
#######################################################
#                                                     #
#                        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       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       5_B - 102_B       0.94     1.53
  LCS_AVERAGE:     64.17

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     44   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     98  125  125     23   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     98  125  125     50   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     98  125  125      4   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     98  125  125     49   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     98  125  125     34   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     98  125  125     31   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     98  125  125     13   76  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     98  125  125      3   23   81  114  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     98  125  125     44   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     98  125  125     50   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     98  125  125      3   31  103  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     98  125  125      8   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     98  125  125      6   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     98  125  125     52   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     98  125  125     47   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     98  125  125     42   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     98  125  125     45   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     98  125  125     37   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     98  125  125     34   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     98  125  125     47   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     98  125  125     39   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     98  125  125     39   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     98  125  125     45   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     98  125  125     43   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     98  125  125      3   55  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     98  125  125      3   66  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     98  125  125      8   67  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     98  125  125     16   84  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     98  125  125     17   89  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     98  125  125     16   95  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     98  125  125     29   96  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     98  125  125     34   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     98  125  125      8   93  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     98  125  125     39   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     98  125  125     26   81  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     98  125  125     36   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     98  125  125     54   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     98  125  125     52   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     98  125  125     51   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     98  125  125      7   86  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     98  125  125      7   29  110  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     98  125  125      6   56  110  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     98  125  125     44   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     98  125  125     30   94  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     98  125  125     39   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     98  125  125     52   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     98  125  125     26   96  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     98  125  125     52   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     98  125  125     31   88  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     98  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     98  125  125     49   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     98  125  125      3   14   86  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B      5  125  125      3    4    8   12   42   99  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      