
#######################################################
#                                                     #
#                        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  122 (  951),  selected  122 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  122 , 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:   122       2_B - 123_B       2.37     2.37
  LCS_AVERAGE:     99.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.91     2.43
  LCS_AVERAGE:     76.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       2_B - 99_B        0.86     2.40
  LCS_AVERAGE:     65.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  122
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     V     2_H     V     2_B     98  106  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q     3_H     Q     3_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L     4_H     L     4_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V     5_H     V     5_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     E     6_H     E     6_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S     7_H     S     7_B     98  106  122     32   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G     8_H     G     8_B     98  106  122     50   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G     9_H     G     9_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    10_H     G    10_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L    11_H     L    11_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    12_H     V    12_B     98  106  122     60   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q    13_H     Q    13_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    14_H     A    14_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    15_H     G    15_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    16_H     G    16_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    17_H     S    17_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L    18_H     L    18_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    19_H     R    19_B     98  106  122     56   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L    20_H     L    20_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    21_H     S    21_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     C    22_H     C    22_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    23_H     A    23_B     98  106  122     25   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    24_H     A    24_B     98  106  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    25_H     S    25_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    26_H     G    26_B     98  106  122      6   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     F    27_H     F    27_B     98  106  122      6   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     I    28_H     I    28_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     F    29_H     F    29_B     98  106  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     H    30_H     H    30_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     N    31_H     N    31_B     98  106  122     25   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     F    32_H     F    32_B     98  106  122      9   78  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D    33_H     D    33_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     M    34_H     M    34_B     98  106  122     52   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    35_H     G    35_B     98  106  122     32   95  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     W    36_H     W    36_B     98  106  122     61   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    37_H     Y    37_B     98  106  122     61   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    38_H     R    38_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q    39_H     Q    39_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    40_H     A    40_B     98  106  122      8   63  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     P    41_H     P    41_B     98  106  122      8   18   95  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    42_H     G    42_B     98  106  122      8   78  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     K    43_H     K    43_B     98  106  122     54   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     E    44_H     E    44_B     98  106  122     39   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    45_H     R    45_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     E    46_H     E    46_B     98  106  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     F    47_H     F    47_B     98  106  122     48   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    48_H     V    48_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    49_H     A    