
#######################################################
#                                                     #
#                        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  123 (  960),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       3.01     3.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.65     3.21
  LCS_AVERAGE:     71.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.82     3.33
  LCS_AVERAGE:     66.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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_H     Q     1_B     99  103  123     18   65  102  108  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V     2_H     V     2_B     99  103  123     36   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L     4_H     L     4_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V     5_H     V     5_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     E     6_H     E     6_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S     7_H     S     7_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G     8_H     G     8_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G     9_H     G     9_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    10_H     G    10_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L    11_H     L    11_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    12_H     V    12_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    14_H     A    14_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    15_H     G    15_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    16_H     G    16_B     99  103  123     67   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    17_H     S    17_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L    18_H     L    18_B     99  103  123     53   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    19_H     R    19_B     99  103  123     19   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L    20_H     L    20_B     99  103  123     54   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    21_H     S    21_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     C    22_H     C    22_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    23_H     A    23_B     99  103  123     61   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    24_H     A    24_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    25_H     S    25_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    26_H     G    26_B     99  103  123     11   94  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     F    27_H     F    27_B     99  103  123     15   98  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     I    28_H     I    28_B     99  103  123     26   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     F    29_H     F    29_B     99  103  123      6   89  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     H    30_H     H    30_B     99  103  123      4   14  101  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     N    31_H     N    31_B     99  103  123      3   67  104  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     F    32_H     F    32_B     99  103  123     10   98  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D    33_H     D    33_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     M    34_H     M    34_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    35_H     G    35_B     99  103  123     25   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     W    36_H     W    36_B     99  103  123     58   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    38_H     R    38_B     99  103  123     46   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    40_H     A    40_B     99  103  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     P    41_H     P    41_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    42_H     G    42_B     99  103  123      4   58  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     K    43_H     K    43_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     E    44_H     E    44_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    45_H     R    45_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     E    46_H     E    46_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     F    47_H     F    47_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    48_H     V    48_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    49_H     A    49_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    50_H     A    50_B     99  103  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     I    51_H     I    51_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    52_H     S    52_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D    53_H     D    53_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     