
#######################################################
#                                                     #
#                        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       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      51_C - 129_C       1.00     1.60
  LONGEST_CONTINUOUS_SEGMENT:    79      52_C - 130_C       0.99     1.61
  LCS_AVERAGE:     53.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H    11_B     H    11_C     37  121  121     21   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     22   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     11   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     17   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     30   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     11   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121     25   75  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121      8   58  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121      5   28   92  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121      8   64  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     28   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121      3   26   65  114  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     37  121  121     27   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     37  121  121      3   19  101  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     37  121  121     21   66  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     37  121  121     21   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     37  121  121     21   75  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     37  121  121     27   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     37  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     37  121  121     21   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     37  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     37  121  121     15   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     37  121  121     11   71  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     37  121  121      3   17   44   83  115  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C      5  121  121      4    4    6   24   44   88  114  118  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C      5  121  121      4    4    7   10   12   24   35   43   90  107  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C     20  121  121      4   10   28   46   71  107  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     79  121  121     12   67  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     79  121  121     16   75  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     79  121  121     12   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     79  121  121     18   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     79  121  121     21   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     79  121  121     20   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     79  121  121     15   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     79  121  121     21   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     79  121  121     11   64  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     79  121  121     11   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     79  121  121     27   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     79  121  121     11   53  103  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     79  121  121     10   39  103  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     79  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     79  121  121      8   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     79  121  121      8   53  103  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     79  121  121     15   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     79  121  121     26   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     79  121  121     10   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     79  121  121     11   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     79  121  121     22   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     79  121  121     23   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     79  121  121     11   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     79  121  121     11   51  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     79  121  121      8   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     79  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     79  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     79  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     79  121  121     25   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     79  121  121     33   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     79  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     79  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     79  121  121     27   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     79  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     