49_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    50_H     A    50_B     98  106  122     61   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     I    51_H     I    51_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    52_H     S    52_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D    53_H     D    53_B     98  106  122     62   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     N    54_H     N    54_B     98  106  122      9   78  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    55_H     G    55_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    56_H     R    56_B     98  106  122     46   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    57_H     S    57_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T    58_H     T    58_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    59_H     Y    59_B     98  106  122     61   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    60_H     Y    60_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    61_H     A    61_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D    62_H     D    62_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    63_H     S    63_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    64_H     V    64_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     K    65_H     K    65_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G    66_H     G    66_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    67_H     R    67_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     F    68_H     F    68_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T    69_H     T    69_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     I    70_H     I    70_B     98  106  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    71_H     S    71_B     98  106  122     51   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     R    72_H     R    72_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D    73_H     D    73_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     N    74_H     N    74_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    75_H     A    75_B     98  106  122     64   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     K    76_H     K    76_B     98  106  122     59   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     N    77_H     N    77_B     98  106  122     61   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T    78_H     T    78_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    79_H     V    79_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    80_H     Y    80_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L    81_H     L    81_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q    82_H     Q    82_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     M    83_H     M    83_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     N    84_H     N    84_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S    85_H     S    85_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L    86_H     L    86_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     K    87_H     K    87_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     P    88_H     P    88_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     E    89_H     E    89_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D    90_H     D    90_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T    91_H     T    91_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    92_H     A    92_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    93_H     V    93_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    94_H     Y    94_B     98  106  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y    95_H     Y    95_B     98  106  122     55   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     C    96_H     C    96_B     98  106  122     36   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    97_H     A    97_B     98  106  122     52   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V    98_H     V    98_B     98  106  122      8   52   90  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A    99_H     A    99_B     98  106  122      3    6   21   49   91  107  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     W   100_H     W   100_B      4  106  122      3    3    6    8   10   19   26   46   92  108  113  117  117  119  120  121  122  122  122  122 
LCS_GDT     L   101_H     L   101_B      4  106  122      3    3    4   14   25   36   61   87   99  113  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S   102_H     S   102_B      5  106  122      3    5    5    5    7   12   15   21   48   85  114  117  117  119  120  121  122  122  122  122 
