
#######################################################
#                                                     #
#                        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  128 (  961),  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       0.88     1.53
  LCS_AVERAGE:     64.76

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     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     98  125  125     15   72  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     98  125  125     67   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     98  125  125     48   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     98  125  125     73   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     98  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     98  125  125     59   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     98  125  125     28   97  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     98  125  125     23   93  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     98  125  125      3   97  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     98  125  125     16   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     98  125  125     73   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     98  125  125     60   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     98  125  125     74   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     98  125  125     73   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     98  125  125     65   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     98  125  125     60   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     98  125  125     11   71  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     98  125  125      4   29   96  114  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     98  125  125      6   69  108  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     98  125  125     16   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     98  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     98  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     98  125  125      9   51  103  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     98  125  125      3    3    3    8   40   74  118  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     98  125  125      5    6   11  111  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     98  125  125     47   98  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     98  125  125     67   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     98  125  125     72   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     98  125  125     14   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     98  125  125     74   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     98  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     98  125  125     16   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     98  125  125      3   34  109  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     46  125  125      3    4    5    8   47  106  119  121  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      4  125  125      3    4    4   82  115  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      4  125  125      3    4    8    9    9   39   52   65   94  115  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      3    3    8    9    9   31   66  109  122  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      4  125  125      3    3   21   87  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B     12  125  125      3    5    9   11   18   41  110  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B     21  125  125      6   11   95  114  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     21  125  125     19   91  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     21  125  125      9   40  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     21  125  125     43   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     21  125  125      9   77  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     21  125  125     12   79  109  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     21  125  125     33   95  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     21  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     21  125  125     21   92  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     