N    54_H     N    54_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    55_H     G    55_B     99  103  123     52   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    56_H     R    56_B     99  103  123     13   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    57_H     S    57_B     99  103  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T    58_H     T    58_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    61_H     A    61_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D    62_H     D    62_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    63_H     S    63_B     99  103  123     58   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    64_H     V    64_B     99  103  123     59   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     K    65_H     K    65_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G    66_H     G    66_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    67_H     R    67_B     99  103  123     53   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     F    68_H     F    68_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T    69_H     T    69_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     I    70_H     I    70_B     99  103  123     55   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    71_H     S    71_B     99  103  123     55   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     R    72_H     R    72_B     99  103  123     67   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D    73_H     D    73_B     99  103  123     67   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     N    74_H     N    74_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    75_H     A    75_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     K    76_H     K    76_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     N    77_H     N    77_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T    78_H     T    78_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    79_H     V    79_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L    81_H     L    81_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     M    83_H     M    83_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     N    84_H     N    84_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S    85_H     S    85_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     L    86_H     L    86_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     K    87_H     K    87_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     P    88_H     P    88_B     99  103  123     67   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     E    89_H     E    89_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D    90_H     D    90_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T    91_H     T    91_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    92_H     A    92_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    93_H     V    93_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     C    96_H     C    96_B     99  103  123     56   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    97_H     A    97_B     99  103  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V    98_H     V    98_B     99  103  123     12   93  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   13   38   88  109  112  112  114  115  116  116  117  119  119  120  120  122  122  123 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    5    5   15   32   56   83  109  113  115  116  117  117  119  120  120  122  122  123 
LCS_GDT     L   101_H     L   101_B      6  103  123     11   32   87  104  110  111  113  114  114  115  116  118  118  119  119  120  120  122  122  123 
LCS_GDT     S   102_H     S   102_B      6  103  123      4   16   38   57   86  106  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     I   103_H     I   103_B      6  103  123      3    5    6    6    6    8    8   10   62   81  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     P   104_H     P   104_B      6    7  123      3    4    6    6    9   14   20   30   44   57   72   93  106  107  111  116  120  122  122  123 
LCS_GDT     D   105_H     D   105_B      6    7  123      3    5    6    6    6    8   10   15   20   27   44   60   71   83  106  112  120  121  122  123 
