
#######################################################
#                                                     #
#                        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       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      76_C - 125_C       0.98     1.68
  LCS_AVERAGE:     31.72

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     32  121  121      0    4   43  107  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     35  121  121     10   46  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     35  121  121      3   73  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     35  121  121     15   75  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     35  121  121     10   53  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     35  121  121     19   72  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     35  121  121     16   75  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     35  121  121     22   77  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     35  121  121     25   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     35  121  121     12   75  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     35  121  121     25   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     35  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     35  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     35  121  121      9   44  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     35  121  121      4   46   88  108  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     35  121  121     28   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     35  121  121     28   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     35  121  121     24   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     35  121  121     12   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     35  121  121     20   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     35  121  121     26   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     35  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     35  121  121      3   63  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     20  121  121      3    4    5   61  105  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C      4  121  121      3    4   31   61  107  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C      4  121  121      3    4    5    5    7   18   24   28   63   84  108  119  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C      3  121  121      3    3    3    4    5   29   50   98  118  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     24  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     24  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     24  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     24  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     24  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     24  121  121     30   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     24  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     24  121  121      7   46  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     24  121  121      7   29   97  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     24  121  121      7   66  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     24  121  121      3   43   98  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     24  121  121      3   74  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     24  121  121      3    3   15   22   88  112  117  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     50  121  121     10   77  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     50  121  121      4   70  100  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     50  121  121     21   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     50  121  121      5   49   92  108  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     50  121  121     28   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     50  121  121     19   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     50  121  121     25   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     50  121  121      4   27   72  108  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     50  121  121     33   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     50  121  121     24   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     50  121  121     19   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     50  121  121      7   37   83  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     50  121  121     23   73  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     50  121  121     34   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     50  121  121     21   58  