
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      10_A - 128_A       0.99     1.37
  LONGEST_CONTINUOUS_SEGMENT:   119      11_A - 129_A       0.98     1.40
  LCS_AVERAGE:     93.33

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     L     5_A     L     5_A     15  125  125      4    6   43   71  109  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     31  125  125     12   49   90  113  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     31  125  125      4    7   30   93  110  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    111  125  125      4   18   67  105  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    115  125  125      4   34   86  108  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    119  125  125      5   75  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    119  125  125     42   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    119  125  125     37   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    119  125  125      5   87  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    119  125  125     22   72  106  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    119  125  125     40   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    119  125  125     52   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    119  125  125     23   72  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    119  125  125     37   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    119  125  125     52   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    119  125  125     40   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    119  125  125     51   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    119  125  125     23   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    119  125  125     25   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    119  125  125     31   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    119  125  125      3   36   97  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    119  125  125      4   17   64  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    119  125  125      5   34   97  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    119  125  125     18   87  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    119  125  125     15   87  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    119  125  125     22   85  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    119  125  125     35   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    119  125  125     40   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    119  125  125      5   79  105  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    119  125  125     40   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    119  125  125     54   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    119  125  125     49   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    119  125  125     27   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    119  125  125     32   78  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    119  125  125     32   78  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    119  125  125     39   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    119  125  125     39   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    119  125  125     49   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    119  125  125     49   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    119  125  125     43   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    119  125  125     42   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    119  125  125     52   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    119  125  125     49   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    119  125  125     39   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    119  125  125     39   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    119  125  125     51   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    119  125  125     32   88  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    119  125  125     21   43  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    119  125  125     27   41  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    119  125  125     32   43  106  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    119  125  125     32   78  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    119  125  125     32   84  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    119  125  