
#######################################################
#                                                     #
#                        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       1.18     1.18
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.18     1.18
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81      50_C - 130_C       0.98     1.20
  LCS_AVERAGE:     60.43

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     37  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     28   91  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     28   87  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     22   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     33   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121     14   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121     36   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121     16   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     37  121  121      3   37  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     37  121  121      3   86  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     37  121  121      3   12   33   97  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     77  121  121      3   20  102  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     77  121  121     15   92  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     77  121  121     10   92  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     77  121  121     22   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     77  121  121     36   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     77  121  121     13   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     77  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     77  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     77  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     77  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     77  121  121     15   92  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     77  121  121      3   40  101  113  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C     77  121  121      3    3   48   77  114  118  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C     77  121  121      3    3   30   92  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C     81  121  121      3    4   79  102  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     81  121  121     36   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     81  121  121     36   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     81  121  121     26   89  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     81  121  121     15   57  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     81  121  121     16   86  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     81  121  121     20   81  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     81  121  121     20   75  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     81  121  121     19   53  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     81  121  121     15   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     81  121  121     31   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     81  121  121     30   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     81  121  121     28   92  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     81  121  121     33   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     81  121  121     33   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     81  121  121     36   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     81  121  121     24   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     81  121  121     32   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     81  121  121     10   86  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     81  121  121     10   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     81  121  121     34   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     81  121  121     30   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     81  121  121     28   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     81  121  121     20   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     81  121  121      3   28   69  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     81  121  121      3    5   24   46  109  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     81  121  121      3   10   66  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     81  