
#######################################################
#                                                     #
#                        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       0.79     0.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.79     0.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.79     0.79
  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     26  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     79  109  117  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     75  109  117  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     80  109  117  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     33   95  112  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      4    4    4   20  115  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     48  109  117  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   89  117  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     65  109  117  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     69  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     71  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     61  109  117  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     80  109  117  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     49  105  115  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     75  109  117  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     75  109  117  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     80  109  117  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     79  109  117  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     78  109  117  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     78  109  117  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     78  109  117  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     78  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     79  109  117  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     14  104  117  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     79  109  117  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     69  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     79  109  117  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     45  109  117  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   98  117  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   89  117  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     10   91  117  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     45  109  117  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     79  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     76  109  117  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     57  109  117  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     38  109  117  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      6   91  117  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     15   74  117  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      7   98  117  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     47  109  117  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     75  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     80  109  117  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     78  109  117  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     63  109  117  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      3    3   62   83  115  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     80    109    117    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  66.12  90.08  96.69  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   0.48   0.61   0.65   0.65   0.71   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79
GDT RMS_ALL_AT   0.82   0.80   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  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     0.951     0    0.193   1.180     5.497   90.476   67.429
LGA    T    12_B      T    12_C     0.468     0    0.036   1.166     3.036   97.619   84.014
LGA    D    13_B      D    13_C     0.252     0    0.043   1.187     4.450  100.000   83.333
LGA    K    14_B      K    14_C     0.154     0    0.015   0.567     3.071  100.000   89.365
LGA    L    15_B      L    15_C     0.133     0    0.031   0.092     0.476  100.000  100.000
LGA    W    16_B      W    16_C     0.157     0    0.072   0.083     0.885  100.000   93.878
LGA    Y    17_B      Y    17_C     0.144     0    0.033   0.151     0.974  100.000   96.825
LGA    I    18_B      I    18_C     0.311     0    0.018   0.060     0.378  100.000  100.000
LGA    L    19_B      L    19_C     0.336     0    0.008   0.049     0.482  100.000  100.000
LGA    Q    20_B      Q    20_C     0.265     0    0.023   1.206     3.096  100.000   83.651
LGA    E    21_B      E    21_C     0.485     0    0.016   0.818     3.162   97.619   81.799
LGA    L    22_B      L    22_C     0.745     0    0.017   1.375     3.159   90.476   81.071
LGA    T    23_B      T    23_C     0.652     0    0.030   0.038     0.800   90.476   91.837
LGA    S    24_B      S    24_C     0.325     0    0.077   0.102     1.121   97.619   93.730
LGA    N    25_B      N    25_C     1.785     0    0.472   0.919     6.406   69.286   52.738
