
#######################################################
#                                                     #
#                        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       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.84     0.84
  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     46  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     71  103  116  119  119  120  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     64  103  116  119  119  120  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     73  103  116  119  119  120  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     24   90  110  119  119  120  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      3    4    4   18  101  120  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     52  103  116  119  119  120  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   82  116  119  119  120  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     48  103  116  119  119  120  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     67  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     72  103  116  119  119  120  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  103  116  119  119  120  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     69  103  116  119  119  120  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  103  116  119  119  120  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     72  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     60  103  116  119  119  120  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     11  103  116  119  119  120  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     11  103  116  119  119  120  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  103  116  119  119  120  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     46   99  112  119  119  120  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     52  103  116  119  119  120  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     46  103  116  119  119  120  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  103  116  119  119  120  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     69  103  116  119  119  120  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     46  103  116  119  119  120  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     62  103  116  119  119  120  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     69  103  116  119  119  120  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     62  103  116  119  119  120  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     69  103  116  119  119  120  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     69  103  116  119  119  120  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     71  103  116  119  119  120  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     69  103  116  119  119  120  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     72  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     43  103  116  119  119  120  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     64  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     73  103  116  119  119  120  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     37  103  116  119  119  120  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  103  116  119  119  120  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     73  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     30  102  116  119  119  120  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     10   99  116  119  119  120  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     10   87  116  119  119  120  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     15   91  116  119  119  120  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     54  102  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     71  103  116  119  119  120  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     54  102  116  119  119  120  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     40  102  116  119  119  120  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     34   91  116  119  119  120  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      6   83  115  119  119  120  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     40   94  116  119  119  120  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     54  