LCS_GDT     I   103_H     I   103_B      5  106  122      4    5    5    5    7   25   60   96  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     P   104_H     P   104_B      5  106  122      4    5   26   44   74  110  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     D   105_H     D   105_B      5  106  122      4   14   28   91  107  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     L   106_H     L   106_B      5  106  122      4    5    5   45  105  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     A   107_H     A   107_B      3  106  122      3    7   63   88  103  109  110  112  113  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     E   108_H     E   108_B      3    7  122      3    3    4    6   11   14   18   31   64   83  103  114  115  116  119  121  122  122  122  122 
LCS_GDT     W   109_H     W   109_B      3    4  122      3    3    4    6    8   59  108  112  112  112  114  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y   110_H     Y   110_B      3    4  122      3    3    4    6    6    8    9   11   20   41   97  114  115  116  119  121  122  122  122  122 
LCS_GDT     D   111_H     D   111_B      3   13  122      3    3    3    5    8   44  107  112  112  112  114  117  117  119  120  121  122  122  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  122     63   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  122     45   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  122     45   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  122     64   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  122     65   97  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  122     18   95  107  108  109  111  112  113  114  114  115  117  117  119  120  121  122  122  122  122 
LCS_AVERAGE  LCS_A:  80.19  (  65.28   76.10   99.19 )

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     65     97    107    108    109    111    112    113    114    114    115    117    117    119    120    121    122    122    122    122 
GDT PERCENT_AT  52.85  78.86  86.99  87.80  88.62  90.24  91.06  91.87  92.68  92.68  93.50  95.12  95.12  96.75  97.56  98.37  99.19  99.19  99.19  99.19
GDT RMS_LOCAL    0.34   0.49   0.62   0.65   0.70   0.85   0.95   1.06   1.18   1.16   1.27   1.76   1.55   1.88   2.04   2.19   2.37   2.37   2.37   2.37
GDT RMS_ALL_AT   2.41   2.40   2.40   2.40   2.39   2.41   2.42   2.42   2.43   2.41   2.41   2.45   2.39   2.39   2.39   2.38   2.37   2.37   2.37   2.37

# Checking swapping
#   possible swapping detected:  F    27_H      F    27_B
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  Y    95_H      Y    95_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  D   111_H      D   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     2_H      V     2_B     0.711     0    0.129   1.233     3.384   88.214   78.367
LGA    Q     3_H      Q     3_B     0.430     0    0.141   1.086     3.277   97.619   84.550
LGA    L     4_H      L     4_B     0.302     0    0.014   0.766     1.819  100.000   92.024
LGA    V     5_H      V     5_B     0.311     0    0.011   0.093     0.428  100.000  100.000
LGA    E     6_H      E     6_B     0.387     0    0.105   0.458     1.610   92.976   86.614
LGA    S     7_H      S     7_B     1.136     0    0.075   0.548     1.881   92.976   87.698
LGA    G     8_H      G     8_B     0.859     0    0.720   0.720     3.943   74.286   74.286
LGA    G     9_H      G     9_B     0.566     0    0.111   0.111     0.918   92.857   92.857
LGA    G    10_H      G    10_B     0.499     0    0.147   0.147     0.764   97.619   97.619
LGA    L    11_H      L    11_B     0.535     0    0.041   0.630     1.674   90.476   88.452
LGA    V    12_H      V    12_B     0.652     0    0.030   0.253     1.300   90.476   90.544
LGA    Q    13_H      Q    13_B     0.400     0    0.055   1.325     4.620  100.000   80.635
LGA    A    14_H      A    14_B     0.275     0    0.033   0.047     0.453  100.000  100.000
LGA    G    15_H      G    15_B     0.466     0    0.134   0.134     0.498  100.000  100.000
LGA    G    16_H      G    16_B     0.430     0    0.026   0.026     0.624   95.238   95.238
LGA    S    17_H      S    17_B     0.384     0    0.062   0.806     2.367   97.619   92.540
LGA    L    18_H      L    18_B     0.536     0    0.032   1.270     3.713   92.857   81.369
LGA    R    19_H      R    19_B     0.625     0    0.043   1.676     6.655   90.476   68.442
LGA    L    20_H      L    20_B     0.430     0    0.095   0.310     0.789  100.000   97.619
LGA    S    21_H      S    21_B     0.158     0    0.042   0.774     2.723  100.000   92.857
LGA    C    22_H      C    22_B     0.145     0    0.114   0.260     0.987   97.619   96.825
LGA    A    23_H      A    23_B     1.026     0    0.081   0.101     1.528   90.595   87.048
LGA    A    24_H      A    24_B     0.575     0    0.093   0.110     1.173   95.238   92.476
LGA    S    25_H      S    25_B     0.437     0    0.021   0.174     0.892   95.238   96.825
LGA    G    26_H      G    26_B     1.171     0    0.052   0.052     1.741   81.548   81.548
LGA    F    27_H      F    27_B     1.258     0    0.103   1.310     9.501   88.214   47.446
