
#######################################################
#                                                     #
#                        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       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      10_A - 126_A       0.99     1.33
  LONGEST_CONTINUOUS_SEGMENT:   117      11_A - 127_A       0.99     1.36
  LONGEST_CONTINUOUS_SEGMENT:   117      12_A - 128_A       0.99     1.38
  LCS_AVERAGE:     92.84

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     30  125  125      4   18   79  105  114  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    108  125  125     15   70   99  112  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    108  125  125      4   32   47  105  114  122  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   32   73  106  119  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    114  125  125      4   46   81  107  119  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    117  125  125      5   78  103  115  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    117  125  125     40   87  104  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    117  125  125     53   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    117  125  125     16   85  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    117  125  125     25   83  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    117  125  125     40   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    117  125  125     49   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    117  125  125     46   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    117  125  125     31   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    117  125  125     22   73  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    117  125  125     39   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    117  125  125     54   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    117  125  125     55   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    117  125  125     53   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    117  125  125     49   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    117  125  125      3   46   75  113  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    117  125  125      4   32   75  113  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    117  125  125     13   46   97  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    117  125  125     13   70  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    117  125  125     10   70  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    117  125  125     10   70  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    117  125  125     25   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    117  125  125     25   87  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    117  125  125     23   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    117  125  125     39   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    117  125  125     53   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    117  125  125     20   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    117  125  125     47   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    117  125  125     47   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    117  125  125     30   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    117  125  125     40   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    117  125  125     55   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    117  125  125     52   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    117  125  125     42   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    117  125  125     41   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    117  125  125     53   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    117  125  125     36   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    117  125  125     58   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    117  125  125     30   90  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    117  125  125     30   42  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    117  125  125     28   42   95  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    117  125  125     30   42   97  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    117  125  125     30   69  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    117  125  125     30   81  