125     32   72  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    119  125  125     32   72  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    119  125  125     32   84  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    119  125  125     32   73  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    119  125  125     32   42  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    119  125  125     32   73  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    119  125  125     32   73  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    119  125  125     32   50  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    119  125  125     32   42  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    119  125  125     32   72  107  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    119  125  125     29   50  104  117  123  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  97.78  (  93.33  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     54     88    107    117    123    123    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  43.20  70.40  85.60  93.60  98.40  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.56   0.80   0.94   1.14   1.14   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27
GDT RMS_ALL_AT   1.73   1.46   1.39   1.41   1.29   1.29   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27

# Checking swapping
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     4.283     0    0.158   1.450     8.662   43.571   32.738
LGA    K     6_A      K     6_A     2.455     0    0.037   0.241     4.539   50.476   54.021
LGA    C     7_A      C     7_A     4.089     0    0.039   0.097     6.417   50.476   40.873
LGA    T     8_A      T     8_A     2.930     0    0.019   0.039     3.759   48.452   50.136
LGA    F     9_A      F     9_A     2.627     0    0.070   1.269     9.260   67.143   37.706
LGA    S    10_A      S    10_A     1.365     0    0.091   0.613     2.449   79.286   78.730
LGA    A    11_A      A    11_A     0.279     0    0.101   0.106     0.548   97.619   98.095
LGA    P    12_A      P    12_A     0.224     0    0.036   0.280     0.905   97.619   97.279
LGA    S    13_A      S    13_A     0.599     0    0.050   0.064     0.786   92.857   92.063
LGA    H    14_A      H    14_A     0.499     0    0.010   0.077     0.708   97.619   93.333
LGA    S    15_A      S    15_A     0.356     0    0.065   0.157     0.434  100.000  100.000
LGA    T    16_A      T    16_A     0.334     0    0.036   0.102     0.604   97.619   98.639
LGA    S    17_A      S    17_A     0.680     0    0.017   0.016     0.891   92.857   92.063
LGA    L    18_A      L    18_A     0.731     0    0.024   0.258     1.098   90.476   89.345
LGA    L    19_A      L    19_A     0.507     0    0.014   0.048     0.662   90.476   91.667
LGA    Q    20_A      Q    20_A     0.765     0    0.016   0.704     3.344   90.476   78.307
LGA    G    21_A      G    21_A     1.001     0    0.048   0.048     1.001   88.214   88.214
LGA    L    22_A      L    22_A     0.834     0    0.011   0.078     0.921   90.476   90.476
LGA    A    23_A      A    23_A     0.786     0    0.013   0.027     0.904   90.476   90.476
LGA    T    24_A      T    24_A     1.227     0    0.095   1.122     3.338   83.690   78.231
LGA    L    25_A      L    25_A     1.269     0    0.030   0.127     1.597   81.429   79.286
LGA    R    26_A      R    26_A     0.845     0    0.031   0.199     1.160   88.214   88.874
LGA    A    27_A      A    27_A     1.072     0    0.013   0.030     1.228   83.690   83.238
LGA    Q    28_A      Q    28_A     1.425     0    0.026   0.992     3.494   79.286   75.079
LGA    G    29_A      G    29_A     1.472     0    0.021   0.021     1.642   77.143   77.143
LGA    Q    30_A      Q    30_A     1.445     0    0.031   0.826     3.570   81.429   69.947
LGA    L    31_A      L    31_A     1.406     0    0.019   0.103     1.865   81.429   78.214
LGA    L    32_A      L    32_A     0.841     0    0.065   0.222     1.131   88.214   88.214
LGA    D    33_A      D    33_A     0.988     0    0.020   0.042     1.016   88.214   88.214
LGA    V    34_A      V    34_A     0.537     0    0.049   0.086     0.721   92.857   93.197
LGA    V    35_A      V    35_A     0.386     0    0.060   0.066     0.722  100.000   95.918
LGA    L    36_A      L    36_A     0.437     0    0.033   0.091     0.581   97.619   94.048
LGA    T    37_A      T    37_A     0.532     0    0.036   0.098     0.667   90.476   90.476
LGA    I    38_A      I    38_A     0.951     0    0.027   0.083     1.213   85.952   88.214