3  125  125     15   80  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      3  125  125     17   72  108  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      3  125  125      3    3    4    5    5   13   45  105  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      3  125  125      3   15   54   99  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    7   16   43   74  106  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    3    3    7   64  106  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     48   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     53   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     17   96  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     29   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     54   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     30   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     55   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     52   97  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     37   96  111  118  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.06  (  64.17  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     55     97    111    118    120    121    123    124    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  44.00  77.60  88.80  94.40  96.00  96.80  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.58   0.74   0.86   0.92   1.00   1.23   1.36   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46
GDT RMS_ALL_AT   1.63   1.59   1.55   1.54   1.53   1.51   1.48   1.47   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46

# Checking swapping
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    61_B      D    61_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    64_B      D    64_B
#   possible swapping detected:  Y    82_B      Y    82_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     0.516     0    0.666   0.889     9.426   86.905   49.471
LGA    L     6_B      L     6_B     0.797     0    0.046   0.853     2.239   88.214   82.917
LGA    V     7_B      V     7_B     0.748     0    0.119   0.873     2.273   90.476   84.286
LGA    E     8_B      E     8_B     1.011     0    0.037   0.408     1.108   83.690   84.444
LGA    S     9_B      S     9_B     0.708     0    0.055   0.504     1.955   95.238   90.714
LGA    G    10_B      G    10_B     0.501     0    0.673   0.673     3.089   82.738   82.738
LGA    G    11_B      G    11_B     1.150     0    0.136   0.136     1.425   85.952   85.952
LGA    G    12_B      G    12_B     0.900     0    0.026   0.026     1.057   88.214   88.214
LGA    L    13_B      L    13_B     0.995     0    0.131   0.987     5.114   83.810   68.988
LGA    V    14_B      V    14_B     0.742     0    0.037   0.068     0.813   90.476   91.837
LGA    Q    15_B      Q    15_B     0.830     0    0.064   0.563     2.803   90.476   77.354
LGA    A    16_B      A    16_B     0.836     0    0.064   0.069     1.113   88.214   88.667
LGA    G    17_B      G    17_B     0.666     0    0.079   0.079     0.789   90.476   90.476
LGA    G    18_B      G    18_B     0.364     0    0.101   0.101     0.534   97.619   97.619
LGA    S    19_B      S    19_B     0.512     0    0.038   0.071     0.674   92.857   92.063
LGA    L    20_B      L    20_B     0.343     0    0.030   1.111     2.427  100.000   87.679
LGA    G    21_B      G    21_B     0.484     0    0.083   0.083     0.484  100.000  100.000
LGA    L    22_B      L    22_B     0.251     0    0.054   0.100     0.357  100.000  100.000
LGA    S    23_B      S    23_B     0.159     0    0.034   0.753     1.939   97.619   93.889
LGA    C    24_B      C    24_B     0.489     0    0.037   0.090     0.583   95.238   95.238
LGA    A    25_B      A    25_B     0.629     0    0.061   0.089     0.683   92.857   92.381
LGA    A    26_B      A    26_B     1.076     0    0.045   0.043     1.228   81.429   81.429
LGA    S    27_B      S    27_B     1.323     0    0.102   0.203     2.227   79.524   74.603
LGA    G    28_B      G    28_B     1.251     0    0.529   0.529     3.701   72.381   72.381
LGA    R    29_B      R    29_B     2.723     0    0.469   1.035    12.193   66.905   28.918
LGA    T    30_B      T    30_B     0.470     0    0.107   0.867     2.795   90.595   80.748
LGA    F    31_B      F    31_B     1.243     0    0.175   1.366     5.727   81.548   58.571
LGA    S    32_B      S    32_B     1.890     0    0.121   0.115     2.865   77.143   70.476
LGA    N    33_B      N    33_B     1.307     0    0.289   1.152     3.790   83.690   72.560
LGA    Y    34_B      Y    34_B     1.493     0    0.174   1.234     9.129   77.143   49.127
LGA    V    35_B      V    35_B     0.573     0    0.052   0.945     2.263   90.476   84.286