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    117  125  125     30   66  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    117  125  125     30   81  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    117  125  125     30   58   97  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    117  125  125     30   69  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    117  125  125     30   58   97  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    117  125  125     30   58   97  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    117  125  125     30   68  109  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    112  125  125     30   58  101  117  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  97.61  (  92.84  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     58     90    109    117    121    123    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  46.40  72.00  87.20  93.60  96.80  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    0.35   0.56   0.85   0.97   1.07   1.15   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25
GDT RMS_ALL_AT   1.53   1.42   1.37   1.38   1.31   1.27   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25

# 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     3.890     0    0.146   1.300     8.005   46.667   36.548
LGA    K     6_A      K     6_A     2.084     0    0.033   0.236     4.293   53.810   59.683
LGA    C     7_A      C     7_A     3.904     0    0.016   0.114     6.409   52.024   41.905
LGA    T     8_A      T     8_A     2.860     0    0.012   0.039     3.897   48.452   51.156
LGA    F     9_A      F     9_A     2.709     0    0.078   1.280     9.290   67.143   37.056
LGA    S    10_A      S    10_A     1.312     0    0.107   0.606     2.323   79.286   74.444
LGA    A    11_A      A    11_A     0.493     0    0.075   0.079     0.681   97.619   98.095
LGA    P    12_A      P    12_A     0.267     0    0.034   0.277     0.790   97.619   97.279
LGA    S    13_A      S    13_A     0.568     0    0.041   0.100     0.851   97.619   95.238
LGA    H    14_A      H    14_A     0.249     0    0.018   0.088     0.662  100.000   98.095
LGA    S    15_A      S    15_A     0.216     0    0.068   0.164     0.364  100.000  100.000
LGA    T    16_A      T    16_A     0.398     0    0.042   0.105     0.639   97.619   98.639
LGA    S    17_A      S    17_A     0.542     0    0.015   0.017     0.741   92.857   95.238
LGA    L    18_A      L    18_A     0.596     0    0.021   0.234     0.764   90.476   90.476
LGA    L    19_A      L    19_A     0.558     0    0.014   0.048     0.870   90.476   90.476
LGA    Q    20_A      Q    20_A     0.707     0    0.016   0.706     3.359   90.476   78.307
LGA    G    21_A      G    21_A     0.868     0    0.044   0.044     0.868   90.476   90.476
LGA    L    22_A      L    22_A     0.793     0    0.011   0.076     0.902   90.476   90.476
LGA    A    23_A      A    23_A     0.775     0    0.015   0.029     0.899   90.476   90.476
LGA    T    24_A      T    24_A     1.152     0    0.095   1.126     3.296   83.690   78.231
LGA    L    25_A      L    25_A     1.229     0    0.027   0.132     1.504   81.429   80.357
LGA    R    26_A      R    26_A     0.886     0    0.030   0.186     1.075   88.214   90.519
LGA    A    27_A      A    27_A     1.057     0    0.014   0.034     1.217   83.690   83.238
LGA    Q    28_A      Q    28_A     1.379     0    0.026   0.991     3.511   81.429   75.291
LGA    G    29_A      G    29_A     1.479     0    0.028   0.028     1.652   77.143   77.143
LGA    Q    30_A      Q    30_A     1.414     0    0.032   0.804     3.510   81.429   71.693
LGA    L    31_A      L    31_A     1.344     0    0.030   0.117     1.785   81.429   78.214
LGA    L    32_A      L    32_A     0.870     0    0.052   0.174     1.080   88.214   89.345
LGA    D    33_A      D    33_A     1.005     0    0.019   0.045     1.022   88.214   88.214
LGA    V    34_A      V    34_A     0.531     0    0.046   0.074     0.720   92.857   93.197
LGA    V    35_A      V    35_A     0.398     0    0.051   0.062     0.705  100.000   95.918
LGA    L    36_A      L    36_A     0.385     0    0.027   0.084     0.484  100.000  100.000
LGA    T    37_A      T    37_A     0.483     0    0.037   0.102     0.666   95.238   93.197
LGA    I    38_A      I    38_A     0.822     0    0.031   0.047     1.119   85.952   88.214
LGA    N    39_A      N    39_A     1.519     0    0.044   0.132     1.646   75.000   75.000
LGA    R    40_A      R    40_A     1.686     0    0.046   1.291     5.924   77.143   60.649