LGA    I    28_H      I    28_B     0.355     0    0.105   1.457     3.522   95.238   78.690
LGA    F    29_H      F    29_B     0.816     0    0.095   1.329     7.683   90.476   56.234
LGA    H    30_H      H    30_B     0.509     0    0.055   1.006     5.077   90.476   66.810
LGA    N    31_H      N    31_B     1.357     0    0.098   1.053     3.967   79.286   74.583
LGA    F    32_H      F    32_B     1.637     0    0.178   0.539     7.231   83.810   48.788
LGA    D    33_H      D    33_B     0.325     0    0.077   1.045     5.641   95.238   72.440
LGA    M    34_H      M    34_B     0.839     0    0.075   0.559     3.264   90.476   81.071
LGA    G    35_H      G    35_B     1.179     0    0.111   0.111     1.179   85.952   85.952
LGA    W    36_H      W    36_B     0.547     0    0.026   0.120     0.708   92.857   97.279
LGA    Y    37_H      Y    37_B     0.531     0    0.034   0.141     1.091   95.238   90.556
LGA    R    38_H      R    38_B     0.304     0    0.047   1.096     2.481  100.000   89.221
LGA    Q    39_H      Q    39_B     0.556     0    0.087   0.375     1.432   90.595   88.519
LGA    A    40_H      A    40_B     1.677     0    0.038   0.058     1.833   75.000   74.571
LGA    P    41_H      P    41_B     2.097     0    0.078   0.411     2.259   66.786   69.456
LGA    G    42_H      G    42_B     1.610     0    0.294   0.294     2.622   68.929   68.929
LGA    K    43_H      K    43_B     0.911     0    0.040   0.862     2.430   88.214   81.693
LGA    E    44_H      E    44_B     1.424     0    0.084   1.169     7.326   81.429   55.238
LGA    R    45_H      R    45_B     0.583     0    0.038   1.234     5.345   90.476   71.861
LGA    E    46_H      E    46_B     0.622     0    0.098   0.769     2.052   92.857   86.667
LGA    F    47_H      F    47_B     0.692     0    0.122   0.358     3.470   88.214   72.338
LGA    V    48_H      V    48_B     0.406     0    0.063   0.142     0.472  100.000  100.000
LGA    A    49_H      A    49_B     0.244     0    0.034   0.054     0.651   97.619   96.190
LGA    A    50_H      A    50_B     0.465     0    0.130   0.143     0.794   97.619   96.190
LGA    I    51_H      I    51_B     0.370     0    0.044   0.437     1.050  100.000   95.298
LGA    S    52_H      S    52_B     0.302     0    0.043   0.083     1.114   97.619   93.730
LGA    D    53_H      D    53_B     0.818     0    0.097   0.417     1.532   85.952   86.012
LGA    N    54_H      N    54_B     1.475     0    0.143   1.185     3.562   77.262   67.500
LGA    G    55_H      G    55_B     0.678     0    0.071   0.071     0.807   90.476   90.476
LGA    R    56_H      R    56_B     0.784     0    0.071   0.866     4.695   90.476   68.182
LGA    S    57_H      S    57_B     0.726     0    0.055   0.714     3.284   92.857   83.810
LGA    T    58_H      T    58_B     0.433     0    0.043   0.263     1.153   95.238   94.626
LGA    Y    59_H      Y    59_B     0.556     0    0.028   0.279     3.109   97.619   78.730
LGA    Y    60_H      Y    60_B     0.214     0    0.024   0.114     0.574  100.000   99.206
LGA    A    61_H      A    61_B     0.307     0    0.032   0.044     0.370  100.000  100.000
LGA    D    62_H      D    62_B     0.413     0    0.121   0.386     1.482   95.238   90.595
LGA    S    63_H      S    63_B     0.529     0    0.206   0.581     3.042   88.452   82.381
LGA    V    64_H      V    64_B     0.292     0    0.097   0.157     0.821   97.619   94.558
LGA    K    65_H      K    65_B     0.314     0    0.042   1.114     6.180  100.000   77.566
LGA    G    66_H      G    66_B     0.345     0    0.029   0.029     0.380  100.000  100.000
LGA    R    67_H      R    67_B     0.238     0    0.095   0.550     2.156   97.619   92.468
LGA    F    68_H      F    68_B     0.491     0    0.063   0.485     1.473  100.000   94.892
LGA    T    69_H      T    69_B     0.545     0    0.083   0.085     0.699   90.476   93.197
LGA    I    70_H      I    70_B     0.635     0    0.061   0.250     0.834   92.857   91.667
LGA    S    71_H      S    71_B     0.725     0    0.046   0.197     1.041   90.476   88.968
LGA    R    72_H      R    72_B     0.481     0    0.058   0.814     2.036   97.619   88.312
LGA    D    73_H      D    73_B     0.524     0    0.035   0.258     1.675   97.619   90.714
LGA    N    74_H      N    74_B     0.374     0    0.126   0.778     2.166   97.619   92.083
LGA    A    75_H      A    75_B     0.584     0    0.032   0.052     0.744   92.857   92.381
LGA    K    76_H      K    76_B     0.760     0    0.058   0.555     2.474   90.476   79.841
LGA    N    77_H      N    77_B     0.790     0    0.089   1.004     3.382   88.214   76.786
LGA    T    78_H      T    78_B     0.427     0    0.059   1.051     2.366   95.238   87.007
LGA    V    79_H      V    79_B     0.391     0    0.073   0.987     2.360  100.000   89.932
LGA    Y    80_H      Y    80_B     0.231     0    0.019   0.115     0.348  100.000  100.000