121  121     15   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     81  121  121     34   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     81  121  121      9   92  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     81  121  121     26   89  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     81  121  121     37   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     81  121  121     39   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     81  121  121     35   93  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     81  121  121     27   84  110  114  116  119  120  120  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C      3  121  121      0    4    4    7   54   88  114  119  120  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  86.81  (  60.43  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     39     93    110    114    116    119    120    120    120    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  32.23  76.86  90.91  94.21  95.87  98.35  99.17  99.17  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.61   0.77   0.85   0.90   1.03   1.08   1.08   1.08   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18
GDT RMS_ALL_AT   1.21   1.20   1.19   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18

# Checking swapping
#   possible swapping detected:  D    13_B      D    13_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    48_B      D    48_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  D   108_B      D   108_C
#   possible swapping detected:  D   119_B      D   119_C
#   possible swapping detected:  E   127_B      E   127_C
#   possible swapping detected:  D   130_B      D   130_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.902     0    0.171   1.112     6.122   86.071   62.048
LGA    T    12_B      T    12_C     1.106     0    0.038   1.186     2.775   81.429   76.735
LGA    D    13_B      D    13_C     1.260     0    0.021   1.223     3.752   83.690   75.655
LGA    K    14_B      K    14_C     0.780     0    0.027   1.128     7.667   90.476   63.439
LGA    L    15_B      L    15_C     0.604     0    0.042   1.432     3.250   92.857   78.333
LGA    W    16_B      W    16_C     0.809     0    0.092   1.257     6.945   92.857   55.340
LGA    Y    17_B      Y    17_C     0.493     0    0.055   1.317     9.613   97.619   55.119
LGA    I    18_B      I    18_C     0.357     0    0.029   0.060     0.859  100.000   96.429
LGA    L    19_B      L    19_C     0.649     0    0.051   0.246     1.629   92.857   88.333
LGA    Q    20_B      Q    20_C     0.913     0    0.064   0.586     4.701   90.476   70.317
LGA    E    21_B      E    21_C     0.621     0    0.052   0.977     3.628   90.476   74.127
LGA    L    22_B      L    22_C     0.586     0    0.049   1.394     3.449   92.857   80.238
LGA    T    23_B      T    23_C     0.399     0    0.088   1.047     2.764  100.000   90.000
LGA    S    24_B      S    24_C     0.207     0    0.082   0.120     0.782   97.619   96.825
LGA    N    25_B      N    25_C     0.898     0    0.169   0.256     1.209   88.214   85.952
LGA    R    26_B      R    26_C     1.578     0    0.576   1.554    10.937   71.429   41.082
LGA    G    27_B      G    27_C     1.249     0    0.580   0.580     2.994   71.071   71.071
LGA    D    28_B      D    28_C     3.031     0    0.057   0.321     5.304   51.071   45.119
LGA    I    29_B      I    29_C     1.857     0    0.550   1.023     3.865   63.452   59.464
LGA    Q    30_B      Q    30_C     1.325     0    0.106   1.102     5.783   81.429   62.116
LGA    G    31_B      G    31_C     1.265     0    0.121   0.121     1.265   85.952   85.952
LGA    C    32_B      C    32_C     0.714     0    0.139   0.782     2.002   90.595   84.762
LGA    T    33_B      T    33_C     0.377     0    0.120   1.158     2.994   92.976   85.850
LGA    I    34_B      I    34_C     0.743     0    0.068   0.087     1.331   90.476   89.345
LGA    V    35_B      V    35_C     0.986     0    0.049   0.078     1.288   90.476   86.599
LGA    T    36_B      T    36_C     0.575     0    0.149   1.108     3.606   86.071   77.551
LGA    T    37_B      T    37_C     0.613     0    0.165   1.084     3.317   88.214   79.728
LGA    Q    38_B      Q    38_C     0.785     0    0.344   1.118     5.227   88.214   66.931
LGA    G    39_B      G    39_C     0.476     0    0.146   0.146     1.089   92.976   92.976
LGA    L    40_B      L    40_C     0.558     0    0.043   0.045     1.777   92.857   86.071
LGA    P    41_B      P    41_C     0.405     0    0.080   0.079     0.487  100.000  100.000