LGA    E    41_A      E    41_A     1.106     0    0.068   0.659     1.480   85.952   83.439
LGA    A    42_A      A    42_A     0.497     0    0.024   0.041     0.934   92.857   94.286
LGA    F    43_A      F    43_A     0.755     0    0.047   0.056     1.274   90.476   88.009
LGA    P    44_A      P    44_A     0.731     0    0.045   0.309     1.766   88.214   85.374
LGA    A    45_A      A    45_A     0.330     0    0.032   0.033     0.439  100.000  100.000
LGA    H    46_A      H    46_A     0.547     0    0.022   0.167     1.196   95.238   91.524
LGA    K    47_A      K    47_A     0.649     0    0.035   0.126     0.679   90.476   91.534
LGA    V    48_A      V    48_A     0.734     0    0.052   0.071     0.872   90.476   90.476
LGA    V    49_A      V    49_A     0.596     0    0.027   0.052     0.697   90.476   93.197
LGA    L    50_A      L    50_A     0.498     0    0.027   0.080     0.961   95.238   94.048
LGA    A    51_A      A    51_A     0.866     0    0.014   0.014     1.049   88.214   88.667
LGA    A    52_A      A    52_A     1.117     0    0.098   0.117     1.562   81.548   81.524
LGA    C    53_A      C    53_A     1.466     0    0.110   0.747     1.846   81.429   80.000
LGA    S    54_A      S    54_A     1.125     0    0.039   0.060     1.160   83.690   82.937
LGA    D    55_A      D    55_A     1.246     0    0.060   0.155     2.567   83.690   76.310
LGA    Y    56_A      Y    56_A     0.832     0    0.012   0.032     0.994   90.476   90.476
LGA    F    57_A      F    57_A     0.476     0    0.026   0.084     0.750   95.238   93.939
LGA    R    58_A      R    58_A     0.820     0    0.055   0.306     3.416   90.476   75.152
LGA    A    59_A      A    59_A     0.989     0    0.045   0.056     1.020   88.214   86.857
LGA    M    60_A      M    60_A     0.782     0    0.042   0.074     1.118   88.214   89.345
LGA    F    61_A      F    61_A     0.964     0    0.049   0.076     1.337   85.952   88.831
LGA    T    62_A      T    62_A     1.439     0    0.027   0.058     1.580   79.286   77.755
LGA    G    63_A      G    63_A     1.309     0    0.681   0.681     3.264   73.571   73.571
LGA    G    64_A      G    64_A     2.155     0    0.021   0.021     2.829   64.881   64.881
LGA    M    65_A      M    65_A     1.994     0    0.077   0.666     3.532   72.857   65.238
LGA    R    66_A      R    66_A     1.944     0    0.034   0.820     2.090   72.857   76.104
LGA    E    67_A      E    67_A     1.089     0    0.067   0.162     2.162   81.429   77.778
LGA    A    68_A      A    68_A     1.128     0    0.072   0.082     1.164   81.429   81.429
LGA    S    69_A      S    69_A     1.165     0    0.072   0.069     1.262   81.429   81.429
LGA    Q    70_A      Q    70_A     0.817     0    0.024   0.338     1.393   90.476   88.466
LGA    D    71_A      D    71_A     0.568     0    0.033   1.009     3.458   95.238   83.393
LGA    V    72_A      V    72_A     0.332     0    0.024   0.045     0.502   97.619   98.639
LGA    I    73_A      I    73_A     0.276     0    0.014   0.064     0.430  100.000  100.000
LGA    E    74_A      E    74_A     0.501     0    0.054   0.209     1.246   92.857   91.587
LGA    L    75_A      L    75_A     0.602     0    0.202   0.264     1.354   88.214   94.107
LGA    K    76_A      K    76_A     1.157     0    0.052   0.619     2.103   83.690   80.635
LGA    G    77_A      G    77_A     1.144     0    0.081   0.081     1.383   81.429   81.429
LGA    V    78_A      V    78_A     1.266     0    0.026   1.068     3.839   85.952   78.639
LGA    S    79_A      S    79_A     1.220     0    0.082   0.484     1.886   85.952   84.524
LGA    A    80_A      A    80_A     0.972     0    0.043   0.040     1.116   88.214   86.857
LGA    R    81_A      R    81_A     0.779     0    0.045   1.003     3.841   90.476   82.294
LGA    G    82_A      G    82_A     0.483     0    0.033   0.033     0.645   97.619   97.619
LGA    L    83_A      L    83_A     0.281     0    0.022   0.071     0.328  100.000  100.000
LGA    R    84_A      R    84_A     0.404     0    0.023   0.846     4.375  100.000   70.173
LGA    H    85_A      H    85_A     0.381     0    0.038   0.178     0.881  100.000   97.143
LGA    I    86_A      I    86_A     0.370     0    0.027   0.151     0.751  100.000   97.619
LGA    I    87_A      I    87_A     0.274     0    0.028   0.052     0.434  100.000  100.000
LGA    D    88_A      D    88_A     0.298     0    0.070   0.215     0.502  100.000   98.810
LGA    F    89_A      F    89_A     0.290     0    0.020   0.179     0.647  100.000   99.134