LCS_GDT     L   106_H     L   106_B      6    7  123      3    6   12   17   27   34   46   59   85  103  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    4    5    6    8   11   22   39   54   71   93  106  108  115  120  120  122  122  123 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    4    8   22   32   46   59   94  108  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    4   44   67   95  110  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    4    4    8    8   13   79  109  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     D   111_H     D   111_B      3   14  123      3    4    4   48   77  106  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     W   113_H     W   113_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G   114_H     G   114_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     10   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     G   116_H     G   116_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T   117_H     T   117_B     12   14  123     46   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V   119_H     V   119_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     T   120_H     T   120_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     V   121_H     V   121_B     12   14  123     71   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S   122_H     S   122_B     12   14  123     66   99  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_GDT     S   123_H     S   123_B     12   14  123     10   97  106  109  110  111  113  114  114  115  117  118  118  119  119  120  120  122  122  123 
LCS_AVERAGE  LCS_A:  79.27  (  66.12   71.68  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     71     99    106    109    110    111    113    114    114    115    117    118    118    119    119    120    120    122    122    123 
GDT PERCENT_AT  57.72  80.49  86.18  88.62  89.43  90.24  91.87  92.68  92.68  93.50  95.12  95.93  95.93  96.75  96.75  97.56  97.56  99.19  99.19 100.00
GDT RMS_LOCAL    0.39   0.50   0.60   0.67   0.71   0.79   1.11   1.28   1.17   1.33   2.12   2.13   2.13   2.17   2.17   2.27   2.27   2.72   2.72   3.01
GDT RMS_ALL_AT   3.32   3.33   3.34   3.33   3.31   3.30   3.22   3.18   3.24   3.19   3.03   3.03   3.03   3.04   3.04   3.05   3.05   3.01   3.01   3.01

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   possible swapping detected:  F    29_H      F    29_B
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  Y    59_H      Y    59_B
#   possible swapping detected:  Y    60_H      Y    60_B
#   possible swapping detected:  Y    80_H      Y    80_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  Y    95_H      Y    95_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  Y   110_H      Y   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.966     0    0.627   1.227     7.055   77.738   53.862
LGA    V     2_H      V     2_B     0.706     0    0.082   0.143     1.594   92.976   86.803
LGA    Q     3_H      Q     3_B     0.260     0    0.050   0.923     3.453  100.000   84.497
LGA    L     4_H      L     4_B     0.493     0    0.089   0.183     0.754   92.857   95.238
LGA    V     5_H      V     5_B     0.588     0    0.041   0.066     0.601   90.476   90.476
LGA    E     6_H      E     6_B     0.658     0    0.049   0.695     2.759   90.476   83.810
LGA    S     7_H      S     7_B     0.488     0    0.059   0.105     0.599   95.238   95.238
LGA    G     8_H      G     8_B     0.519     0    0.101   0.101     0.593   92.857   92.857
LGA    G     9_H      G     9_B     0.346     0    0.122   0.122     1.247   95.357   95.357
LGA    G    10_H      G    10_B     0.371     0    0.153   0.153     0.808   95.238   95.238
LGA    L    11_H      L    11_B     0.250     0    0.087   0.661     1.518  100.000   94.286
LGA    V    12_H      V    12_B     0.236     0    0.098   0.942     2.356   95.357   88.435
LGA    Q    13_H      Q    13_B     0.239     0    0.035   1.323     3.848  100.000   82.434
LGA    A    14_H      A    14_B     0.254     0    0.026   0.025     0.305  100.000  100.000
LGA    G    15_H      G    15_B     0.394     0    0.150   0.150     0.671   97.619   97.619
LGA    G    16_H      G    16_B     0.566     0    0.033   0.033     0.588   95.238   95.238
LGA    S    17_H      S    17_B     0.379     0    0.054   0.808     2.826   97.619   91.270
LGA    L    18_H      L    18_B     0.626     0    0.031   0.867     3.791   90.476   82.381
LGA    R    19_H      R    19_B     0.882     0    0.036   1.731     7.624   90.476   65.671
LGA    L    20_H      L    20_B     0.623     0    0.066   0.251     0.878   95.238   92.857
LGA    S    21_H      S    21_B     0.299     0    0.135   0.374     1.567   95.357   92.381
LGA    C    22_H      C    22_B     0.254     0    0.037   0.116     0.650  100.000   98.413
LGA    A    23_H      A    23_B     0.411     0    0.026   0.038     0.760  100.000   98.095
LGA    A    24_H      A    24_B     0.397     0    0.025   0.033     0.731  100.000   98.095
LGA    S    25_H      S    25_B     0.758     0    0.060   0.223     1.526   85.952   84.524
LGA    G    26_H      G    26_B     2.057     0    0.072   0.072     2.195   66.786   66.786
LGA    F    27_H      F    27_B     1.952     0    0.053   1.364     7.149   72.857   50.130
LGA    I    28_H      I    28_B     1.582     0    0.608   1.106     3.758   67.143   61.726
