
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.83     0.83
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C    121  121  121     19  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     51  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     69  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     26  102  114  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      4    4    4   20  107  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     58  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121      6   67  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     44  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     51  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     59  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     59  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     29   97  113  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     65  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     65  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     56  104  115  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     64  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     66  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     64  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     69  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     21  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     70  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121      8  102  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121      8   75  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121      8   75  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     10   82  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     40  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     65  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     24  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     24  102  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     24   82  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121     31   76  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     37   92  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     45  102  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     65  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     65  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     71  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     72  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     69  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     73  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     69  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     60  104  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    3   55   85  111  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     73    104    116    119    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  60.33  85.95  95.87  98.35  98.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.49   0.68   0.71   0.71   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83
GDT RMS_ALL_AT   0.85   0.86   0.84   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.811     0    0.195   1.167     5.425   92.857   69.952
LGA    T    12_B      T    12_C     0.215     0    0.036   1.117     2.565  100.000   87.755
LGA    D    13_B      D    13_C     0.110     0    0.049   1.180     4.254  100.000   83.333
LGA    K    14_B      K    14_C     0.093     0    0.023   0.571     3.395  100.000   88.413
LGA    L    15_B      L    15_C     0.199     0    0.028   0.103     0.453  100.000  100.000
LGA    W    16_B      W    16_C     0.320     0    0.065   0.182     1.518  100.000   90.034
LGA    Y    17_B      Y    17_C     0.258     0    0.025   0.143     1.116  100.000   95.317
LGA    I    18_B      I    18_C     0.333     0    0.017   0.067     0.410  100.000  100.000
LGA    L    19_B      L    19_C     0.369     0    0.021   0.075     0.599  100.000   98.810
LGA    Q    20_B      Q    20_C     0.356     0    0.042   1.417     4.495  100.000   79.577
LGA    E    21_B      E    21_C     0.494     0    0.011   1.033     5.253   97.619   73.069
LGA    L    22_B      L    22_C     0.721     0    0.027   1.372     3.184   90.476   81.071
LGA    T    23_B      T    23_C     0.688     0    0.041   0.079     0.829   90.476   90.476
LGA    S    24_B      S    24_C     0.439     0    0.044   0.080     1.201   95.238   92.143
LGA    N    25_B      N    25_C     1.448     0    0.519   0.663     4.443   73.214   60.417
LGA    R    26_B      R    26_C     3.020     0    0.626   0.927     5.072   54.167   46.407
LGA    G    27_B      G    27_C     0.815     0    0.119   0.119     1.068   88.214   88.214
LGA    D    28_B      D    28_C     1.624     0    0.171   0.960     2.626   79.286   71.131
LGA    I    29_B      I    29_C     0.756     0    0.057   0.077     1.300   85.952   87.083
LGA    Q    30_B      Q    30_C     0.820     0    0.074   0.140     1.961   92.857   83.651