LGA    R    26_B      R    26_C     3.051     0    0.594   1.383     7.636   54.167   36.234
LGA    G    27_B      G    27_C     0.983     0    0.115   0.115     1.202   88.214   88.214
LGA    D    28_B      D    28_C     1.449     0    0.159   0.942     2.530   83.690   75.298
LGA    I    29_B      I    29_C     0.639     0    0.051   0.086     1.207   90.476   89.345
LGA    Q    30_B      Q    30_C     0.602     0    0.065   0.140     1.715   97.619   87.725
LGA    G    31_B      G    31_C     0.223     0    0.042   0.042     0.382  100.000  100.000
LGA    C    32_B      C    32_C     0.315     0    0.030   0.792     2.041  100.000   92.540
LGA    T    33_B      T    33_C     0.140     0    0.020   0.110     0.305  100.000  100.000
LGA    I    34_B      I    34_C     0.138     0    0.019   0.053     0.300  100.000  100.000
LGA    V    35_B      V    35_C     0.055     0    0.019   0.057     0.193  100.000  100.000
LGA    T    36_B      T    36_C     0.271     0    0.044   0.070     0.503  100.000   98.639
LGA    T    37_B      T    37_C     0.259     0    0.035   0.083     0.963  100.000   95.918
LGA    Q    38_B      Q    38_C     0.463     0    0.067   0.961     4.051   95.238   84.709
LGA    G    39_B      G    39_C     0.528     0    0.016   0.016     0.850   92.857   92.857
LGA    L    40_B      L    40_C     0.829     0    0.044   0.080     1.734   92.857   85.000
LGA    P    41_B      P    41_C     0.377     0    0.012   0.279     0.603  100.000   95.918
LGA    I    42_B      I    42_C     0.370     0    0.021   0.055     0.380  100.000  100.000
LGA    T    43_B      T    43_C     0.340     0    0.043   0.055     0.492  100.000  100.000
LGA    S    44_B      S    44_C     0.247     0    0.055   0.079     0.667   97.619   98.413
LGA    L    45_B      L    45_C     0.467     0    0.041   0.739     2.400  100.000   90.893
LGA    L    46_B      L    46_C     0.649     0    0.016   0.085     0.801   90.476   90.476
LGA    A    47_B      A    47_C     0.791     0    0.019   0.028     1.052   95.238   92.476
LGA    D    48_B      D    48_C     0.118     0    0.042   0.103     1.248   95.238   91.786
LGA    D    49_B      D    49_C     1.494     0    0.121   0.821     2.439   81.429   78.393
LGA    A    50_B      A    50_C     0.951     0    0.111   0.127     1.089   85.952   86.857
LGA    N    51_B      N    51_C     0.964     0    0.090   0.148     1.539   85.952   82.619
LGA    V    52_B      V    52_C     0.472     0    0.037   0.065     0.656   95.238   95.918
LGA    S    53_B      S    53_C     0.655     0    0.015   0.649     2.873   90.476   84.921
LGA    L    54_B      L    54_C     0.812     0    0.041   0.093     1.034   90.476   89.345
LGA    I    55_B      I    55_C     0.722     0    0.013   0.021     0.757   90.476   90.476
LGA    S    56_B      S    56_C     0.728     0    0.038   0.050     0.762   90.476   90.476
LGA    A    57_B      A    57_C     0.729     0    0.015   0.023     0.786   90.476   90.476
LGA    M    58_B      M    58_C     0.513     0    0.036   1.222     5.227   90.476   78.274
LGA    S    59_B      S    59_C     0.588     0    0.022   0.643     2.839   92.857   86.508
LGA    A    60_B      A    60_C     0.582     0    0.024   0.034     0.632   90.476   90.476
LGA    A    61_B      A    61_C     0.621     0    0.013   0.018     0.689   90.476   90.476
LGA    I    62_B      I    62_C     0.525     0    0.028   0.146     0.945   95.238   92.857
LGA    I    63_B      I    63_C     0.251     0    0.025   0.514     1.543  100.000   96.607
LGA    S    64_B      S    64_C     0.373     0    0.021   0.722     2.261   97.619   92.540
LGA    V    65_B      V    65_C     0.287     0    0.016   0.063     0.372  100.000  100.000
LGA    A    66_B      A    66_C     0.358     0    0.016   0.023     0.437  100.000  100.000
LGA    E    67_B      E    67_C     0.464     0    0.022   1.191     4.814  100.000   80.688
LGA    S    68_B      S    68_C     0.329     0    0.028   0.724     2.299  100.000   94.127
LGA    A    69_B      A    69_C     0.162     0    0.013   0.016     0.310  100.000  100.000
LGA    S    70_B      S    70_C     0.669     0    0.013   0.084     0.839   92.857   92.063
LGA    Q    71_B      Q    71_C     0.821     0    0.041   0.661     3.178   90.476   74.868
LGA    E    72_B      E    72_C     0.553     0    0.040   0.127     0.605   92.857   93.651
LGA    L    73_B      L    73_C     0.467     0    0.053   0.231     0.702   92.857   95.238
LGA    Q    74_B      Q    74_C     0.722     0    0.094   0.193     2.930   92.857   79.153
LGA    R    75_B      R    75_C     0.367     0    0.102   1.316     3.323   97.619   82.208
LGA    G    76_B      G    76_C     0.511     0    0.084   0.084     0.647   92.857   92.857
LGA    Y    77_B      Y    77_C     1.169     0    0.069   1.280     8.790   85.952   50.040
LGA    L    78_B      L    78_C     0.350     0    0.142   0.224     0.769   95.238   96.429
LGA    Q    79_B      Q    79_C     0.615     0    0.052   0.964     3.052   95.238   85.079
LGA    R    80_B      R    80_C     0.474     0    0.069   1.385     4.730   95.238   81.255
LGA    I    81_B      I    81_C     0.497     0    0.011   0.687     2.848  100.000   93.452
LGA    L    82_B      L    82_C     0.363     0    0.038   0.835     2.007   97.619   87.500
LGA    L    83_B      L    83_C     0.240     0    0.043   0.808     1.988  100.000   93.214