LGA    F    29_H      F    29_B     1.337     0    0.130   1.239     7.924   81.429   50.909
LGA    H    30_H      H    30_B     2.020     0    0.696   0.958     4.207   59.881   67.286
LGA    N    31_H      N    31_B     1.415     0    0.026   0.325     1.860   81.429   78.214
LGA    F    32_H      F    32_B     1.103     0    0.081   0.204     1.393   83.690   82.251
LGA    D    33_H      D    33_B     0.971     0    0.082   0.567     1.900   85.952   83.810
LGA    M    34_H      M    34_B     0.669     0    0.015   1.010     3.110   92.857   83.393
LGA    G    35_H      G    35_B     0.801     0    0.106   0.106     0.801   90.476   90.476
LGA    W    36_H      W    36_B     0.823     0    0.071   0.202     0.876   90.476   94.558
LGA    Y    37_H      Y    37_B     0.800     0    0.047   0.302     2.071   90.476   82.421
LGA    R    38_H      R    38_B     0.687     0    0.066   0.577     1.547   90.476   89.740
LGA    Q    39_H      Q    39_B     0.732     0    0.060   0.603     3.339   90.476   82.063
LGA    A    40_H      A    40_B     0.647     0    0.081   0.107     0.778   90.476   90.476
LGA    P    41_H      P    41_B     0.831     0    0.618   0.754     2.622   82.143   83.197
LGA    G    42_H      G    42_B     2.120     0    0.277   0.277     2.776   64.881   64.881
LGA    K    43_H      K    43_B     0.690     0    0.084   0.693     4.312   90.476   73.810
LGA    E    44_H      E    44_B     0.708     0    0.102   1.160     4.333   92.857   77.090
LGA    R    45_H      R    45_B     0.773     0    0.097   1.212     5.196   88.214   68.918
LGA    E    46_H      E    46_B     0.721     0    0.080   0.739     2.893   90.476   80.000
LGA    F    47_H      F    47_B     0.544     0    0.057   0.118     1.014   92.857   90.519
LGA    V    48_H      V    48_B     0.489     0    0.025   0.067     0.562   97.619   98.639
LGA    A    49_H      A    49_B     0.580     0    0.038   0.041     0.776   92.857   92.381
LGA    A    50_H      A    50_B     0.811     0    0.113   0.157     1.498   90.476   88.667
LGA    I    51_H      I    51_B     0.278     0    0.071   0.434     0.939   97.619   96.429
LGA    S    52_H      S    52_B     0.631     0    0.090   0.077     0.783   95.238   93.651
LGA    D    53_H      D    53_B     0.440     0    0.084   0.191     0.795   92.857   91.667
LGA    N    54_H      N    54_B     0.513     0    0.359   1.082     5.376   86.429   69.167
LGA    G    55_H      G    55_B     0.529     0    0.045   0.045     0.980   90.476   90.476
LGA    R    56_H      R    56_B     1.499     0    0.024   1.119     4.710   83.690   60.823
LGA    S    57_H      S    57_B     0.259     0    0.076   0.568     1.823   97.619   93.889
LGA    T    58_H      T    58_B     0.349     0    0.072   0.256     0.793  100.000   98.639
LGA    Y    59_H      Y    59_B     0.900     0    0.024   1.302     9.847   90.476   50.873
LGA    Y    60_H      Y    60_B     0.804     0    0.023   0.055     0.986   90.476   90.476
LGA    A    61_H      A    61_B     0.721     0    0.065   0.074     0.766   90.476   90.476
LGA    D    62_H      D    62_B     0.768     0    0.047   0.224     0.847   90.476   90.476
LGA    S    63_H      S    63_B     0.899     0    0.104   0.568     2.588   90.476   84.921
LGA    V    64_H      V    64_B     0.814     0    0.038   0.087     0.915   90.476   90.476
LGA    K    65_H      K    65_B     0.686     0    0.017   1.118     6.137   90.476   70.688
LGA    G    66_H      G    66_B     0.759     0    0.179   0.179     1.627   86.071   86.071
LGA    R    67_H      R    67_B     0.912     0    0.130   1.395     3.037   90.476   77.532
LGA    F    68_H      F    68_B     0.286     0    0.091   0.264     1.121   95.238   93.983
LGA    T    69_H      T    69_B     0.337     0    0.072   0.093     0.552  100.000   98.639
LGA    I    70_H      I    70_B     0.414     0    0.079   0.222     0.561  100.000   98.810
LGA    S    71_H      S    71_B     0.437     0    0.050   0.222     0.848   95.238   93.651
LGA    R    72_H      R    72_B     0.422     0    0.041   0.742     1.852   95.238   82.597
LGA    D    73_H      D    73_B     0.522     0    0.067   0.223     1.089   95.238   91.726
LGA    N    74_H      N    74_B     0.500     0    0.056   1.065     2.834   97.619   85.536
LGA    A    75_H      A    75_B     0.357     0    0.122   0.131     0.913   97.619   98.095
LGA    K    76_H      K    76_B     0.354     0    0.036   0.549     2.512  100.000   91.164
LGA    N    77_H      N    77_B     0.177     0    0.073   0.528     1.397  100.000   95.357
LGA    T    78_H      T    78_B     0.121     0    0.027   0.982     2.232  100.000   91.088
LGA    V    79_H      V    79_B     0.205     0    0.037   1.026     2.319  100.000   89.932
LGA    Y    80_H      Y    80_B     0.289     0    0.021   0.218     0.583  100.000   98.413