LGA    N    39_A      N    39_A     1.559     0    0.042   0.131     1.698   75.000   75.000
LGA    R    40_A      R    40_A     1.797     0    0.054   1.267     6.057   75.000   57.619
LGA    E    41_A      E    41_A     1.175     0    0.062   0.644     1.514   85.952   82.487
LGA    A    42_A      A    42_A     0.530     0    0.023   0.040     1.021   88.214   90.571
LGA    F    43_A      F    43_A     0.789     0    0.048   0.060     1.420   90.476   87.186
LGA    P    44_A      P    44_A     0.758     0    0.051   0.343     1.910   88.214   85.374
LGA    A    45_A      A    45_A     0.315     0    0.037   0.043     0.465  100.000  100.000
LGA    H    46_A      H    46_A     0.509     0    0.026   0.108     1.218   95.238   90.571
LGA    K    47_A      K    47_A     0.602     0    0.037   0.096     0.665   90.476   90.476
LGA    V    48_A      V    48_A     0.722     0    0.061   0.095     0.975   90.476   90.476
LGA    V    49_A      V    49_A     0.659     0    0.023   0.049     0.781   90.476   90.476
LGA    L    50_A      L    50_A     0.555     0    0.028   0.094     1.061   92.857   91.726
LGA    A    51_A      A    51_A     0.886     0    0.015   0.016     1.115   88.214   88.667
LGA    A    52_A      A    52_A     1.154     0    0.089   0.109     1.624   81.548   81.524
LGA    C    53_A      C    53_A     1.507     0    0.104   0.740     1.890   79.286   78.571
LGA    S    54_A      S    54_A     1.241     0    0.040   0.062     1.264   81.429   81.429
LGA    D    55_A      D    55_A     1.352     0    0.057   0.167     2.727   83.690   75.298
LGA    Y    56_A      Y    56_A     0.926     0    0.013   0.030     1.091   88.214   85.952
LGA    F    57_A      F    57_A     0.530     0    0.025   0.080     0.859   90.476   90.476
LGA    R    58_A      R    58_A     0.844     0    0.054   0.369     4.412   90.476   68.701
LGA    A    59_A      A    59_A     1.006     0    0.043   0.053     1.029   85.952   85.048
LGA    M    60_A      M    60_A     0.800     0    0.043   0.093     1.146   88.214   89.345
LGA    F    61_A      F    61_A     0.990     0    0.044   0.098     1.403   85.952   88.831
LGA    T    62_A      T    62_A     1.519     0    0.022   0.051     1.753   75.000   74.082
LGA    G    63_A      G    63_A     1.424     0    0.672   0.672     3.452   73.571   73.571
LGA    G    64_A      G    64_A     1.987     0    0.028   0.028     2.808   69.048   69.048
LGA    M    65_A      M    65_A     2.081     0    0.096   1.191     7.423   72.976   53.750
LGA    R    66_A      R    66_A     1.627     0    0.031   0.962     3.498   77.143   72.381
LGA    E    67_A      E    67_A     0.834     0    0.047   0.171     2.280   88.214   81.693
LGA    A    68_A      A    68_A     0.845     0    0.070   0.079     0.883   90.476   90.476
LGA    S    69_A      S    69_A     0.959     0    0.060   0.057     1.198   85.952   84.444
LGA    Q    70_A      Q    70_A     0.696     0    0.022   0.252     1.056   90.476   89.471
LGA    D    71_A      D    71_A     0.564     0    0.021   1.015     3.351   95.238   83.393
LGA    V    72_A      V    72_A     0.329     0    0.023   0.046     0.512   97.619   98.639
LGA    I    73_A      I    73_A     0.326     0    0.014   0.068     0.438  100.000  100.000
LGA    E    74_A      E    74_A     0.495     0    0.058   0.179     0.981   95.238   93.651
LGA    L    75_A      L    75_A     0.685     0    0.178   0.235     1.273   88.214   92.917
LGA    K    76_A      K    76_A     1.276     0    0.035   0.601     2.154   83.690   80.741
LGA    G    77_A      G    77_A     1.370     0    0.053   0.053     1.509   79.286   79.286
LGA    V    78_A      V    78_A     1.445     0    0.017   1.048     4.099   83.690   76.463
LGA    S    79_A      S    79_A     1.455     0    0.096   0.511     2.099   81.429   80.159
LGA    A    80_A      A    80_A     1.258     0    0.047   0.046     1.404   81.429   81.429
LGA    R    81_A      R    81_A     0.929     0    0.046   0.176     1.056   88.214   89.654
LGA    G    82_A      G    82_A     0.543     0    0.040   0.040     0.749   95.238   95.238
LGA    L    83_A      L    83_A     0.466     0    0.022   0.069     0.548  100.000   97.619
LGA    R    84_A      R    84_A     0.536     0    0.026   0.958     4.409   95.238   69.048
LGA    H    85_A      H    85_A     0.439     0    0.035   0.184     0.925   97.619   94.286
LGA    I    86_A      I    86_A     0.386     0    0.023   0.144     0.591  100.000   98.810
LGA    I    87_A      I    87_A     0.465     0    0.031   0.054     0.688  100.000   95.238
LGA    D    88_A      D    88_A     0.416     0    0.043   0.195     0.575  100.000   98.810