LGA    M    36_B      M    36_B     0.647     0    0.031   1.285     4.621   92.857   79.226
LGA    A    37_B      A    37_B     0.466     0    0.031   0.037     0.669   97.619   96.190
LGA    W    38_B      W    38_B     0.367     0    0.042   0.068     0.537   95.238   98.639
LGA    F    39_B      F    39_B     0.645     0    0.041   0.079     0.951   90.476   90.476
LGA    R    40_B      R    40_B     0.359     0    0.020   0.132     1.090   95.238   91.429
LGA    Q    41_B      Q    41_B     0.502     0    0.046   1.128     2.512   97.619   83.228
LGA    A    42_B      A    42_B     0.307     0    0.079   0.088     0.427  100.000  100.000
LGA    P    43_B      P    43_B     0.748     0    0.132   0.205     1.307   88.214   89.184
LGA    G    44_B      G    44_B     0.867     0    0.106   0.106     0.867   90.476   90.476
LGA    K    45_B      K    45_B     0.409     0    0.082   0.888     2.996   95.238   86.243
LGA    E    46_B      E    46_B     1.063     0    0.058   1.105     3.472   88.214   77.249
LGA    R    47_B      R    47_B     1.055     0    0.093   0.767     3.407   83.690   68.355
LGA    E    48_B      E    48_B     1.086     0    0.041   0.486     2.050   88.214   79.735
LGA    F    49_B      F    49_B     0.475     0    0.075   0.167     1.351   90.595   93.983
LGA    V    50_B      V    50_B     0.731     0    0.076   0.139     1.405   90.476   86.599
LGA    A    51_B      A    51_B     0.803     0    0.013   0.036     0.900   90.476   90.476
LGA    R    52_B      R    52_B     0.683     0    0.072   1.214     3.623   95.238   74.416
LGA    I    53_B      I    53_B     0.343     0    0.030   0.632     1.602   97.619   91.845
LGA    S    54_B      S    54_B     0.623     0    0.194   0.685     2.095   88.452   84.841
LGA    E    55_B      E    55_B     1.956     0    0.176   1.516     8.557   71.071   43.386
LGA    S    56_B      S    56_B     1.650     0    0.164   0.667     3.638   79.286   72.222
LGA    R    57_B      R    57_B     1.413     0    0.227   1.338     7.053   72.976   61.385
LGA    G    58_B      G    58_B     1.384     0    0.117   0.117     1.516   79.286   79.286
LGA    T    59_B      T    59_B     1.562     0    0.032   0.854     3.467   81.548   73.401
LGA    T    60_B      T    60_B     0.952     0    0.038   1.248     3.357   81.548   77.007
LGA    D    61_B      D    61_B     1.467     0    0.019   0.815     3.914   85.952   72.738
LGA    Y    62_B      Y    62_B     1.170     0    0.019   0.568     4.821   81.429   68.095
LGA    A    63_B      A    63_B     1.190     0    0.040   0.043     1.190   85.952   85.048
LGA    D    64_B      D    64_B     0.896     0    0.065   0.999     2.792   90.595   79.940
LGA    S    65_B      S    65_B     1.134     0    0.118   0.130     1.494   83.690   84.444
LGA    V    66_B      V    66_B     0.830     0    0.058   0.208     1.432   85.952   87.891
LGA    K    67_B      K    67_B     0.811     0    0.039   0.988     3.461   90.476   77.566
LGA    G    68_B      G    68_B     1.012     0    0.048   0.048     1.012   88.214   88.214
LGA    R    69_B      R    69_B     0.726     0    0.039   1.308     3.148   92.857   76.104
LGA    F    70_B      F    70_B     0.366     0    0.012   0.474     1.431   97.619   93.160
LGA    T    71_B      T    71_B     0.580     0    0.150   1.181     3.052   92.857   83.537
LGA    I    72_B      I    72_B     0.528     0    0.028   1.134     3.321   90.476   78.988
LGA    S    73_B      S    73_B     0.764     0    0.077   0.106     1.012   90.476   88.968
LGA    R    74_B      R    74_B     1.493     0    0.047   1.150     7.056   75.119   56.061
LGA    D    75_B      D    75_B     1.901     0    0.043   0.836     3.368   75.000   72.143
LGA    N    76_B      N    76_B     2.103     0    0.197   1.040     3.829   68.810   61.250
LGA    A    77_B      A    77_B     0.817     0    0.009   0.028     1.282   88.214   88.667
LGA    K    78_B      K    78_B     1.178     0    0.109   0.829     3.435   88.214   78.095
LGA    N    79_B      N    79_B     1.041     0    0.055   0.520     2.006   83.690   79.405
LGA    T    80_B      T    80_B     0.686     0    0.037   0.366     1.266   90.476   90.544
LGA    I    81_B      I    81_B     0.607     0    0.038   1.172     3.084   92.857   78.274
LGA    Y    82_B      Y    82_B     0.428     0    0.029   0.114     0.955   97.619   92.857
LGA    L    83_B      L    83_B     0.521     0    0.046   0.123     1.074   97.619   92.917
LGA    Q    84_B      Q    84_B     0.519     0    0.039   0.169     1.281   95.238   91.587
LGA    M    85_B      M    85_B     0.177     0    0.094   0.727     1.846  100.000   94.286
LGA    N    86_B      N    86_B     0.313     0    0.045   0.588     2.031   95.238   90.833
LGA    S    87_B      S    87_B     0.782     0    0.039   0.728     2.287   88.214   84.683