LGA    L    81_H      L    81_B     0.164     0    0.054   0.066     0.516  100.000   98.810
LGA    Q    82_H      Q    82_B     0.577     0    0.035   0.959     3.329   95.238   82.275
LGA    M    83_H      M    83_B     0.629     0    0.053   0.733     1.697   90.476   84.881
LGA    N    84_H      N    84_B     0.481     0    0.018   0.228     0.744  100.000   97.619
LGA    S    85_H      S    85_B     0.321     0    0.047   0.639     2.087  100.000   94.127
LGA    L    86_H      L    86_B     0.337     0    0.116   0.370     1.294  100.000   96.488
LGA    K    87_H      K    87_B     0.416     0    0.032   1.181     5.203  100.000   78.571
LGA    P    88_H      P    88_B     0.593     0    0.124   0.378     1.240   95.238   91.905
LGA    E    89_H      E    89_B     0.397     0    0.067   0.967     3.826   97.619   80.053
LGA    D    90_H      D    90_B     0.470     0    0.051   0.412     1.138   95.238   94.107
LGA    T    91_H      T    91_B     0.468     0    0.019   0.164     0.765  100.000   98.639
LGA    A    92_H      A    92_B     0.502     0    0.031   0.038     0.519   95.238   96.190
LGA    V    93_H      V    93_B     0.523     0    0.033   0.119     0.664   90.476   90.476
LGA    Y    94_H      Y    94_B     0.432     0    0.033   0.145     0.692   95.238   98.413
LGA    Y    95_H      Y    95_B     0.668     0    0.080   0.179     1.183   90.476   88.968
LGA    C    96_H      C    96_B     0.938     0    0.047   0.648     1.337   90.476   87.460
LGA    A    97_H      A    97_B     0.354     0    0.101   0.141     0.934   92.857   92.381
LGA    V    98_H      V    98_B     1.787     0    0.022   1.000     4.272   63.690   59.116
LGA    A    99_H      A    99_B     4.245     0    0.093   0.098     4.595   40.476   41.048
LGA    W   100_H      W   100_B     7.325     0    0.066   1.524    15.631   15.476    4.524
LGA    L   101_H      L   101_B     3.308     0    0.625   0.652     5.885   43.571   45.060
LGA    S   102_H      S   102_B     5.412     0    0.045   0.569     9.617   17.738   20.556
LGA    I   103_H      I   103_B    10.356     0    0.664   1.578    12.717    1.190    0.595
LGA    P   104_H      P   104_B    13.151     0    0.095   0.519    15.252    0.000    0.000
LGA    D   105_H      D   105_B    15.963     0    0.645   1.355    21.989    0.000    0.000
LGA    L   106_H      L   106_B    10.871     0    0.422   0.443    12.671    0.119    1.369
LGA    A   107_H      A   107_B    12.729     0    0.028   0.025    14.797    0.000    0.000
LGA    E   108_H      E   108_B    10.632     0    0.288   0.633    17.400    1.905    0.847
LGA    W   109_H      W   109_B     6.770     0    0.196   1.039    15.738   11.190    3.741
LGA    Y   110_H      Y   110_B     7.490     0    0.636   1.183    17.119   11.667    4.286
LGA    D   111_H      D   111_B     5.635     0    0.126   0.467     9.573   32.976   19.107
LGA    Y   112_H      Y   112_B     0.468     0    0.587   1.191     3.900   91.190   70.238
LGA    W   113_H      W   113_B     0.491     0    0.044   0.276     1.468   95.238   87.959
LGA    G   114_H      G   114_B     0.525     0    0.034   0.034     0.953   92.857   92.857
LGA    Q   115_H      Q   115_B     1.396     0    0.064   0.978     7.431   83.690   56.349
LGA    G   116_H      G   116_B     0.259     0    0.022   0.022     0.477  100.000  100.000
LGA    T   117_H      T   117_B     0.545     0    0.143   0.178     0.940   92.857   91.837
LGA    Q   118_H      Q   118_B     0.597     0    0.105   1.082     2.742   92.857   82.116
LGA    V   119_H      V   119_B     0.234     0    0.062   0.151     0.565   97.619   97.279
LGA    T   120_H      T   120_B     0.462     0    0.143   0.285     1.121   97.619   94.626
LGA    V   121_H      V   121_B     0.476     0    0.038   0.243     1.113   92.857   90.544
LGA    S   122_H      S   122_B     0.663     0    0.029   0.167     0.942   92.857   93.651
LGA    S   123_H      S   123_B     1.428     0    0.197   0.680     4.341   77.143   68.413

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     960    960  100.00               123
SUMMARY(RMSD_GDC):     3.006          2.968                  3.991           83.656   78.216

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.28    89.837    86.067     8.276

LGA_LOCAL      RMSD:   1.277  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.178  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.006  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.831297 * X  +  -0.254314 * Y  +  -0.494236 * Z  +  29.323500
  Y_new =   0.523233 * X  +   0.058025 * Y  +   0.850212 * Z  + -36.064991
  Z_new =  -0.187543 * X  +  -0.965379 * Y  +   0.181301 * Z  + -16.656164 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.561769  0.188661 -1.385156   [DEG:   32.1870   10.8095  -79.3636 ]
ZXZ: -2.615030  1.388487 -2.949713   [DEG: -149.8302   79.5544 -169.0061 ]
 
# END of job