LGA    A    90_A      A    90_A     0.209     0    0.087   0.086     0.753   97.619   98.095
LGA    Y    91_A      Y    91_A     0.228     0    0.061   0.111     0.421  100.000  100.000
LGA    S    92_A      S    92_A     0.292     0    0.031   0.072     0.481  100.000  100.000
LGA    A    93_A      A    93_A     0.563     0    0.034   0.047     0.811   90.476   90.476
LGA    E    94_A      E    94_A     0.483     0    0.071   0.124     1.154  100.000   93.704
LGA    V    95_A      V    95_A     0.874     0    0.082   0.991     2.695   85.952   81.837
LGA    T    96_A      T    96_A     1.379     0    0.037   0.098     2.035   81.429   76.599
LGA    L    97_A      L    97_A     1.085     0    0.042   0.097     1.257   81.429   82.560
LGA    D    98_A      D    98_A     0.736     0    0.018   0.058     1.302   90.476   88.214
LGA    L    99_A      L    99_A     0.616     0    0.015   0.095     1.298   90.476   88.214
LGA    D   100_A      D   100_A     1.041     0    0.034   0.947     3.883   85.952   71.131
LGA    C   101_A      C   101_A     1.051     0    0.071   0.095     1.297   88.214   85.952
LGA    V   102_A      V   102_A     0.552     0    0.023   0.026     0.775   95.238   95.918
LGA    Q   103_A      Q   103_A     0.608     0    0.010   0.765     4.022   90.476   75.608
LGA    D   104_A      D   104_A     0.907     0    0.017   0.369     1.701   90.476   84.881
LGA    V   105_A      V   105_A     0.536     0    0.020   0.046     0.955   95.238   93.197
LGA    L   106_A      L   106_A     0.411     0    0.020   0.078     1.109   95.238   90.595
LGA    G   107_A      G   107_A     0.943     0    0.036   0.036     0.943   90.476   90.476
LGA    A   108_A      A   108_A     0.701     0    0.055   0.061     0.871   95.238   94.286
LGA    A   109_A      A   109_A     0.287     0    0.033   0.040     0.516   97.619   98.095
LGA    V   110_A      V   110_A     0.864     0    0.027   0.043     1.375   90.476   86.599
LGA    F   111_A      F   111_A     0.946     0    0.009   0.428     1.919   90.476   82.381
LGA    L   112_A      L   112_A     0.300     0    0.015   0.033     1.146   95.238   91.726
LGA    Q   113_A      Q   113_A     1.095     0    0.033   0.411     1.601   81.548   81.481
LGA    M   114_A      M   114_A     1.741     0    0.065   1.137     2.454   75.000   70.893
LGA    L   115_A      L   115_A     2.247     0    0.049   1.399     5.461   64.762   52.083
LGA    P   116_A      P   116_A     2.155     0    0.024   0.031     2.633   68.810   64.898
LGA    V   117_A      V   117_A     1.337     0    0.026   0.103     1.623   79.286   81.497
LGA    V   118_A      V   118_A     1.308     0    0.023   0.060     1.579   77.143   77.755
LGA    E   119_A      E   119_A     2.067     0    0.065   0.495     3.626   68.810   62.487
LGA    L   120_A      L   120_A     1.773     0    0.039   1.400     4.217   72.857   64.464
LGA    C   121_A      C   121_A     1.188     0    0.007   0.060     1.419   81.429   84.444
LGA    E   122_A      E   122_A     1.919     0    0.015   0.367     3.495   68.810   65.820
LGA    E   123_A      E   123_A     2.396     0    0.037   0.838     4.884   64.762   51.005
LGA    F   124_A      F   124_A     1.624     0    0.035   0.166     1.850   72.857   84.113
LGA    L   125_A      L   125_A     1.625     0    0.022   0.043     1.961   72.857   76.071
LGA    K   126_A      K   126_A     2.443     0    0.041   1.429     7.885   62.857   44.180
LGA    A   127_A      A   127_A     2.312     0    0.046   0.044     2.340   66.786   66.381
LGA    A   128_A      A   128_A     1.792     0    0.083   0.079     2.152   70.833   72.952
LGA    M   129_A      M   129_A     2.231     0    0.111   1.350     5.611   59.167   55.714

# 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):     1.253          1.249                  1.665           85.788   83.076

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.25    91.400    96.077     9.237

LGA_LOCAL      RMSD:   1.253  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.253  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.253  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.504197 * X  +  -0.847578 * Y  +  -0.165523 * Z  +   1.360240
  Y_new =  -0.435108 * X  +  -0.083760 * Y  +  -0.896474 * Z  +   0.881766
  Z_new =   0.745967 * X  +   0.524019 * Y  +  -0.411019 * Z  + -21.997694 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.711977 -0.841986  2.235927   [DEG:  -40.7933  -48.2422  128.1092 ]
ZXZ: -0.182581  1.994368  0.958415   [DEG:  -10.4611  114.2689   54.9131 ]
 
# END of job