102  116  119  119  120  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     72  103  116  119  119  120  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     73  103  116  119  119  120  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     73  103  116  119  119  120  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     73  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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  103  116  119  119  120  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     73  103  116  119  119  120  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  103  116  119  119  120  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     73  103  116  119  119  120  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     73  103  116  119  119  120  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   64   87  111  120  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    103    116    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  60.33  85.12  95.87  98.35  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.47   0.65   0.71   0.71   0.77   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84
GDT RMS_ALL_AT   0.86   0.88   0.85   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_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     0.724     0    0.198   1.169     5.344   92.857   69.048
LGA    T    12_B      T    12_C     0.309     0    0.033   1.126     2.665  100.000   87.755
LGA    D    13_B      D    13_C     0.169     0    0.047   1.186     4.449  100.000   83.333
LGA    K    14_B      K    14_C     0.088     0    0.021   0.568     3.107  100.000   89.365
LGA    L    15_B      L    15_C     0.155     0    0.034   0.112     0.382  100.000  100.000
LGA    W    16_B      W    16_C     0.302     0    0.062   0.135     1.218  100.000   92.585
LGA    Y    17_B      Y    17_C     0.232     0    0.028   0.201     1.347  100.000   93.016
LGA    I    18_B      I    18_C     0.256     0    0.017   0.057     0.315  100.000  100.000
LGA    L    19_B      L    19_C     0.275     0    0.030   0.047     0.421  100.000  100.000
LGA    Q    20_B      Q    20_C     0.339     0    0.036   1.377     4.429  100.000   79.577
LGA    E    21_B      E    21_C     0.481     0    0.011   1.025     5.176  100.000   74.127
LGA    L    22_B      L    22_C     0.692     0    0.018   1.376     3.149   90.476   81.071
LGA    T    23_B      T    23_C     0.645     0    0.047   0.076     0.828   90.476   90.476
LGA    S    24_B      S    24_C     0.547     0    0.063   0.098     1.703   92.857   87.619
LGA    N    25_B      N    25_C     1.957     0    0.453   0.910     6.691   67.262   49.643
LGA    R    26_B      R    26_C     3.253     0    0.583   1.342     8.102   52.262   31.688
LGA    G    27_B      G    27_C     1.009     0    0.104   0.104     1.237   83.690   83.690
LGA    D    28_B      D    28_C     1.519     0    0.174   0.940     2.617   81.548   73.274
LGA    I    29_B      I    29_C     0.723     0    0.052   0.075     1.176   88.214   88.214
LGA    Q    30_B      Q    30_C     0.777     0    0.072   0.147     1.985   92.857   83.651
LGA    G    31_B      G    31_C     0.308     0    0.046   0.046     0.449  100.000  100.000
LGA    C    32_B      C    32_C     0.361     0    0.019   0.774     2.002  100.000   92.540
LGA    T    33_B      T    33_C     0.213     0    0.030   0.116     0.422  100.000  100.000
LGA    I    34_B      I    34_C     0.185     0    0.011   0.058     0.240  100.000  100.000
LGA    V    35_B      V    35_C     0.083     0    0.024   0.079     0.211  100.000  100.000
LGA    T    36_B      T    36_C     0.325     0    0.050   0.097     0.458  100.000  100.000
LGA    T    37_B      T    37_C     0.365     0    0.034   0.087     1.048  100.000   94.626
LGA    Q    38_B      Q    38_C     0.508     0    0.062   1.010     4.347   92.857   84.709
LGA    G    39_B      G    39_C     0.501     0    0.015   0.015     0.719   92.857   92.857
LGA    L    40_B      L    40_C     0.705     0    0.033   0.062     1.447   95.238   89.464
LGA    P    41_B      P    41_C     0.361     0    0.020   0.042     0.647  100.000   97.279
LGA    I    42_B      I    42_C     0.509     0    0.016   0.055     0.539   90.476   95.238
LGA    T    43_B      T    43_C     0.471     0    0.037   0.050     0.506  100.000   98.639
LGA    S    44_B      S    44_C     0.378     0    0.042   0.568     2.248   95.238   90.952