LGA    E    84_B      E    84_C     0.211     0    0.061   0.556     2.158   97.619   92.910
LGA    G    85_B      G    85_C     0.963     0    0.025   0.025     1.062   85.952   85.952
LGA    E    86_B      E    86_C     1.375     0    0.043   0.717     2.591   77.143   74.974
LGA    L    87_B      L    87_C     1.718     0    0.042   0.052     2.337   72.857   69.821
LGA    G    88_B      G    88_C     1.725     0    0.048   0.048     1.725   77.143   77.143
LGA    T    89_B      T    89_C     0.964     0    0.066   0.167     1.297   85.952   85.306
LGA    I    90_B      I    90_C     0.302     0    0.007   0.081     0.421  100.000  100.000
LGA    I    91_B      I    91_C     0.111     0    0.059   0.112     0.586  100.000   98.810
LGA    I    92_B      I    92_C     0.351     0    0.029   0.046     0.398  100.000  100.000
LGA    S    93_B      S    93_C     0.345     0    0.015   0.097     0.627  100.000   98.413
LGA    K    94_B      K    94_C     0.212     0    0.010   0.416     2.132  100.000   94.021
LGA    A    95_B      A    95_C     0.234     0    0.027   0.043     0.419  100.000  100.000
LGA    G    96_B      G    96_C     0.296     0    0.072   0.072     0.656   97.619   97.619
LGA    P    97_B      P    97_C     0.278     0    0.066   0.067     0.399  100.000  100.000
LGA    H    98_B      H    98_C     0.408     0    0.044   1.146     3.306   97.619   86.905
LGA    A    99_B      A    99_C     0.186     0    0.050   0.054     0.389  100.000  100.000
LGA    I   100_B      I   100_C     0.327     0    0.051   1.170     2.707  100.000   84.643
LGA    L   101_B      L   101_C     0.177     0    0.033   0.098     0.341  100.000  100.000
LGA    V   102_B      V   102_C     0.173     0    0.011   0.038     0.344  100.000  100.000
LGA    S   103_B      S   103_C     0.101     0    0.045   0.060     0.153  100.000  100.000
LGA    L   104_B      L   104_C     0.418     0    0.012   0.085     0.855   95.238   92.857
LGA    V   105_B      V   105_C     0.802     0    0.094   1.185     2.655   90.476   82.041
LGA    D   106_B      D   106_C     0.952     0    0.036   0.922     2.526   83.810   77.500
LGA    K   107_B      K   107_C     1.541     0    0.079   1.100     8.203   75.000   55.291
LGA    D   108_B      D   108_C     1.827     0    0.075   0.131     2.320   72.857   69.821
LGA    A   109_B      A   109_C     1.330     0    0.087   0.105     1.522   81.548   81.524
LGA    K   110_B      K   110_C     0.977     0    0.113   1.440     7.788   85.952   63.175
LGA    L   111_B      L   111_C     0.465     0    0.086   1.355     3.182  100.000   84.762
LGA    G   112_B      G   112_C     0.385     0    0.068   0.068     0.647   97.619   97.619
LGA    I   113_B      I   113_C     0.245     0    0.009   0.048     0.330  100.000  100.000
LGA    I   114_B      I   114_C     0.374     0    0.039   0.617     1.840  100.000   95.417
LGA    L   115_B      L   115_C     0.400     0    0.073   0.121     0.925  100.000   96.429
LGA    M   116_B      M   116_C     0.142     0    0.044   1.186     5.116  100.000   84.524
LGA    L   117_B      L   117_C     0.291     0    0.051   0.161     0.535  100.000   98.810
LGA    I   118_B      I   118_C     0.266     0    0.053   0.101     0.352  100.000  100.000
LGA    D   119_B      D   119_C     0.291     0    0.092   0.243     0.951   97.619   94.048
LGA    K   120_B      K   120_C     0.227     0    0.016   0.473     2.053  100.000   95.026
LGA    A   121_B      A   121_C     0.191     0    0.032   0.038     0.272  100.000  100.000
LGA    I   122_B      I   122_C     0.309     0    0.028   0.068     0.469  100.000  100.000
LGA    K   123_B      K   123_C     0.276     0    0.033   0.978     4.897  100.000   84.550
LGA    Q   124_B      Q   124_C     0.221     0    0.017   0.137     0.668  100.000   97.884
LGA    I   125_B      I   125_C     0.288     0    0.026   0.031     0.389  100.000  100.000
LGA    A   126_B      A   126_C     0.344     0    0.044   0.052     0.526   97.619   98.095
LGA    E   127_B      E   127_C     0.422     0    0.029   0.098     0.891  100.000   95.767
LGA    L   128_B      L   128_C     0.357     0    0.048   1.071     2.337   97.619   90.000
LGA    M   129_B      M   129_C     0.576     0    0.054   0.092     0.709   92.857   91.667
LGA    D   130_B      D   130_C     0.731     0    0.603   0.928     4.918   86.071   68.571
LGA    A   131_B      A   131_C     3.778     0    0.237   0.320     6.017   38.333   34.095

# 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):     0.786          0.816                  1.504           93.980   88.852

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.79    97.107    98.695    13.662

LGA_LOCAL      RMSD:   0.786  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.786  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.786  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.737414 * X  +   0.416888 * Y  +   0.531436 * Z  +  22.151993
  Y_new =  -0.077634 * X  +   0.729272 * Y  +  -0.679805 * Z  +  -4.197590
  Z_new =  -0.670964 * X  +  -0.542555 * Y  +  -0.505411 * Z  +  21.617943 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.036701  0.735509 -2.320765   [DEG: -173.9901   42.1415 -132.9701 ]
ZXZ:  0.663512  2.100655 -2.250771   [DEG:   38.0165  120.3587 -128.9597 ]
 
# END of job