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     50  121  121      8   62  100  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     50  121  121     20   77  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     50  121  121     29   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     50  121  121     25   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     50  121  121     26   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     50  121  121     30   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     50  121  121     29   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     50  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     50  121  121     27   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     50  121  121     29   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     50  121  121     31   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     50  121  121     29   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     50  121  121     20   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     50  121  121     10   77  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     50  121  121     10   77  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     50  121  121     10   75  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     49  121  121     10   26   98  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     46  121  121      4    6   44  108  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     46  121  121      4    6  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     46  121  121     24   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     46  121  121     10   78  101  109  115  117  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     23  121  121      0   13   27   75  106  116  118  119  119  119  120  120  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  77.24  (  31.72  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     34     78    101    109    115    117    118    119    119    119    120    120    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  28.10  64.46  83.47  90.08  95.04  96.69  97.52  98.35  98.35  98.35  99.17  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.64   0.85   0.96   1.08   1.18   1.21   1.27   1.27   1.27   1.41   1.41   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62
GDT RMS_ALL_AT   1.86   1.66   1.64   1.64   1.65   1.64   1.64   1.64   1.64   1.64   1.63   1.63   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62

# Checking swapping
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     2.758     0    0.559   1.282     5.851   69.048   48.667
LGA    T    12_B      T    12_C     1.769     0    0.068   1.222     4.113   75.000   67.823
LGA    D    13_B      D    13_C     1.166     0    0.073   1.189     5.083   81.429   69.583
LGA    K    14_B      K    14_C     1.207     0    0.024   0.638     3.257   81.429   76.984
LGA    L    15_B      L    15_C     1.551     0    0.025   0.210     2.243   79.286   74.048
LGA    W    16_B      W    16_C     1.238     0    0.041   1.213     7.245   83.690   53.095
LGA    Y    17_B      Y    17_C     1.190     0    0.040   0.167     2.697   81.429   73.095
LGA    I    18_B      I    18_C     0.893     0    0.015   0.083     1.067   88.214   88.214
LGA    L    19_B      L    19_C     0.630     0    0.016   0.237     0.989   90.476   92.857
LGA    Q    20_B      Q    20_C     1.077     0    0.058   1.041     3.321   85.952   72.593
LGA    E    21_B      E    21_C     0.685     0    0.018   1.132     3.875   95.238   79.683
LGA    L    22_B      L    22_C     0.296     0    0.044   0.170     0.549   97.619   98.810
LGA    T    23_B      T    23_C     0.638     0    0.074   1.103     3.027   88.214   78.639
LGA    S    24_B      S    24_C     0.744     0    0.027   0.631     2.167   90.476   86.190
LGA    N    25_B      N    25_C     0.674     0    0.016   0.172     1.443   85.952   91.786
LGA    R    26_B      R    26_C     1.647     0    0.094   1.402    10.541   75.000   44.589
LGA    G    27_B      G    27_C     2.366     0    0.667   0.667     4.151   59.881   59.881
LGA    D    28_B      D    28_C     1.052     0    0.019   1.215     5.590   81.548   63.393
LGA    I    29_B      I    29_C     0.893     0    0.100   0.693     3.477   90.476   84.286
LGA    Q    30_B      Q    30_C     0.837     0    0.195   0.975     5.714   86.071   65.397
LGA    G    31_B      G    31_C     1.033     0    0.100   0.100     1.033   92.976   92.976
LGA    C    32_B      C    32_C     0.451     0    0.090   0.605     1.721   95.238   90.714
LGA    T    33_B      T    33_C     0.618     0    0.074   1.132     2.570   90.476   81.905
LGA    I    34_B      I    34_C     0.832     0    0.064   0.104     0.944   90.476   90.476
LGA    V    35_B      V    35_C     0.698     0    0.013   0.262     0.901   90.476   90.476