LGA    L    45_B      L    45_C     0.695     0    0.257   0.698     2.281   90.595   87.321
LGA    L    46_B      L    46_C     1.138     0    0.025   0.090     1.369   81.429   82.560
LGA    A    47_B      A    47_C     1.059     0    0.022   0.031     1.245   85.952   85.048
LGA    D    48_B      D    48_C     0.457     0    0.043   0.093     1.135   90.595   92.917
LGA    D    49_B      D    49_C     1.673     0    0.104   0.823     2.370   79.286   77.321
LGA    A    50_B      A    50_C     1.162     0    0.113   0.129     1.275   81.429   83.238
LGA    N    51_B      N    51_C     1.193     0    0.107   0.145     1.774   81.429   80.357
LGA    V    52_B      V    52_C     0.472     0    0.034   0.071     0.681   92.857   94.558
LGA    S    53_B      S    53_C     0.849     0    0.016   0.652     3.190   85.952   80.714
LGA    L    54_B      L    54_C     1.271     0    0.041   0.111     1.793   81.429   79.286
LGA    I    55_B      I    55_C     1.055     0    0.026   0.027     1.235   85.952   85.952
LGA    S    56_B      S    56_C     0.772     0    0.034   0.048     0.867   90.476   90.476
LGA    A    57_B      A    57_C     0.982     0    0.011   0.021     1.032   90.476   88.667
LGA    M    58_B      M    58_C     0.905     0    0.031   0.879     3.043   90.476   80.119
LGA    S    59_B      S    59_C     0.736     0    0.015   0.024     0.858   90.476   90.476
LGA    A    60_B      A    60_C     0.703     0    0.025   0.034     0.754   90.476   90.476
LGA    A    61_B      A    61_C     0.841     0    0.013   0.017     1.003   90.476   88.667
LGA    I    62_B      I    62_C     0.679     0    0.026   0.095     1.092   92.857   90.536
LGA    I    63_B      I    63_C     0.342     0    0.028   0.579     1.600  100.000   95.417
LGA    S    64_B      S    64_C     0.460     0    0.051   0.730     2.422   95.238   89.365
LGA    V    65_B      V    65_C     0.326     0    0.023   0.069     0.432  100.000  100.000
LGA    A    66_B      A    66_C     0.285     0    0.015   0.024     0.372  100.000  100.000
LGA    E    67_B      E    67_C     0.421     0    0.019   1.193     4.615  100.000   80.529
LGA    S    68_B      S    68_C     0.394     0    0.020   0.746     2.153  100.000   94.127
LGA    A    69_B      A    69_C     0.230     0    0.016   0.016     0.340  100.000  100.000
LGA    S    70_B      S    70_C     0.359     0    0.015   0.063     0.570  100.000   98.413
LGA    Q    71_B      Q    71_C     0.753     0    0.030   0.675     3.553   90.476   71.746
LGA    E    72_B      E    72_C     0.755     0    0.068   0.669     2.922   90.476   75.661
LGA    L    73_B      L    73_C     0.345     0    0.066   0.290     1.382   97.619   95.298
LGA    Q    74_B      Q    74_C     0.264     0    0.077   0.183     1.970  100.000   90.741
LGA    R    75_B      R    75_C     0.332     0    0.105   1.240     2.758   97.619   84.459
LGA    G    76_B      G    76_C     0.304     0    0.095   0.095     0.424  100.000  100.000
LGA    Y    77_B      Y    77_C     0.912     0    0.077   1.268     8.296   90.476   55.119
LGA    L    78_B      L    78_C     0.230     0    0.116   0.193     0.580   97.619   96.429
LGA    Q    79_B      Q    79_C     0.347     0    0.035   0.313     1.404  100.000   92.698
LGA    R    80_B      R    80_C     0.599     0    0.073   0.766     2.898   92.857   85.022
LGA    I    81_B      I    81_C     0.579     0    0.015   0.677     2.962   90.476   86.310
LGA    L    82_B      L    82_C     0.376     0    0.051   0.103     1.042   97.619   92.917
LGA    L    83_B      L    83_C     0.334     0    0.057   0.765     1.855  100.000   92.024
LGA    E    84_B      E    84_C     0.105     0    0.060   0.181     1.451   97.619   94.762
LGA    G    85_B      G    85_C     0.929     0    0.024   0.024     0.978   90.476   90.476
LGA    E    86_B      E    86_C     1.283     0    0.074   0.797     4.244   79.286   64.921
LGA    L    87_B      L    87_C     1.770     0    0.029   0.042     2.567   72.857   67.857
LGA    G    88_B      G    88_C     1.779     0    0.040   0.040     1.779   77.143   77.143
LGA    T    89_B      T    89_C     0.966     0    0.053   0.134     1.344   85.952   85.306
LGA    I    90_B      I    90_C     0.375     0    0.010   0.040     0.659  100.000   96.429
LGA    I    91_B      I    91_C     0.118     0    0.047   0.074     0.738  100.000   98.810
LGA    I    92_B      I    92_C     0.363     0    0.019   0.043     0.429  100.000  100.000