LGA    G    31_B      G    31_C     0.341     0    0.040   0.040     0.493  100.000  100.000
LGA    C    32_B      C    32_C     0.353     0    0.024   0.784     1.962  100.000   93.889
LGA    T    33_B      T    33_C     0.241     0    0.033   0.148     0.572  100.000   98.639
LGA    I    34_B      I    34_C     0.216     0    0.007   0.026     0.235  100.000  100.000
LGA    V    35_B      V    35_C     0.168     0    0.010   1.116     2.529  100.000   88.844
LGA    T    36_B      T    36_C     0.259     0    0.039   0.068     0.465  100.000  100.000
LGA    T    37_B      T    37_C     0.336     0    0.035   0.069     1.014  100.000   94.626
LGA    Q    38_B      Q    38_C     0.418     0    0.055   1.053     4.380   95.238   85.767
LGA    G    39_B      G    39_C     0.508     0    0.020   0.020     0.807   92.857   92.857
LGA    L    40_B      L    40_C     0.792     0    0.023   0.037     1.622   95.238   86.190
LGA    P    41_B      P    41_C     0.465     0    0.014   0.046     0.880   97.619   94.558
LGA    I    42_B      I    42_C     0.470     0    0.038   0.069     0.494  100.000  100.000
LGA    T    43_B      T    43_C     0.423     0    0.034   0.044     0.534  100.000   98.639
LGA    S    44_B      S    44_C     0.300     0    0.057   0.611     2.396   97.619   92.540
LGA    L    45_B      L    45_C     0.594     0    0.118   0.745     2.419   92.857   87.321
LGA    L    46_B      L    46_C     0.936     0    0.017   0.087     1.294   85.952   85.952
LGA    A    47_B      A    47_C     1.014     0    0.017   0.026     1.251   85.952   85.048
LGA    D    48_B      D    48_C     0.428     0    0.041   0.087     1.110   90.595   91.726
LGA    D    49_B      D    49_C     1.641     0    0.103   0.830     2.379   79.286   77.321
LGA    A    50_B      A    50_C     1.060     0    0.115   0.132     1.199   81.429   83.238
LGA    N    51_B      N    51_C     1.103     0    0.108   0.132     1.722   83.690   81.488
LGA    V    52_B      V    52_C     0.509     0    0.039   0.078     0.737   90.476   91.837
LGA    S    53_B      S    53_C     0.796     0    0.042   0.585     2.810   85.952   81.905
LGA    L    54_B      L    54_C     1.194     0    0.030   0.104     1.651   81.429   80.357
LGA    I    55_B      I    55_C     1.029     0    0.024   0.027     1.130   85.952   85.952
LGA    S    56_B      S    56_C     0.823     0    0.025   0.024     0.920   90.476   90.476
LGA    A    57_B      A    57_C     0.970     0    0.013   0.022     0.991   90.476   90.476
LGA    M    58_B      M    58_C     0.875     0    0.025   0.859     2.929   90.476   82.143
LGA    S    59_B      S    59_C     0.834     0    0.014   0.019     0.911   90.476   90.476
LGA    A    60_B      A    60_C     0.808     0    0.024   0.034     0.849   90.476   90.476
LGA    A    61_B      A    61_C     0.883     0    0.013   0.017     1.005   90.476   88.667
LGA    I    62_B      I    62_C     0.742     0    0.024   0.155     1.198   90.476   89.345
LGA    I    63_B      I    63_C     0.435     0    0.028   0.605     1.859  100.000   95.417
LGA    S    64_B      S    64_C     0.534     0    0.039   0.722     2.527   90.476   84.921
LGA    V    65_B      V    65_C     0.347     0    0.024   0.075     0.486  100.000  100.000
LGA    A    66_B      A    66_C     0.308     0    0.016   0.021     0.417  100.000  100.000
LGA    E    67_B      E    67_C     0.376     0    0.025   1.166     4.673  100.000   79.630
LGA    S    68_B      S    68_C     0.325     0    0.043   0.755     2.157  100.000   94.127
LGA    A    69_B      A    69_C     0.081     0    0.013   0.016     0.201  100.000  100.000
LGA    S    70_B      S    70_C     0.277     0    0.012   0.060     0.479  100.000  100.000
LGA    Q    71_B      Q    71_C     0.434     0    0.036   0.648     2.985  100.000   79.894
LGA    E    72_B      E    72_C     0.434     0    0.051   0.150     0.771  100.000   95.767
LGA    L    73_B      L    73_C     0.199     0    0.050   0.271     1.177  100.000   96.488
LGA    Q    74_B      Q    74_C     0.378     0    0.069   0.118     2.146  100.000   86.931
LGA    R    75_B      R    75_C     0.334     0    0.117   1.428     3.520   97.619   80.909
LGA    G    76_B      G    76_C     0.506     0    0.092   0.092     0.643   92.857   92.857
LGA    Y    77_B      Y    77_C     1.313     0    0.092   1.307     9.299   85.952   49.206
LGA    L    78_B      L    78_C     0.350     0    0.132   0.225     0.746   95.238   95.238
LGA    Q    79_B      Q    79_C     0.465     0    0.037   0.573     2.448  100.000   87.884
LGA    R    80_B      R    80_C     0.668     0    0.079   0.740     2.729   92.857   84.199
LGA    I    81_B      I    81_C     0.689     0    0.011   0.690     3.017   90.476   85.417
LGA    L    82_B      L    82_C     0.525     0    0.049   0.175     1.196   90.476   89.345
LGA    L    83_B      L    83_C     0.495     0    0.041   0.807     2.126  100.000   92.202
LGA    E    84_B      E    84_C     0.320     0    0.065   0.120     1.308   92.976   88.571
LGA    G    85_B      G    85_C     1.089     0    0.037   0.037     1.109   83.690   83.690