LGA    I    42_B      I    42_C     0.493     0    0.264   1.356     2.841   86.548   82.083
LGA    T    43_B      T    43_C     0.611     0    0.066   1.015     2.216   90.476   83.129
LGA    S    44_B      S    44_C     0.453     0    0.034   0.577     3.166   90.595   82.302
LGA    L    45_B      L    45_C     0.573     0    0.145   0.881     4.677   92.857   75.060
LGA    L    46_B      L    46_C     1.183     0    0.127   0.192     2.734   79.286   73.095
LGA    A    47_B      A    47_C     2.153     0    0.096   0.118     4.146   56.190   54.952
LGA    D    48_B      D    48_C     3.532     0    0.631   0.549     5.913   39.524   44.821
LGA    D    49_B      D    49_C     2.899     0    0.608   1.379     6.484   71.310   48.988
LGA    A    50_B      A    50_C     2.790     0    0.068   0.072     4.900   57.262   52.095
LGA    N    51_B      N    51_C     0.488     0    0.156   1.011     3.957   90.595   76.131
LGA    V    52_B      V    52_C     0.642     0    0.040   0.157     0.968   90.476   90.476
LGA    S    53_B      S    53_C     0.791     0    0.051   0.674     1.836   90.476   87.540
LGA    L    54_B      L    54_C     0.749     0    0.028   0.090     0.804   90.476   90.476
LGA    I    55_B      I    55_C     0.552     0    0.012   0.084     0.632   90.476   94.048
LGA    S    56_B      S    56_C     0.611     0    0.036   0.641     2.773   92.857   86.508
LGA    A    57_B      A    57_C     0.839     0    0.023   0.024     1.104   90.476   88.667
LGA    M    58_B      M    58_C     0.698     0    0.040   1.208     5.943   95.238   71.131
LGA    S    59_B      S    59_C     0.161     0    0.026   0.658     2.327  100.000   94.127
LGA    A    60_B      A    60_C     0.320     0    0.025   0.024     0.512  100.000   98.095
LGA    A    61_B      A    61_C     0.577     0    0.049   0.052     0.775   97.619   96.190
LGA    I    62_B      I    62_C     0.484     0    0.033   0.062     0.656  100.000   95.238
LGA    I    63_B      I    63_C     0.348     0    0.037   0.146     0.678  100.000   97.619
LGA    S    64_B      S    64_C     0.272     0    0.073   0.648     2.524  100.000   92.857
LGA    V    65_B      V    65_C     0.543     0    0.037   0.038     0.971   97.619   94.558
LGA    A    66_B      A    66_C     0.507     0    0.070   0.072     0.794   95.238   94.286
LGA    E    67_B      E    67_C     0.483     0    0.022   0.744     4.276   97.619   77.989
LGA    S    68_B      S    68_C     0.378     0    0.044   0.535     2.043  100.000   94.127
LGA    A    69_B      A    69_C     0.247     0    0.057   0.052     0.601  100.000   98.095
LGA    S    70_B      S    70_C     1.207     0    0.032   0.686     1.491   83.690   82.937
LGA    Q    71_B      Q    71_C     1.458     0    0.032   1.362     3.671   81.429   74.392
LGA    E    72_B      E    72_C     0.456     0    0.062   0.860     4.678   97.619   75.661
LGA    L    73_B      L    73_C     1.280     0    0.319   0.479     2.852   75.476   69.226
LGA    Q    74_B      Q    74_C     1.581     0    0.601   1.197     7.595   64.048   49.206
LGA    R    75_B      R    75_C     1.598     0    0.144   1.434     8.533   66.905   43.766
LGA    G    76_B      G    76_C     1.745     0    0.551   0.551     3.224   67.143   67.143
LGA    Y    77_B      Y    77_C     0.906     0    0.094   0.227     3.649   90.476   71.111
LGA    L    78_B      L    78_C     0.719     0    0.089   0.116     1.399   90.476   89.345
LGA    Q    79_B      Q    79_C     0.858     0    0.053   0.718     3.613   92.857   81.323
LGA    R    80_B      R    80_C     0.361     0    0.062   1.013     6.193  100.000   69.567
LGA    I    81_B      I    81_C     0.182     0    0.057   0.686     2.948  100.000   93.452
LGA    L    82_B      L    82_C     0.319     0    0.073   0.207     0.639  100.000   96.429
LGA    L    83_B      L    83_C     0.604     0    0.076   0.834     2.588   97.619   87.619
LGA    E    84_B      E    84_C     0.397     0    0.093   0.706     3.454   92.976   75.185
LGA    G    85_B      G    85_C     0.277     0    0.037   0.037     1.228   92.976   92.976
LGA    E    86_B      E    86_C     1.253     0    0.119   0.748     3.563   85.952   76.455
LGA    L    87_B      L    87_C     0.834     0    0.463   1.089     5.683   95.238   66.964
LGA    G    88_B      G    88_C     0.131     0    0.058   0.058     1.130   92.976   92.976
LGA    T    89_B      T    89_C     0.048     0    0.071   0.089     0.592  100.000   98.639
LGA    I    90_B      I    90_C     0.681     0    0.050   0.108     0.746   92.857   91.667
LGA    I    91_B      I    91_C     0.501     0    0.060   0.106     0.944   95.238   92.857