LGA    L    88_B      L    88_B     0.828     0    0.101   0.222     0.973   90.476   90.476
LGA    N    89_B      N    89_B     1.503     0    0.071   1.220     5.315   79.286   62.917
LGA    P    90_B      P    90_B     1.056     0    0.707   0.754     2.258   79.524   81.633
LGA    G    91_B      G    91_B     1.518     0    0.178   0.178     2.195   75.119   75.119
LGA    D    92_B      D    92_B     0.779     0    0.095   0.115     1.381   92.857   87.143
LGA    T    93_B      T    93_B     0.563     0    0.051   0.136     0.779   95.238   93.197
LGA    A    94_B      A    94_B     0.399     0    0.026   0.034     0.468  100.000  100.000
LGA    V    95_B      V    95_B     0.173     0    0.057   0.148     0.643   97.619   97.279
LGA    Y    96_B      Y    96_B     0.240     0    0.027   0.075     0.459  100.000  100.000
LGA    S    97_B      S    97_B     0.549     0    0.045   0.045     0.857   95.238   93.651
LGA    C    98_B      C    98_B     0.411     0    0.052   0.752     3.171  100.000   91.667
LGA    A    99_B      A    99_B     0.544     0    0.059   0.061     0.601   90.476   90.476
LGA    A   100_B      A   100_B     0.802     0    0.059   0.070     0.928   90.476   90.476
LGA    T   101_B      T   101_B     0.539     0    0.162   1.148     3.498   90.476   83.401
LGA    L   102_B      L   102_B     2.422     0    0.636   0.904     5.252   56.190   48.452
LGA    P   103_B      P   103_B     4.857     0    0.663   0.598     7.510   40.476   28.639
LGA    A   104_B      A   104_B     1.154     0    0.731   0.658     3.028   69.286   71.714
LGA    W   105_B      W   105_B     1.498     0    0.308   1.381     6.599   61.071   53.639
LGA    T   106_B      T   106_B     6.408     0    0.162   1.066    10.022   20.000   12.313
LGA    G   107_B      G   107_B     3.629     0    0.567   0.567     4.210   40.238   40.238
LGA    I   108_B      I   108_B     6.288     0    0.470   0.642     8.739   14.881   11.071
LGA    I   109_B      I   109_B     5.928     0    0.637   1.212     9.462   30.595   16.607
LGA    G   110_B      G   110_B     0.700     0    0.650   0.650     1.904   86.071   86.071
LGA    G   111_B      G   111_B     0.421     0    0.075   0.075     0.476  100.000  100.000
LGA    R   112_B      R   112_B     0.678     0    0.080   1.401     8.425   90.476   60.346
LGA    R   113_B      R   113_B     0.706     0    0.072   0.972     3.163   90.476   78.312
LGA    P   114_B      P   114_B     0.764     0    0.029   0.356     1.037   85.952   87.891
LGA    G   115_B      G   115_B     1.659     0    0.088   0.088     1.716   75.000   75.000
LGA    N   116_B      N   116_B     1.591     0    0.186   0.872     4.984   81.548   63.869
LGA    Y   117_B      Y   117_B     0.902     0    0.068   0.156     1.145   83.690   88.214
LGA    P   118_B      P   118_B     1.432     0    0.048   0.189     1.865   81.429   78.980
LGA    Y   119_B      Y   119_B     0.719     0    0.082   0.413     1.737   90.476   88.333
LGA    W   120_B      W   120_B     0.704     0    0.032   0.185     1.141   90.476   87.891
LGA    G   121_B      G   121_B     0.561     0    0.054   0.054     0.726   90.476   90.476
LGA    Q   122_B      Q   122_B     0.715     0    0.057   0.989     5.862   88.214   67.619
LGA    G   123_B      G   123_B     0.606     0    0.100   0.100     0.678   90.476   90.476
LGA    T   124_B      T   124_B     0.533     0    0.038   0.171     0.659   95.238   93.197
LGA    Q   125_B      Q   125_B     0.317     0    0.019   0.293     0.771  100.000   97.884
LGA    V   126_B      V   126_B     0.363     0    0.077   0.182     0.849   97.619   97.279
LGA    T   127_B      T   127_B     0.607     0    0.033   0.924     2.563   90.476   82.041
LGA    V   128_B      V   128_B     1.039     0    0.072   0.094     1.453   83.690   84.014
LGA    S   129_B      S   129_B     1.341     0    0.115   0.629     3.025   75.119   70.556

# 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):     1.465          1.495                  2.377           85.703   79.697

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    124    1.36    92.800    96.411     8.519

LGA_LOCAL      RMSD:   1.356  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.467  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.465  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.909450 * X  +  -0.161649 * Y  +   0.383107 * Z  + 113.618736
  Y_new =   0.232049 * X  +   0.961833 * Y  +  -0.145021 * Z  + -29.640772
  Z_new =  -0.345042 * X  +   0.220789 * Y  +   0.912249 * Z  + -51.594131 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.249823  0.352284  0.237460   [DEG:   14.3138   20.1844   13.6055 ]
ZXZ:  1.208927  0.422055 -1.001562   [DEG:   69.2664   24.1820  -57.3853 ]
 
# END of job
