_B     0.466     0    0.048   0.101     1.141   97.619   92.294
LGA    R    38_B      R    38_B     0.474     0    0.072   0.536     1.625   97.619   89.827
LGA    Q    39_B      Q    39_B     0.449     0    0.041   0.990     3.668  100.000   79.206
LGA    A    40_B      A    40_B     0.433     0    0.058   0.055     0.564   95.238   94.286
LGA    P    41_B      P    41_B     0.767     0    0.014   0.333     1.630   90.476   87.959
LGA    G    42_B      G    42_B     1.278     0    0.145   0.145     1.847   79.286   79.286
LGA    K    43_B      K    43_B     0.665     0    0.655   0.957     3.124   86.429   75.767
LGA    G    44_B      G    44_B     1.978     0    0.276   0.276     3.092   65.119   65.119
LGA    R    45_B      R    45_B     0.815     0    0.022   0.326     3.250   85.952   76.450
LGA    E    46_B      E    46_B     1.065     0    0.029   0.211     1.469   88.214   84.444
LGA    G    47_B      G    47_B     1.090     0    0.045   0.045     1.090   83.690   83.690
LGA    V    48_B      V    48_B     0.456     0    0.023   0.056     0.736   97.619   98.639
LGA    A    49_B      A    49_B     0.436     0    0.054   0.050     0.463  100.000  100.000
LGA    V    50_B      V    50_B     0.262     0    0.030   1.037     2.365  100.000   89.932
LGA    I    51_B      I    51_B     0.409     0    0.040   1.011     2.788   86.548   77.798
LGA    G    52_B      G    52_B     2.724     0    0.285   0.285     4.754   51.190   51.190
LGA    G    53_B      G    53_B     4.110     0    0.573   0.573     4.110   48.571   48.571
LGA    S    54_B      S    54_B     3.550     0    0.608   0.593     5.569   37.976   34.921
LGA    G    55_B      G    55_B     0.839     0    0.015   0.015     1.143   85.952   85.952
LGA    V    56_B      V    56_B     0.548     0    0.024   0.081     1.245   95.238   91.905
LGA    Y    57_B      Y    57_B     0.275     0    0.046   0.154     0.611   97.619   98.413
LGA    A    58_B      A    58_B     0.532     0    0.028   0.026     0.699   92.857   92.381
LGA    D    59_B      D    59_B     1.205     0    0.449   0.414     3.618   72.024   76.786
LGA    A    60_B      A    60_B     0.716     0    0.048   0.043     0.883   90.476   90.476
LGA    V    61_B      V    61_B     0.583     0    0.048   0.119     0.780   90.476   90.476
LGA    K    62_B      K    62_B     0.577     0    0.009   0.617     2.289   90.476   85.608
LGA    G    63_B      G    63_B     0.892     0    0.014   0.014     1.045   88.214   88.214
LGA    R    64_B      R    64_B     0.692     0    0.010   0.255     1.233   90.476   89.654
LGA    F    65_B      F    65_B     0.471     0    0.010   0.057     0.716   97.619   95.671
LGA    T    66_B      T    66_B     0.454     0    0.035   0.113     0.685  100.000   97.279
LGA    I    67_B      I    67_B     0.458     0    0.026   0.082     0.632  100.000   98.810
LGA    S    68_B      S    68_B     0.544     0    0.011   0.103     0.586   92.857   93.651
LGA    Q    69_B      Q    69_B     0.652     0    0.086   0.568     2.374   90.476   86.614
LGA    D    70_B      D    70_B     0.306     0    0.080   0.080     0.688  100.000   97.619
LGA    N    71_B      N    71_B     0.517     0    0.015   1.093     2.727   95.238   86.488
LGA    A    72_B      A    72_B     0.670     0    0.044   0.046     0.968   90.476   90.476
LGA    K    73_B      K    73_B     0.843     0    0.102   1.047     3.193   90.476   82.011
LGA    N    74_B      N    74_B     0.751     0    0.040   0.718     1.921   90.476   88.274
LGA    T    75_B      T    75_B     0.498     0    0.072   0.068     0.598   95.238   97.279
LGA    L    76_B      L    76_B     0.457     0    0.067   0.757     2.724   95.238   87.619
LGA    Y    77_B      Y    77_B     0.268     0    0.021   0.166     0.415  100.000  100.000
LGA    L    78_B      L    78_B     0.267     0    0.017   0.061     0.370  100.000  100.000
LGA    Q    79_B      Q    79_B     0.419     0    0.021   0.243     1.064  100.000   95.820
LGA    M    80_B      M    80_B     0.533     0    0.047   0.116     0.833   95.238   92.857
LGA    N    81_B      N    81_B     0.336     0    0.041   0.923     2.226   97.619   91.012
LGA    S    82_B      S    82_B     0.240     0    0.025   0.029     0.383  100.000  100.000
LGA    L    83_B      L    83_B     0.359     0    0.063   0.057     0.421  100.000  100.000
LGA    K    84_B      K    84_B     0.322     0    0.026   0.698     1.806  100.000   89.735
LGA    P    85_B      P    85_B     0.602     0    0.042   0.034     0.799   92.857   93.197