LGA    I    92_B      I    92_C     0.621     0    0.141   0.177     1.392   90.595   88.274
LGA    S    93_B      S    93_C     0.518     0    0.093   0.730     3.027   90.476   83.730
LGA    K    94_B      K    94_C     0.682     0    0.076   0.626     3.118   95.238   76.984
LGA    A    95_B      A    95_C     0.241     0    0.496   0.464     1.901   93.214   92.667
LGA    G    96_B      G    96_C     0.671     0    0.060   0.060     1.017   88.214   88.214
LGA    P    97_B      P    97_C     0.985     0    0.087   0.394     2.011   85.952   82.925
LGA    H    98_B      H    98_C     0.935     0    0.178   1.310     6.852   77.381   55.905
LGA    A    99_B      A    99_C     1.336     0    0.065   0.062     1.475   83.690   83.238
LGA    I   100_B      I   100_C     1.004     0    0.027   0.678     1.948   83.690   78.274
LGA    L   101_B      L   101_C     0.430     0    0.085   0.983     2.539   95.238   86.429
LGA    V   102_B      V   102_C     0.596     0    0.131   0.120     0.785   92.857   91.837
LGA    S   103_B      S   103_C     0.611     0    0.170   0.215     1.249   90.595   87.540
LGA    L   104_B      L   104_C     0.749     0    0.047   0.099     1.306   88.214   88.214
LGA    V   105_B      V   105_C     1.014     0    0.183   1.280     2.912   90.595   80.816
LGA    D   106_B      D   106_C     1.154     0    0.068   0.225     4.542   72.976   60.179
LGA    K   107_B      K   107_C     2.236     0    0.039   1.306     4.981   61.190   57.090
LGA    D   108_B      D   108_C     3.828     0    0.243   0.325     5.793   50.119   38.214
LGA    A   109_B      A   109_C     2.261     0    0.142   0.202     2.833   64.881   64.857
LGA    K   110_B      K   110_C     0.989     0    0.173   1.523     6.987   88.214   66.667
LGA    L   111_B      L   111_C     0.679     0    0.066   0.087     0.900   90.476   91.667
LGA    G   112_B      G   112_C     0.773     0    0.048   0.048     0.773   90.476   90.476
LGA    I   113_B      I   113_C     1.168     0    0.047   0.113     1.756   83.690   80.417
LGA    I   114_B      I   114_C     1.201     0    0.056   0.134     2.079   85.952   80.536
LGA    L   115_B      L   115_C     0.491     0    0.064   0.081     0.702   95.238   97.619
LGA    M   116_B      M   116_C     0.534     0    0.042   1.230     3.696   92.857   78.393
LGA    L   117_B      L   117_C     0.598     0    0.033   0.154     0.930   92.857   91.667
LGA    I   118_B      I   118_C     0.605     0    0.038   0.094     0.999   95.238   92.857
LGA    D   119_B      D   119_C     0.459     0    0.029   1.012     3.463   97.619   83.571
LGA    K   120_B      K   120_C     0.437     0    0.047   0.274     1.266  100.000   93.704
LGA    A   121_B      A   121_C     0.266     0    0.032   0.029     0.471  100.000  100.000
LGA    I   122_B      I   122_C     0.499     0    0.057   1.526     3.791   95.238   79.702
LGA    K   123_B      K   123_C     0.674     0    0.065   0.984     5.936   90.476   73.810
LGA    Q   124_B      Q   124_C     0.357     0    0.074   0.752     2.386   97.619   91.905
LGA    I   125_B      I   125_C     0.528     0    0.069   0.135     0.875   95.238   94.048
LGA    A   126_B      A   126_C     0.743     0    0.020   0.021     0.872   90.476   90.476
LGA    E   127_B      E   127_C     0.646     0    0.030   0.149     1.146   90.476   89.471
LGA    L   128_B      L   128_C     0.676     0    0.070   0.916     3.178   90.476   82.083
LGA    M   129_B      M   129_C     0.670     0    0.123   1.099     3.539   88.214   79.286
LGA    D   130_B      D   130_C     1.371     0    0.614   0.879     2.622   83.810   76.429
LGA    A   131_B      A   131_C     5.398     0    0.160   0.205     7.396   22.500   20.000

# 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):     1.179          1.293                  2.230           87.654   79.564

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    120    1.08    92.562    96.585    10.167

LGA_LOCAL      RMSD:   1.080  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.182  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.179  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.000169 * X  +  -0.889910 * Y  +  -0.456136 * Z  +  20.777786
  Y_new =   0.999595 * X  +   0.012837 * Y  +  -0.025413 * Z  + -47.058231
  Z_new =   0.028471 * X  +  -0.455956 * Y  +   0.889547 * Z  +  11.179029 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.570965 -0.028475 -0.473654   [DEG:   90.0097   -1.6315  -27.1383 ]
ZXZ: -1.515139  0.474444  3.079231   [DEG:  -86.8111   27.1836  176.4270 ]
 
# END of job