LGA    E    86_B      E    86_C     1.386     0    0.049   0.727     2.587   77.143   77.937
LGA    L    87_B      L    87_C     1.926     0    0.022   0.045     2.959   70.833   64.940
LGA    G    88_B      G    88_C     1.715     0    0.033   0.033     1.732   77.143   77.143
LGA    T    89_B      T    89_C     0.857     0    0.053   0.127     1.258   85.952   86.599
LGA    I    90_B      I    90_C     0.293     0    0.008   0.070     0.555  100.000   98.810
LGA    I    91_B      I    91_C     0.103     0    0.046   0.080     0.752  100.000   98.810
LGA    I    92_B      I    92_C     0.444     0    0.019   0.038     0.525  100.000   97.619
LGA    S    93_B      S    93_C     0.412     0    0.020   0.128     0.674  100.000   98.413
LGA    K    94_B      K    94_C     0.251     0    0.022   0.362     1.777  100.000   93.968
LGA    A    95_B      A    95_C     0.263     0    0.016   0.035     0.307  100.000  100.000
LGA    G    96_B      G    96_C     0.341     0    0.067   0.067     0.554   97.619   97.619
LGA    P    97_B      P    97_C     0.235     0    0.055   0.067     0.387  100.000  100.000
LGA    H    98_B      H    98_C     0.380     0    0.057   1.145     3.155   97.619   86.952
LGA    A    99_B      A    99_C     0.106     0    0.037   0.049     0.345  100.000  100.000
LGA    I   100_B      I   100_C     0.264     0    0.038   1.191     2.754  100.000   84.643
LGA    L   101_B      L   101_C     0.133     0    0.015   0.060     0.227  100.000  100.000
LGA    V   102_B      V   102_C     0.161     0    0.009   0.024     0.323  100.000  100.000
LGA    S   103_B      S   103_C     0.112     0    0.043   0.072     0.269  100.000  100.000
LGA    L   104_B      L   104_C     0.589     0    0.011   0.099     1.252   92.857   90.536
LGA    V   105_B      V   105_C     0.974     0    0.104   1.181     2.754   88.214   79.456
LGA    D   106_B      D   106_C     1.123     0    0.038   0.923     2.736   81.548   75.298
LGA    K   107_B      K   107_C     1.684     0    0.066   1.004     7.915   75.000   54.603
LGA    D   108_B      D   108_C     1.840     0    0.080   0.108     2.177   72.857   69.821
LGA    A   109_B      A   109_C     1.429     0    0.089   0.107     1.590   81.548   81.524
LGA    K   110_B      K   110_C     1.125     0    0.114   1.408     7.297   79.286   61.958
LGA    L   111_B      L   111_C     0.545     0    0.086   1.362     3.508   95.238   81.548
LGA    G   112_B      G   112_C     0.654     0    0.064   0.064     0.850   90.476   90.476
LGA    I   113_B      I   113_C     0.582     0    0.010   0.046     0.726   90.476   90.476
LGA    I   114_B      I   114_C     0.595     0    0.034   0.633     1.889   90.476   88.333
LGA    L   115_B      L   115_C     0.551     0    0.045   0.082     0.908   95.238   92.857
LGA    M   116_B      M   116_C     0.307     0    0.060   0.985     3.029  100.000   84.940
LGA    L   117_B      L   117_C     0.418     0    0.060   0.132     0.708  100.000   96.429
LGA    I   118_B      I   118_C     0.421     0    0.071   0.094     0.514  100.000   98.810
LGA    D   119_B      D   119_C     0.319     0    0.078   0.240     0.724   97.619   95.238
LGA    K   120_B      K   120_C     0.263     0    0.033   0.451     1.795  100.000   94.868
LGA    A   121_B      A   121_C     0.233     0    0.047   0.053     0.263  100.000  100.000
LGA    I   122_B      I   122_C     0.387     0    0.030   0.066     0.582   97.619   97.619
LGA    K   123_B      K   123_C     0.415     0    0.038   0.968     4.651   97.619   83.333
LGA    Q   124_B      Q   124_C     0.316     0    0.013   0.898     2.309  100.000   93.069
LGA    I   125_B      I   125_C     0.327     0    0.026   0.030     0.429  100.000  100.000
LGA    A   126_B      A   126_C     0.454     0    0.042   0.050     0.685   95.238   96.190
LGA    E   127_B      E   127_C     0.579     0    0.038   0.077     1.068   95.238   91.587
LGA    L   128_B      L   128_C     0.457     0    0.057   1.079     2.356   95.238   88.810
LGA    M   129_B      M   129_C     0.630     0    0.039   0.090     0.809   90.476   90.476
LGA    D   130_B      D   130_C     0.754     0    0.638   0.909     4.548   88.452   73.571
LGA    A   131_B      A   131_C     3.560     0    0.479   0.498     5.698   39.524   35.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.829          0.864                  1.480           92.934   87.864

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.83    96.074    98.358    13.020

LGA_LOCAL      RMSD:   0.829  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.829  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.829  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.660036 * X  +  -0.550419 * Y  +   0.511265 * Z  +  21.483200
  Y_new =   0.162455 * X  +  -0.769042 * Y  +  -0.618209 * Z  +  -5.631598
  Z_new =   0.733458 * X  +  -0.324983 * Y  +   0.597014 * Z  +  24.338362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.900259 -0.823395 -0.498492   [DEG:  166.1726  -47.1771  -28.5615 ]
ZXZ:  0.690995  0.931023  1.987883   [DEG:   39.5911   53.3437  113.8973 ]
 
# END of job