21  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     21  125  125     64   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     21  125  125     70   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     21  125  125     75   99  111  115  117  119  120  122  123  124  124  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.25  (  64.76  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     75     99    111    115    117    119    120    122    123    124    124    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  60.00  79.20  88.80  92.00  93.60  95.20  96.00  97.60  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.47   0.64   0.73   0.78   0.89   0.96   1.13   1.21   1.31   1.31   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46
GDT RMS_ALL_AT   1.57   1.53   1.51   1.50   1.50   1.48   1.47   1.47   1.47   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:  Y    34_B      Y    34_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.486     0    0.682   0.584    10.029   88.810   49.259
LGA    L     6_B      L     6_B     0.120     0    0.037   0.195     0.910  100.000   97.619
LGA    V     7_B      V     7_B     0.186     0    0.083   0.874     2.314  100.000   91.088
LGA    E     8_B      E     8_B     0.452     0    0.031   0.430     0.869   95.238   93.651
LGA    S     9_B      S     9_B     0.261     0    0.049   0.728     2.659  100.000   92.857
LGA    G    10_B      G    10_B     0.519     0    0.683   0.683     2.967   84.524   84.524
LGA    G    11_B      G    11_B     1.367     0    0.049   0.049     1.587   83.810   83.810
LGA    G    12_B      G    12_B     1.045     0    0.000   0.000     1.045   88.214   88.214
LGA    L    13_B      L    13_B     1.243     0    0.082   0.258     2.655   81.429   77.321
LGA    V    14_B      V    14_B     0.813     0    0.034   1.225     2.587   90.476   80.952
LGA    Q    15_B      Q    15_B     0.741     0    0.060   0.704     3.077   90.476   76.561
LGA    A    16_B      A    16_B     0.541     0    0.065   0.071     0.751   90.476   90.476
LGA    G    17_B      G    17_B     0.649     0    0.075   0.075     0.649   90.476   90.476
LGA    G    18_B      G    18_B     0.718     0    0.091   0.091     1.147   88.214   88.214
LGA    S    19_B      S    19_B     0.687     0    0.032   0.079     1.193   90.476   88.968
LGA    L    20_B      L    20_B     0.488     0    0.006   1.113     2.638   95.238   85.357
LGA    G    21_B      G    21_B     0.618     0    0.104   0.104     0.618   95.238   95.238
LGA    L    22_B      L    22_B     0.320     0    0.071   0.088     0.633  100.000   97.619
LGA    S    23_B      S    23_B     0.316     0    0.025   0.747     1.887  100.000   93.889
LGA    C    24_B      C    24_B     0.307     0    0.049   0.127     0.526   97.619   98.413
LGA    A    25_B      A    25_B     0.214     0    0.046   0.069     0.292  100.000  100.000
LGA    A    26_B      A    26_B     0.230     0    0.025   0.031     0.356  100.000  100.000
LGA    S    27_B      S    27_B     0.188     0    0.127   0.593     1.996  100.000   95.476
LGA    G    28_B      G    28_B     1.262     0    0.134   0.134     2.357   77.262   77.262
LGA    R    29_B      R    29_B     1.256     0    0.309   1.841     8.983   85.952   51.429
LGA    T    30_B      T    30_B     1.376     0    0.594   1.110     5.436   81.548   63.810
LGA    F    31_B      F    31_B     0.962     0    0.020   0.112     1.323   90.595   88.874
LGA    S    32_B      S    32_B     0.573     0    0.068   0.576     1.731   90.476   87.540
LGA    N    33_B      N    33_B     1.118     0    0.074   1.231     5.118   90.595   71.964
LGA    Y    34_B      Y    34_B     0.324     0    0.098   0.380     0.982  100.000   95.238
LGA    V    35_B      V    35_B     0.231     0    0.070   0.943     2.167  100.000   91.088
LGA    M    36_B      M    36_B     0.269     0    0.024   0.186     0.588  100.000   98.810
LGA    A    37_B      A    37_B     0.369     0    0.107   0.141     0.398  100.000  100.000
LGA    W    38_B      W    38_B     0.637     0    0.021   0.182     0.771   92.857   95.238
LGA    F    39_B      F    39_B     0.540     0    0.050   0.075     1.034   95.238   91.385
LGA    R    40_B      R    40_B     0.323     0    0.033   0.098     0.785   97.619   94.805
LGA    Q    41_B      Q    41_B     0.507     0    0.068   0.576     2.856   95.238   83.968
LGA    A    42_B      A    42_B     0.507     0    0.064   0.072     0.590   95.238   94.286