LGA    E    86_B      E    86_B     0.723     0    0.014   1.025     3.328   90.476   82.063
LGA    D    87_B      D    87_B     0.563     0    0.027   0.053     0.592   90.476   95.238
LGA    T    88_B      T    88_B     0.631     0    0.028   0.098     0.876   90.476   90.476
LGA    A    89_B      A    89_B     0.684     0    0.031   0.034     0.707   92.857   92.381
LGA    M    90_B      M    90_B     0.408     0    0.036   0.263     1.380   97.619   94.167
LGA    Y    91_B      Y    91_B     0.254     0    0.025   0.104     0.646  100.000   99.206
LGA    Y    92_B      Y    92_B     0.385     0    0.021   0.057     1.097  100.000   92.897
LGA    C    93_B      C    93_B     0.398     0    0.070   0.697     2.607  100.000   92.857
LGA    A    94_B      A    94_B     0.542     0    0.036   0.034     0.645   92.857   92.381
LGA    A    95_B      A    95_B     0.593     0    0.076   0.113     0.698   90.476   90.476
LGA    Y    96_B      Y    96_B     0.631     0    0.067   0.534     1.610   90.476   83.056
LGA    W    97_B      W    97_B     1.426     0    0.604   0.644     2.808   73.214   74.252
LGA    K    98_B      K    98_B     3.147     0    0.165   0.178    15.497   55.357   27.778
LGA    G    99_B      G    99_B     6.238     0    0.361   0.361     8.564   18.571   18.571
LGA    Y   100_B      Y   100_B     6.637     0    0.053   1.358     7.826   16.667   12.976
LGA    K   101_B      K   101_B     3.315     0    0.221   0.646     6.838   37.500   35.661
LGA    Y   102_B      Y   102_B     6.781     0    0.492   1.182    17.166   15.952    5.437
LGA    H   103_B      H   103_B     4.096     0    0.236   0.931     9.893   42.143   25.810
LGA    P   104_B      P   104_B     6.567     0    0.331   0.493    10.101   18.571   11.497
LGA    K   105_B      K   105_B     2.769     0    0.546   0.719     8.475   50.357   38.254
LGA    F   106_B      F   106_B     2.581     0    0.133   1.228     4.759   59.048   56.667
LGA    D   107_B      D   107_B     2.410     0    0.096   0.234     2.534   68.810   65.833
LGA    D   108_B      D   108_B     1.644     0    0.007   0.941     2.360   75.000   72.976
LGA    S   109_B      S   109_B     2.624     0    0.051   0.051     3.358   60.952   57.302
LGA    A   110_B      A   110_B     2.450     0    0.073   0.072     2.781   66.786   64.857
LGA    Y   111_B      Y   111_B     0.828     0    0.119   0.154     1.140   88.214   88.968
LGA    E   112_B      E   112_B     0.515     0    0.007   0.458     2.115   95.238   90.794
LGA    Y   113_B      Y   113_B     0.397     0    0.033   0.105     1.079  100.000   92.897
LGA    W   114_B      W   114_B     0.152     0    0.037   0.081     0.470  100.000  100.000
LGA    G   115_B      G   115_B     0.334     0    0.071   0.071     0.715   95.238   95.238
LGA    Q   116_B      Q   116_B     1.176     0    0.627   1.302     4.235   72.024   66.825
LGA    G   117_B      G   117_B     0.464     0    0.071   0.071     1.005   92.976   92.976
LGA    T   118_B      T   118_B     0.317     0    0.065   0.240     1.289   97.619   94.626
LGA    Q   119_B      Q   119_B     0.413     0    0.020   0.903     3.722   95.238   82.116
LGA    V   120_B      V   120_B     0.470     0    0.022   0.045     0.541  100.000   98.639
LGA    T   121_B      T   121_B     0.457     0    0.042   0.126     0.653  100.000   97.279
LGA    V   122_B      V   122_B     0.499     0    0.096   0.103     0.694   92.857   93.197
LGA    S   123_B      S   123_B     0.544     0    0.115   0.781     2.296   92.857   89.365
LGA    S   124_B      S   124_B     1.653     0    0.509   0.542     2.913   71.071   71.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     1.673          1.701                  2.534           86.105   81.835

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    120    1.25    90.524    94.454     8.901

LGA_LOCAL      RMSD:   1.248  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.702  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.673  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.143282 * X  +  -0.104272 * Y  +  -0.984174 * Z  +  14.857889
  Y_new =  -0.989496 * X  +  -0.034364 * Y  +  -0.140416 * Z  + -30.139456
  Z_new =  -0.019178 * X  +   0.993955 * Y  +  -0.108101 * Z  +   8.636921 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.426993  0.019180  1.679129   [DEG:  -81.7607    1.0989   96.2070 ]
ZXZ: -1.429079  1.679109 -0.019293   [DEG:  -81.8802   96.2058   -1.1054 ]
 
# END of job