79  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     79  121  121     25   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     79  121  121      4   22   81  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     79  121  121     19   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     79  121  121     32   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     79  121  121     17   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     79  121  121     13   74  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     79  121  121     29   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     79  121  121      8   70  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     79  121  121     22   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     79  121  121     22   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     79  121  121     18   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     79  121  121      8   75  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     79  121  121      6   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     79  121  121      6   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     79  121  121     17   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     79  121  121     34   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     79  121  121     17   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     79  121  121     30   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     79  121  121     17   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     79  121  121     37   81  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     79  121  121      9   72  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     79  121  121      9   58  107  115  116  117  118  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     54  121  121      0    3    4    5   92  116  117  119  119  120  120  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  84.36  (  53.09  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     37     81    107    115    116    117    118    119    119    120    120    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  30.58  66.94  88.43  95.04  95.87  96.69  97.52  98.35  98.35  99.17  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.67   0.90   0.99   1.02   1.08   1.17   1.22   1.22   1.33   1.33   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.81   1.68   1.58   1.58   1.58   1.57   1.56   1.56   1.56   1.55   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    48_B      D    48_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  D   119_B      D   119_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     1.066     0    0.176   1.294     5.371   85.952   66.524
LGA    T    12_B      T    12_C     0.888     0    0.033   1.146     3.057   85.952   78.435
LGA    D    13_B      D    13_C     1.221     0    0.048   1.158     3.103   81.429   77.500
LGA    K    14_B      K    14_C     0.981     0    0.035   1.094     4.923   88.214   71.429
LGA    L    15_B      L    15_C     0.705     0    0.037   0.962     3.369   90.476   82.083
LGA    W    16_B      W    16_C     0.903     0    0.079   1.603     5.119   90.476   69.286
LGA    Y    17_B      Y    17_C     0.684     0    0.060   0.614     2.700   92.857   79.722
LGA    I    18_B      I    18_C     0.481     0    0.024   1.061     3.038  100.000   83.810
LGA    L    19_B      L    19_C     0.580     0    0.025   1.130     3.234   92.857   83.393
LGA    Q    20_B      Q    20_C     0.827     0    0.054   0.941     4.441   85.952   71.481
LGA    E    21_B      E    21_C     1.377     0    0.046   1.323     7.062   79.286   53.122
LGA    L    22_B      L    22_C     1.812     0    0.019   0.932     2.127   72.857   72.976
LGA    T    23_B      T    23_C     1.380     0    0.080   1.303     3.423   85.952   75.034
LGA    S    24_B      S    24_C     0.594     0    0.632   0.576     2.763   82.143   81.905
LGA    N    25_B      N    25_C     2.443     0    0.131   1.182     7.035   70.952   53.036
LGA    R    26_B      R    26_C     0.305     0    0.038   1.533     7.570   88.333   59.048
LGA    G    27_B      G    27_C     1.923     0    0.708   0.708     3.596   67.619   67.619
LGA    D    28_B      D    28_C     1.344     0    0.061   1.121     5.769   81.429   63.333
LGA    I    29_B      I    29_C     1.065     0    0.055   1.369     4.089   85.952   72.083
LGA    Q    30_B      Q    30_C     0.887     0    0.094   0.534     2.247   92.857   81.852
LGA    G    31_B      G    31_C     0.299     0    0.040   0.040     0.512   97.619   97.619
LGA    C    32_B      C    32_C     0.590     0    0.107   0.793     2.166   90.595   86.270
LGA    T    33_B      T    33_C     0.455     0    0.032   1.138     2.606  100.000   88.844
LGA    I    34_B      I    34_C     0.273     0    0.036   0.629     2.058  100.000   95.595
LGA    V    35_B      V    35_C     0.416     0    0.042   0.061     0.623   95.238   93.197
LGA    T    36_B      T    36_C     0.618     0    0.045   1.067     2.616   90.476   82.041
LGA    T    37_B      T    37_C     1.016     0    0.076   1.042     3.404   83.690   74.762