LGA    T    36_B      T    36_C     0.829     0    0.084   0.130     1.647   92.857   88.027
LGA    T    37_B      T    37_C     1.142     0    0.051   0.095     2.124   83.690   76.735
LGA    Q    38_B      Q    38_C     0.923     0    0.017   1.094     4.948   95.238   79.206
LGA    G    39_B      G    39_C     0.189     0    0.021   0.021     0.686   95.238   95.238
LGA    L    40_B      L    40_C     0.748     0    0.041   0.050     1.250   90.476   85.952
LGA    P    41_B      P    41_C     0.552     0    0.026   0.114     0.866   90.476   90.476
LGA    I    42_B      I    42_C     0.666     0    0.066   0.682     2.379   88.214   87.321
LGA    T    43_B      T    43_C     0.942     0    0.027   0.151     1.874   92.857   86.735
LGA    S    44_B      S    44_C     0.552     0    0.052   0.596     1.948   90.476   87.540
LGA    L    45_B      L    45_C     0.551     0    0.217   0.904     1.862   92.857   87.262
LGA    L    46_B      L    46_C     1.566     0    0.703   0.662     7.732   77.381   49.345
LGA    A    47_B      A    47_C     3.590     0    0.070   0.069     5.612   50.357   44.571
LGA    D    48_B      D    48_C     3.726     0    0.677   1.165     7.039   34.762   28.393
LGA    D    49_B      D    49_C     9.167     0    0.106   1.392    14.209    4.762    2.381
LGA    A    50_B      A    50_C     7.011     0    0.593   0.595     8.179   22.143   18.667
LGA    N    51_B      N    51_C     0.885     0    0.596   0.618     7.089   82.143   55.774
LGA    V    52_B      V    52_C     1.142     0    0.027   0.157     1.948   83.690   81.497
LGA    S    53_B      S    53_C     1.036     0    0.033   0.637     3.502   85.952   78.095
LGA    L    54_B      L    54_C     0.801     0    0.020   1.401     4.045   90.476   74.583
LGA    I    55_B      I    55_C     0.552     0    0.002   0.085     1.167   95.238   91.726
LGA    S    56_B      S    56_C     0.408     0    0.041   0.592     1.543  100.000   93.889
LGA    A    57_B      A    57_C     0.351     0    0.019   0.026     0.582  100.000   98.095
LGA    M    58_B      M    58_C     0.560     0    0.025   0.804     3.780   92.857   79.881
LGA    S    59_B      S    59_C     0.530     0    0.039   0.631     1.875   90.476   87.540
LGA    A    60_B      A    60_C     0.764     0    0.013   0.018     0.915   90.476   90.476
LGA    A    61_B      A    61_C     0.670     0    0.018   0.037     0.834   90.476   90.476
LGA    I    62_B      I    62_C     0.724     0    0.031   0.169     0.903   90.476   90.476
LGA    I    63_B      I    63_C     0.809     0    0.043   0.099     1.009   90.476   89.345
LGA    S    64_B      S    64_C     0.985     0    0.057   0.133     1.064   90.476   88.968
LGA    V    65_B      V    65_C     0.718     0    0.017   0.029     1.076   92.857   90.544
LGA    A    66_B      A    66_C     0.641     0    0.054   0.088     0.822   92.857   92.381
LGA    E    67_B      E    67_C     0.520     0    0.017   1.114     3.841   95.238   79.683
LGA    S    68_B      S    68_C     0.204     0    0.035   0.695     2.717   97.619   91.270
LGA    A    69_B      A    69_C     0.142     0    0.027   0.030     0.573   97.619   98.095
LGA    S    70_B      S    70_C     1.391     0    0.037   0.057     2.135   77.381   74.524
LGA    Q    71_B      Q    71_C     1.976     0    0.049   0.841     3.649   66.905   64.233
LGA    E    72_B      E    72_C     1.774     0    0.041   0.855     5.103   70.833   59.524
LGA    L    73_B      L    73_C     1.929     0    0.170   0.335     2.621   70.833   65.893
LGA    Q    74_B      Q    74_C     1.391     0    0.640   0.521     9.794   66.190   38.519
LGA    R    75_B      R    75_C     4.350     0    0.156   1.136     9.642   42.857   19.957
LGA    G    76_B      G    76_C     0.806     0    0.055   0.055     1.333   85.952   85.952
LGA    Y    77_B      Y    77_C     1.422     0    0.011   0.100     3.803   81.429   64.802
LGA    L    78_B      L    78_C     1.135     0    0.090   0.157     2.091   75.119   79.405
LGA    Q    79_B      Q    79_C     2.285     0    0.116   0.196     4.959   70.833   55.132
LGA    R    80_B      R    80_C     1.184     0    0.061   0.990     5.594   79.286   65.541
LGA    I    81_B      I    81_C     1.081     0    0.015   0.202     1.790   81.429   80.357
LGA    L    82_B      L    82_C     1.302     0    0.028   0.862     2.454   79.286   75.119
LGA    L    83_B      L    83_C     1.255     0    0.030   1.084     5.116   83.690   67.798
LGA    E    84_B      E    84_C     1.090     0    0.050   0.793     4.774   79.286   64.497
LGA    G    85_B      G    85_C     1.282     0    0.052   0.052     1.282   85.952   85.952
LGA    E    86_B      E    86_C     1.195     0    0.169   0.799     4.856   83.690   63.862
LGA    L    87_B      L    87_C     2.425     0    0.064   0.123     6.439   68.810   47.738
LGA    G    88_B      G    88_C     0.606     0    0.053   0.053     1.029   88.214   88.214