LGA    L    81_H      L    81_B     0.213     0    0.036   0.087     0.585  100.000   98.810
LGA    Q    82_H      Q    82_B     0.321     0    0.030   0.720     2.621  100.000   86.243
LGA    M    83_H      M    83_B     0.162     0    0.052   0.224     0.625  100.000   98.810
LGA    N    84_H      N    84_B     0.154     0    0.042   0.581     1.385  100.000   95.357
LGA    S    85_H      S    85_B     0.228     0    0.053   0.617     2.002  100.000   94.127
LGA    L    86_H      L    86_B     0.301     0    0.054   0.194     0.752  100.000   96.429
LGA    K    87_H      K    87_B     0.279     0    0.038   0.937     2.284  100.000   87.989
LGA    P    88_H      P    88_B     0.322     0    0.064   0.353     1.240  100.000   97.347
LGA    E    89_H      E    89_B     0.335     0    0.152   0.465     2.885   97.619   84.127
LGA    D    90_H      D    90_B     0.181     0    0.037   0.399     1.520  100.000   94.226
LGA    T    91_H      T    91_B     0.293     0    0.036   0.188     0.669  100.000   98.639
LGA    A    92_H      A    92_B     0.419     0    0.058   0.058     0.469  100.000  100.000
LGA    V    93_H      V    93_B     0.393     0    0.050   1.165     3.339   97.619   85.102
LGA    Y    94_H      Y    94_B     0.258     0    0.041   0.110     0.670  100.000   97.619
LGA    Y    95_H      Y    95_B     0.570     0    0.081   0.237     1.681   90.476   89.881
LGA    C    96_H      C    96_B     0.752     0    0.126   0.215     1.135   92.857   90.556
LGA    A    97_H      A    97_B     0.781     0    0.092   0.153     1.604   83.810   83.333
LGA    V    98_H      V    98_B     2.559     0    0.058   0.096     4.652   54.286   47.007
LGA    A    99_H      A    99_B     4.901     0    0.058   0.080     6.120   27.262   29.238
LGA    W   100_H      W   100_B     8.909     0    0.581   1.632    15.756    8.571    2.449
LGA    L   101_H      L   101_B     8.649     0    0.139   1.088    12.304    8.929    4.464
LGA    S   102_H      S   102_B     8.025     0    0.669   0.797    11.669   12.262    8.175
LGA    I   103_H      I   103_B     5.665     0    0.129   1.143     8.756   20.000   14.167
LGA    P   104_H      P   104_B     4.476     0    0.071   0.434     6.887   31.310   36.667
LGA    D   105_H      D   105_B     3.769     0    0.163   0.527     5.995   56.071   41.845
LGA    L   106_H      L   106_B     3.036     0    0.584   1.379     8.647   61.429   39.286
LGA    A   107_H      A   107_B     5.245     0    0.700   0.649     8.445   24.524   23.048
LGA    E   108_H      E   108_B    10.751     0    0.391   0.606    17.115    0.833    0.370
LGA    W   109_H      W   109_B     7.340     0    0.670   1.196    12.757    9.524    4.456
LGA    Y   110_H      Y   110_B     9.580     0    0.607   1.289    14.768    1.310    0.437
LGA    D   111_H      D   111_B     6.986     0    0.679   1.267    10.271   20.238   10.833
LGA    Y   112_H      Y   112_B     0.394     0    0.618   1.181     3.460   89.286   74.762
LGA    W   113_H      W   113_B     0.441     0    0.067   0.154     0.614  100.000   99.320
LGA    G   114_H      G   114_B     0.186     0    0.069   0.069     0.326  100.000  100.000
LGA    Q   115_H      Q   115_B     0.223     0    0.117   1.050     3.062   97.619   86.349
LGA    G   116_H      G   116_B     0.615     0    0.068   0.068     1.262   90.595   90.595
LGA    T   117_H      T   117_B     0.877     0    0.078   0.150     1.023   90.476   89.184
LGA    Q   118_H      Q   118_B     0.796     0    0.067   1.120     3.743   90.476   77.884
LGA    V   119_H      V   119_B     0.535     0    0.104   0.149     0.755   92.857   93.197
LGA    T   120_H      T   120_B     0.557     0    0.157   1.141     2.400   92.857   84.490
LGA    V   121_H      V   121_B     0.535     0    0.031   0.266     1.292   92.857   91.905
LGA    S   122_H      S   122_B     0.408     0    0.064   0.565     2.277   95.238   89.365
LGA    S   123_H      S   123_B     1.551     0    0.643   0.651     2.654   71.310   66.587

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      122     488    488  100.00     951    951  100.00               123
SUMMARY(RMSD_GDC):     2.371          2.290                  3.472           84.726   78.315

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  122  123    4.0    113    1.06    89.228    86.805     9.771

LGA_LOCAL      RMSD:   1.056  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.420  Number of assigned atoms:  122 
Std_ASGN_ATOMS RMSD:   2.371  Standard rmsd on all 122 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.985452 * X  +  -0.122093 * Y  +   0.118226 * Z  +  25.728680
  Y_new =  -0.011562 * X  +   0.645869 * Y  +   0.763361 * Z  + -34.714508
  Z_new =  -0.169559 * X  +  -0.753623 * Y  +   0.635061 * Z  + -27.250330 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.011732  0.170383 -0.870569   [DEG:   -0.6722    9.7622  -49.8799 ]
ZXZ:  2.987937  0.882709 -2.920285   [DEG:  171.1962   50.5755 -167.3200 ]
 
# END of job