LGA    F    89_A      F    89_A     0.287     0    0.032   0.195     0.719  100.000   97.403
LGA    A    90_A      A    90_A     0.243     0    0.086   0.085     0.659   97.619   98.095
LGA    Y    91_A      Y    91_A     0.296     0    0.032   0.102     0.395  100.000  100.000
LGA    S    92_A      S    92_A     0.311     0    0.030   0.099     0.399  100.000  100.000
LGA    A    93_A      A    93_A     0.401     0    0.030   0.045     0.625   97.619   96.190
LGA    E    94_A      E    94_A     0.411     0    0.054   0.135     1.131  100.000   93.704
LGA    V    95_A      V    95_A     0.805     0    0.083   1.035     2.712   88.214   81.905
LGA    T    96_A      T    96_A     1.233     0    0.035   0.083     1.777   81.429   78.980
LGA    L    97_A      L    97_A     1.017     0    0.046   0.087     1.145   83.690   84.821
LGA    D    98_A      D    98_A     0.663     0    0.019   0.061     1.131   90.476   89.345
LGA    L    99_A      L    99_A     0.459     0    0.020   0.078     1.034   95.238   91.726
LGA    D   100_A      D   100_A     0.931     0    0.030   0.929     3.800   88.214   73.095
LGA    C   101_A      C   101_A     1.036     0    0.086   0.103     1.285   88.214   85.952
LGA    V   102_A      V   102_A     0.484     0    0.026   0.031     0.737   97.619   98.639
LGA    Q   103_A      Q   103_A     0.570     0    0.019   0.785     4.012   90.476   75.608
LGA    D   104_A      D   104_A     0.803     0    0.010   0.282     1.340   90.476   89.345
LGA    V   105_A      V   105_A     0.526     0    0.020   0.051     0.936   95.238   93.197
LGA    L   106_A      L   106_A     0.390     0    0.026   0.080     1.085   95.238   91.726
LGA    G   107_A      G   107_A     0.933     0    0.036   0.036     0.933   90.476   90.476
LGA    A   108_A      A   108_A     0.703     0    0.062   0.069     0.875   95.238   94.286
LGA    A   109_A      A   109_A     0.206     0    0.026   0.032     0.523   97.619   98.095
LGA    V   110_A      V   110_A     0.899     0    0.029   0.044     1.422   88.214   85.306
LGA    F   111_A      F   111_A     0.965     0    0.009   0.423     1.803   90.476   82.381
LGA    L   112_A      L   112_A     0.196     0    0.017   0.036     1.006   97.619   94.107
LGA    Q   113_A      Q   113_A     1.107     0    0.047   0.609     1.775   81.548   80.529
LGA    M   114_A      M   114_A     1.708     0    0.061   1.141     2.590   77.143   70.060
LGA    L   115_A      L   115_A     2.163     0    0.054   1.399     5.336   66.786   54.048
LGA    P   116_A      P   116_A     2.055     0    0.025   0.031     2.537   68.810   65.986
LGA    V   117_A      V   117_A     1.257     0    0.023   0.091     1.534   81.548   82.789
LGA    V   118_A      V   118_A     1.229     0    0.021   0.060     1.496   81.429   81.429
LGA    E   119_A      E   119_A     1.969     0    0.066   0.519     3.537   70.833   63.386
LGA    L   120_A      L   120_A     1.693     0    0.037   1.399     4.129   72.857   64.464
LGA    C   121_A      C   121_A     1.097     0    0.007   0.058     1.329   81.429   84.444
LGA    E   122_A      E   122_A     1.815     0    0.018   0.388     3.445   68.810   66.720
LGA    E   123_A      E   123_A     2.279     0    0.036   0.814     4.782   64.762   51.852
LGA    F   124_A      F   124_A     1.544     0    0.036   0.146     1.754   77.143   86.537
LGA    L   125_A      L   125_A     1.528     0    0.030   0.048     1.825   75.000   78.214
LGA    K   126_A      K   126_A     2.363     0    0.035   1.431     7.950   62.857   44.180
LGA    A   127_A      A   127_A     2.243     0    0.048   0.046     2.263   68.810   68.000
LGA    A   128_A      A   128_A     1.628     0    0.090   0.087     2.039   70.833   72.952
LGA    M   129_A      M   129_A     2.192     0    0.113   1.125     5.793   61.190   56.726

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     1.267          1.257                  1.711           85.743   82.714

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.27    91.000    95.937     9.144

LGA_LOCAL      RMSD:   1.267  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.267  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.267  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.762591 * X  +   0.575575 * Y  +   0.295243 * Z  +  -2.125275
  Y_new =  -0.015602 * X  +  -0.439913 * Y  +   0.897905 * Z  +   0.153145
  Z_new =   0.646693 * X  +  -0.689341 * Y  +  -0.326493 * Z  + -18.565840 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.020456 -0.703240 -2.013128   [DEG:   -1.1721  -40.2927 -115.3437 ]
ZXZ:  2.823915  1.903388  2.388105   [DEG:  161.7984  109.0561  136.8283 ]
 
# END of job