LGA    T    89_B      T    89_C     0.317     0    0.035   0.087     0.479  100.000  100.000
LGA    I    90_B      I    90_C     0.464     0    0.010   0.093     0.589   92.857   95.238
LGA    I    91_B      I    91_C     0.525     0    0.026   0.114     0.551   92.857   96.429
LGA    I    92_B      I    92_C     0.489     0    0.082   0.487     1.545   92.857   93.036
LGA    S    93_B      S    93_C     0.913     0    0.106   0.530     1.253   90.476   87.460
LGA    K    94_B      K    94_C     0.933     0    0.043   0.621     3.952   90.476   71.534
LGA    A    95_B      A    95_C     0.701     0    0.306   0.289     1.196   88.214   86.857
LGA    G    96_B      G    96_C     0.488     0    0.028   0.028     0.683   97.619   97.619
LGA    P    97_B      P    97_C     0.769     0    0.609   0.520     2.452   86.429   85.578
LGA    H    98_B      H    98_C     2.523     0    0.114   1.158     5.922   64.881   51.048
LGA    A    99_B      A    99_C     1.504     0    0.038   0.052     1.811   77.143   76.286
LGA    I   100_B      I   100_C     0.836     0    0.062   0.161     1.225   88.214   88.214
LGA    L   101_B      L   101_C     0.726     0    0.042   0.111     0.809   90.476   91.667
LGA    V   102_B      V   102_C     0.408     0    0.037   0.110     0.566   97.619   97.279
LGA    S   103_B      S   103_C     0.266     0    0.023   0.120     0.586  100.000   98.413
LGA    L   104_B      L   104_C     0.219     0    0.032   0.440     2.173  100.000   92.083
LGA    V   105_B      V   105_C     0.649     0    0.025   0.086     0.726   92.857   91.837
LGA    D   106_B      D   106_C     0.561     0    0.018   0.114     2.244   88.214   79.583
LGA    K   107_B      K   107_C     1.508     0    0.062   0.791     3.802   75.238   67.090
LGA    D   108_B      D   108_C     2.016     0    0.222   0.331     3.561   72.976   61.548
LGA    A   109_B      A   109_C     1.127     0    0.141   0.168     1.447   83.690   83.238
LGA    K   110_B      K   110_C     0.517     0    0.049   0.575     2.397   95.238   89.788
LGA    L   111_B      L   111_C     0.195     0    0.039   0.082     0.471  100.000  100.000
LGA    G   112_B      G   112_C     0.252     0    0.037   0.037     0.256  100.000  100.000
LGA    I   113_B      I   113_C     0.573     0    0.020   0.102     1.316   95.238   89.464
LGA    I   114_B      I   114_C     0.692     0    0.057   0.123     1.488   92.857   88.274
LGA    L   115_B      L   115_C     0.397     0    0.112   1.373     4.219  100.000   80.238
LGA    M   116_B      M   116_C     0.489     0    0.102   1.051     2.895  100.000   84.643
LGA    L   117_B      L   117_C     0.494     0    0.043   0.111     0.647   95.238   95.238
LGA    I   118_B      I   118_C     0.536     0    0.092   0.098     0.864   95.238   92.857
LGA    D   119_B      D   119_C     0.392     0    0.039   0.159     0.726  100.000   96.429
LGA    K   120_B      K   120_C     0.326     0    0.033   0.854     5.030   97.619   73.598
LGA    A   121_B      A   121_C     0.322     0    0.048   0.052     0.647   97.619   98.095
LGA    I   122_B      I   122_C     0.791     0    0.064   1.294     3.694   88.214   78.988
LGA    K   123_B      K   123_C     1.133     0    0.068   0.740     4.202   81.548   69.841
LGA    Q   124_B      Q   124_C     1.026     0    0.055   1.002     3.811   83.690   76.561
LGA    I   125_B      I   125_C     1.119     0    0.072   0.096     1.453   81.429   82.560
LGA    A   126_B      A   126_C     1.981     0    0.059   0.061     2.693   75.000   71.429
LGA    E   127_B      E   127_C     2.144     0    0.088   0.184     4.556   68.810   55.608
LGA    L   128_B      L   128_C     1.414     0    0.060   0.171     1.620   79.286   78.214
LGA    M   129_B      M   129_C     0.922     0    0.036   0.130     1.796   88.214   83.750
LGA    D   130_B      D   130_C     0.974     0    0.555   0.859     2.325   83.810   79.583
LGA    A   131_B      A   131_C     3.219     0    0.153   0.211     4.615   46.905   43.810

# 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):     1.623          1.581                  2.512           84.498   77.809

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    119    1.27    88.223    94.295     8.682

LGA_LOCAL      RMSD:   1.271  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.640  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.623  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.928094 * X  +   0.366455 * Y  +   0.065968 * Z  +  34.336430
  Y_new =   0.008481 * X  +  -0.156316 * Y  +   0.987671 * Z  + -21.374821
  Z_new =   0.372249 * X  +   0.917211 * Y  +   0.141968 * Z  +  -8.057627 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.132454 -0.381431  1.417233   [DEG:  179.4764  -21.8544   81.2014 ]
ZXZ:  3.074900  1.428347  0.385538   [DEG:  176.1788   81.8382   22.0897 ]
 
# END of job