LGA    P    43_B      P    43_B     0.546     0    0.120   0.160     0.728   90.476   93.197
LGA    G    44_B      G    44_B     0.843     0    0.147   0.147     1.878   83.810   83.810
LGA    K    45_B      K    45_B     1.494     0    0.082   0.988     3.761   79.286   68.995
LGA    E    46_B      E    46_B     2.185     0    0.097   0.683     2.856   70.833   70.370
LGA    R    47_B      R    47_B     1.676     0    0.093   1.306     5.414   75.000   64.502
LGA    E    48_B      E    48_B     0.810     0    0.017   0.236     1.131   90.476   89.471
LGA    F    49_B      F    49_B     0.500     0    0.050   0.154     0.955   95.238   92.208
LGA    V    50_B      V    50_B     0.351     0    0.018   0.070     0.619   92.857   95.918
LGA    A    51_B      A    51_B     0.772     0    0.007   0.030     0.890   92.857   92.381
LGA    R    52_B      R    52_B     0.518     0    0.077   0.926     2.801   90.476   81.818
LGA    I    53_B      I    53_B     0.617     0    0.022   0.199     0.881   92.857   91.667
LGA    S    54_B      S    54_B     0.563     0    0.039   0.466     1.627   90.476   87.540
LGA    E    55_B      E    55_B     0.309     0    0.193   1.002     2.051   86.548   85.820
LGA    S    56_B      S    56_B     2.092     0    0.385   0.413     2.827   67.024   63.730
LGA    R    57_B      R    57_B     4.648     0    0.052   1.011    14.893   45.476   18.009
LGA    G    58_B      G    58_B     2.727     0    0.307   0.307     3.464   61.429   61.429
LGA    T    59_B      T    59_B     1.437     0    0.033   1.298     3.182   81.429   72.449
LGA    T    60_B      T    60_B     1.213     0    0.028   1.307     3.321   83.690   74.762
LGA    D    61_B      D    61_B     0.972     0    0.012   0.706     2.233   88.214   80.655
LGA    Y    62_B      Y    62_B     0.466     0    0.061   0.142     0.691   95.238   93.651
LGA    A    63_B      A    63_B     0.383     0    0.071   0.070     0.437  100.000  100.000
LGA    D    64_B      D    64_B     0.597     0    0.110   0.285     1.620   95.238   89.524
LGA    S    65_B      S    65_B     0.585     0    0.058   0.096     0.647   90.476   92.063
LGA    V    66_B      V    66_B     0.650     0    0.107   0.206     0.951   90.476   91.837
LGA    K    67_B      K    67_B     0.732     0    0.039   0.959     5.602   90.476   71.217
LGA    G    68_B      G    68_B     0.614     0    0.043   0.043     0.695   92.857   92.857
LGA    R    69_B      R    69_B     0.372     0    0.027   0.300     1.312  100.000   94.848
LGA    F    70_B      F    70_B     0.234     0    0.010   0.221     0.734  100.000   97.403
LGA    T    71_B      T    71_B     0.308     0    0.095   0.194     0.752   97.619   97.279
LGA    I    72_B      I    72_B     0.345     0    0.030   0.213     0.792  100.000   97.619
LGA    S    73_B      S    73_B     0.273     0    0.036   0.676     2.110  100.000   94.127
LGA    R    74_B      R    74_B     0.403     0    0.038   0.248     0.684   97.619   96.537
LGA    D    75_B      D    75_B     0.176     0    0.025   0.668     1.765  100.000   93.095
LGA    N    76_B      N    76_B     0.216     0    0.163   0.171     1.162   92.976   94.107
LGA    A    77_B      A    77_B     0.388     0    0.015   0.043     0.740   97.619   98.095
LGA    K    78_B      K    78_B     0.999     0    0.105   0.932     2.188   90.476   80.741
LGA    N    79_B      N    79_B     0.225     0    0.057   0.249     0.752  100.000   98.810
LGA    T    80_B      T    80_B     0.388     0    0.023   1.235     3.087  100.000   87.823
LGA    I    81_B      I    81_B     0.663     0    0.044   0.708     2.681   90.476   86.310
LGA    Y    82_B      Y    82_B     0.471     0    0.027   0.088     0.656  100.000   93.651
LGA    L    83_B      L    83_B     0.660     0    0.053   0.190     0.762   92.857   91.667
LGA    Q    84_B      Q    84_B     0.699     0    0.047   0.279     1.609   92.857   87.566
LGA    M    85_B      M    85_B     0.486     0    0.164   0.752     2.367   90.595   88.571
LGA    N    86_B      N    86_B     0.590     0    0.045   0.198     0.948   95.238   94.048
LGA    S    87_B      S    87_B     0.458     0    0.031   0.141     1.037  100.000   96.905
LGA    L    88_B      L    88_B     0.415     0    0.103   0.213     0.724   97.619   97.619
LGA    N    89_B      N    89_B     0.570     0    0.036   1.001     3.632   90.476   79.167
LGA    P    90_B      P    90_B     0.619     0    0.039   0.068     0.855   90.476   90.476