LGA    S    93_B      S    93_C     0.344     0    0.018   0.136     0.684  100.000   98.413
LGA    K    94_B      K    94_C     0.180     0    0.020   0.410     2.248  100.000   92.011
LGA    A    95_B      A    95_C     0.194     0    0.026   0.043     0.349  100.000  100.000
LGA    G    96_B      G    96_C     0.227     0    0.070   0.070     0.480  100.000  100.000
LGA    P    97_B      P    97_C     0.196     0    0.053   0.062     0.361  100.000  100.000
LGA    H    98_B      H    98_C     0.212     0    0.058   1.143     2.923  100.000   89.381
LGA    A    99_B      A    99_C     0.120     0    0.046   0.053     0.334  100.000  100.000
LGA    I   100_B      I   100_C     0.311     0    0.045   1.183     2.730  100.000   84.643
LGA    L   101_B      L   101_C     0.141     0    0.017   0.067     0.246  100.000  100.000
LGA    V   102_B      V   102_C     0.150     0    0.008   0.064     0.319  100.000  100.000
LGA    S   103_B      S   103_C     0.117     0    0.040   0.050     0.187  100.000  100.000
LGA    L   104_B      L   104_C     0.621     0    0.014   0.620     2.479   92.857   86.190
LGA    V   105_B      V   105_C     0.991     0    0.105   1.183     2.808   88.214   79.456
LGA    D   106_B      D   106_C     1.081     0    0.034   0.924     2.696   81.548   75.298
LGA    K   107_B      K   107_C     1.672     0    0.069   0.965     7.945   75.000   55.556
LGA    D   108_B      D   108_C     1.868     0    0.082   0.125     2.255   72.857   69.821
LGA    A   109_B      A   109_C     1.458     0    0.088   0.104     1.621   81.548   81.524
LGA    K   110_B      K   110_C     1.115     0    0.115   1.450     7.621   79.286   61.111
LGA    L   111_B      L   111_C     0.529     0    0.077   1.356     3.411   95.238   82.381
LGA    G   112_B      G   112_C     0.525     0    0.063   0.063     0.715   90.476   90.476
LGA    I   113_B      I   113_C     0.444     0    0.013   0.056     0.642  100.000   97.619
LGA    I   114_B      I   114_C     0.478     0    0.039   0.635     2.001  100.000   93.214
LGA    L   115_B      L   115_C     0.440     0    0.048   0.090     0.844  100.000   96.429
LGA    M   116_B      M   116_C     0.227     0    0.050   1.155     4.610  100.000   86.071
LGA    L   117_B      L   117_C     0.290     0    0.058   0.131     0.391  100.000  100.000
LGA    I   118_B      I   118_C     0.307     0    0.064   0.087     0.430  100.000  100.000
LGA    D   119_B      D   119_C     0.192     0    0.073   0.258     0.696  100.000   97.619
LGA    K   120_B      K   120_C     0.148     0    0.035   0.456     1.779  100.000   94.868
LGA    A   121_B      A   121_C     0.195     0    0.049   0.056     0.258  100.000  100.000
LGA    I   122_B      I   122_C     0.309     0    0.029   0.062     0.477  100.000  100.000
LGA    K   123_B      K   123_C     0.343     0    0.037   0.974     4.746  100.000   84.550
LGA    Q   124_B      Q   124_C     0.254     0    0.015   0.927     2.329  100.000   93.069
LGA    I   125_B      I   125_C     0.235     0    0.025   0.029     0.314  100.000  100.000
LGA    A   126_B      A   126_C     0.321     0    0.045   0.053     0.561   97.619   98.095
LGA    E   127_B      E   127_C     0.464     0    0.040   0.101     1.054  100.000   94.762
LGA    L   128_B      L   128_C     0.341     0    0.056   1.076     2.423   97.619   90.000
LGA    M   129_B      M   129_C     0.521     0    0.051   0.070     0.659   92.857   94.048
LGA    D   130_B      D   130_C     0.604     0    0.627   0.909     4.399   90.595   75.357
LGA    A   131_B      A   131_C     3.816     0    0.483   0.502     5.934   37.024   33.905

# 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):     0.840          0.874                  1.547           93.292   88.025

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.84    95.868    98.242    12.876

LGA_LOCAL      RMSD:   0.840  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.840  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.840  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.917170 * X  +   0.158136 * Y  +   0.365777 * Z  +  20.386858
  Y_new =  -0.301576 * X  +   0.324555 * Y  +  -0.896502 * Z  +  -5.388917
  Z_new =  -0.260484 * X  +  -0.932554 * Y  +  -0.249982 * Z  +  24.604979 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.823917  0.263524 -1.832701   [DEG: -161.7985   15.0988 -105.0060 ]
ZXZ:  0.387388  1.823458 -2.869211   [DEG:   22.1957  104.4765 -164.3937 ]
 
# END of job