LGA    G    91_B      G    91_B     0.506     0    0.092   0.092     0.832   90.476   90.476
LGA    D    92_B      D    92_B     0.379     0    0.055   0.128     0.673  100.000   95.238
LGA    T    93_B      T    93_B     0.480     0    0.059   1.195     2.625  100.000   87.483
LGA    A    94_B      A    94_B     0.453     0    0.021   0.034     0.489  100.000  100.000
LGA    V    95_B      V    95_B     0.279     0    0.060   1.200     2.519  100.000   88.844
LGA    Y    96_B      Y    96_B     0.143     0    0.023   0.083     0.509  100.000   99.206
LGA    S    97_B      S    97_B     0.446     0    0.024   0.032     0.471  100.000  100.000
LGA    C    98_B      C    98_B     0.446     0    0.029   0.700     1.940  100.000   93.889
LGA    A    99_B      A    99_B     0.150     0    0.050   0.069     0.405  100.000  100.000
LGA    A   100_B      A   100_B     0.257     0    0.036   0.037     0.491  100.000  100.000
LGA    T   101_B      T   101_B     0.757     0    0.082   1.030     3.604   95.238   82.653
LGA    L   102_B      L   102_B     1.760     0    0.472   0.493     9.146   73.333   44.048
LGA    P   103_B      P   103_B     5.038     0    0.069   0.181     7.068   30.714   25.374
LGA    A   104_B      A   104_B     3.668     0    0.665   0.628     5.095   39.167   44.286
LGA    W   105_B      W   105_B     7.308     0    0.673   1.351    14.529   14.881    4.456
LGA    T   106_B      T   106_B     5.859     0    0.683   0.573     6.718   19.524   23.946
LGA    G   107_B      G   107_B     3.886     0    0.178   0.178     3.886   58.571   58.571
LGA    I   108_B      I   108_B     4.691     0    0.509   1.577    11.224   38.810   21.250
LGA    I   109_B      I   109_B     2.554     0    0.360   1.116     4.172   55.476   53.036
LGA    G   110_B      G   110_B     1.244     0    0.058   0.058     1.685   83.810   83.810
LGA    G   111_B      G   111_B     1.331     0    0.101   0.101     1.506   79.286   79.286
LGA    R   112_B      R   112_B     0.990     0    0.102   0.523     2.991   88.214   74.848
LGA    R   113_B      R   113_B     0.902     0    0.022   0.959     3.896   90.476   76.450
LGA    P   114_B      P   114_B     1.407     0    0.019   0.350     1.779   81.429   81.497
LGA    G   115_B      G   115_B     1.831     0    0.106   0.106     1.831   75.000   75.000
LGA    N   116_B      N   116_B     1.152     0    0.095   1.116     3.045   85.952   77.679
LGA    Y   117_B      Y   117_B     0.362     0    0.014   0.128     1.645   90.595   86.786
LGA    P   118_B      P   118_B     1.354     0    0.062   0.190     1.815   83.690   80.272
LGA    Y   119_B      Y   119_B     0.361     0    0.043   0.196     1.149   97.619   92.143
LGA    W   120_B      W   120_B     0.602     0    0.048   0.206     1.618   90.476   87.279
LGA    G   121_B      G   121_B     0.548     0    0.064   0.064     0.648   92.857   92.857
LGA    Q   122_B      Q   122_B     0.409     0    0.067   1.501     6.233  100.000   71.693
LGA    G   123_B      G   123_B     0.178     0    0.082   0.082     0.600   97.619   97.619
LGA    T   124_B      T   124_B     0.204     0    0.044   0.958     2.537  100.000   90.000
LGA    Q   125_B      Q   125_B     0.171     0    0.020   0.901     3.308  100.000   86.667
LGA    V   126_B      V   126_B     0.457     0    0.048   0.162     0.967   95.238   95.918
LGA    T   127_B      T   127_B     0.566     0    0.067   1.074     2.908   90.476   83.401
LGA    V   128_B      V   128_B     0.560     0    0.084   0.106     0.738   90.476   91.837
LGA    S   129_B      S   129_B     0.578     0    0.150   0.168     1.164   85.952   89.048

# 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):     1.457          1.409                  2.436           88.710   83.751

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  125    4.0    122    1.13    92.200    95.747     9.917

LGA_LOCAL      RMSD:   1.130  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.467  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.457  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.697931 * X  +  -0.296773 * Y  +  -0.651781 * Z  + 146.714844
  Y_new =  -0.055112 * X  +  -0.929656 * Y  +   0.364283 * Z  +  15.730757
  Z_new =  -0.714041 * X  +  -0.218324 * Y  +  -0.665191 * Z  +  22.043493 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.078801  0.795254 -2.824459   [DEG:   -4.5150   45.5647 -161.8296 ]
ZXZ: -2.080450  2.298547 -1.867527   [DEG: -119.2010  131.6970 -107.0014 ]
 
# END of job