LGA    Q    38_B      Q    38_C     0.585     0    0.112   1.114     4.196   90.476   78.836
LGA    G    39_B      G    39_C     0.693     0    0.051   0.051     0.732   90.476   90.476
LGA    L    40_B      L    40_C     0.435     0    0.039   0.131     0.474  100.000  100.000
LGA    P    41_B      P    41_C     0.385     0    0.070   0.320     1.091   97.619   95.986
LGA    I    42_B      I    42_C     0.300     0    0.016   0.609     2.096  100.000   94.405
LGA    T    43_B      T    43_C     0.323     0    0.068   0.160     0.944   95.238   97.279
LGA    S    44_B      S    44_C     0.674     0    0.044   0.057     1.248   95.238   90.635
LGA    L    45_B      L    45_C     0.839     0    0.549   1.193     3.898   74.286   77.917
LGA    L    46_B      L    46_C     1.318     0    0.042   0.126     2.944   73.452   78.631
LGA    A    47_B      A    47_C     3.963     0    0.110   0.157     4.865   43.452   41.048
LGA    D    48_B      D    48_C     5.820     0    0.688   1.240     7.307   22.738   19.583
LGA    D    49_B      D    49_C     9.091     0    0.248   1.305    14.773    6.548    3.274
LGA    A    50_B      A    50_C     5.080     0    0.245   0.300     5.994   33.571   33.143
LGA    N    51_B      N    51_C     1.451     0    0.239   1.320     4.960   75.357   62.679
LGA    V    52_B      V    52_C     1.101     0    0.060   0.134     1.151   81.429   81.429
LGA    S    53_B      S    53_C     1.126     0    0.044   0.569     1.300   81.429   81.429
LGA    L    54_B      L    54_C     1.207     0    0.027   0.997     3.463   81.429   77.500
LGA    I    55_B      I    55_C     1.082     0    0.027   1.305     3.403   81.429   72.560
LGA    S    56_B      S    56_C     0.918     0    0.070   0.129     0.994   90.476   92.063
LGA    A    57_B      A    57_C     1.032     0    0.028   0.049     1.136   85.952   85.048
LGA    M    58_B      M    58_C     0.925     0    0.023   1.161     5.925   90.476   70.119
LGA    S    59_B      S    59_C     0.932     0    0.025   0.038     1.346   90.476   87.460
LGA    A    60_B      A    60_C     0.647     0    0.043   0.059     0.761   90.476   90.476
LGA    A    61_B      A    61_C     1.142     0    0.028   0.046     1.505   83.690   81.524
LGA    I    62_B      I    62_C     1.322     0    0.062   1.350     3.143   79.286   68.571
LGA    I    63_B      I    63_C     0.826     0    0.028   0.888     3.231   90.476   78.988
LGA    S    64_B      S    64_C     0.876     0    0.052   0.659     3.102   88.214   82.222
LGA    V    65_B      V    65_C     1.705     0    0.036   1.218     4.871   75.000   65.850
LGA    A    66_B      A    66_C     1.620     0    0.045   0.046     1.972   77.143   76.286
LGA    E    67_B      E    67_C     0.368     0    0.030   0.756     3.890   95.238   79.471
LGA    S    68_B      S    68_C     1.247     0    0.047   0.666     1.664   83.690   80.079
LGA    A    69_B      A    69_C     1.842     0    0.042   0.046     2.508   77.143   73.143
LGA    S    70_B      S    70_C     1.184     0    0.055   0.595     2.529   85.952   78.968
LGA    Q    71_B      Q    71_C     0.562     0    0.021   0.887     4.270   92.857   71.905
LGA    E    72_B      E    72_C     1.231     0    0.069   1.235     4.635   83.690   67.090
LGA    L    73_B      L    73_C     1.375     0    0.209   1.246     4.863   81.429   70.952
LGA    Q    74_B      Q    74_C     0.829     0    0.068   1.355     5.414   90.476   68.942
LGA    R    75_B      R    75_C     0.748     0    0.281   1.708     5.394   81.786   67.143
LGA    G    76_B      G    76_C     1.259     0    0.097   0.097     1.398   83.690   83.690
LGA    Y    77_B      Y    77_C     1.531     0    0.025   0.141     2.837   77.143   68.968
LGA    L    78_B      L    78_C     1.046     0    0.035   0.100     1.982   83.690   81.488
LGA    Q    79_B      Q    79_C     0.459     0    0.199   0.932     2.996  100.000   88.201
LGA    R    80_B      R    80_C     0.607     0    0.073   1.103     3.634   90.476   71.039
LGA    I    81_B      I    81_C     0.671     0    0.029   1.207     3.307   90.476   80.000
LGA    L    82_B      L    82_C     0.522     0    0.109   1.399     4.170   90.476   77.619
LGA    L    83_B      L    83_C     0.940     0    0.129   0.907     4.118   90.476   76.310
LGA    E    84_B      E    84_C     0.616     0    0.194   0.679     3.902   88.214   69.259
LGA    G    85_B      G    85_C     0.578     0    0.079   0.079     0.724   92.857   92.857
LGA    E    86_B      E    86_C     0.279     0    0.168   1.137     5.228   97.619   76.349
LGA    L    87_B      L    87_C     0.253     0    0.189   0.960     2.612   92.976   84.226
LGA    G    88_B      G    88_C     0.720     0    0.082   0.082     0.720   92.857   92.857
LGA    T    89_B      T    89_C     0.605     0    0.076   0.838     2.459   90.476   85.510
LGA    I    90_B      I    90_C     0.601     0    0.059   0.564     2.078   92.857   86.190
LGA    I    91_B      I    91_C     0.441     0    0.047   1.119     2.860   95.238   84.286
LGA    I    92_B      I    92_C     1.009     0    0.152   0.232     1.692   85.952   81.548
LGA    S    93_B      S    93_C     0.690     0    0.076   0.144     1.496   92.857   90.556
LGA    K    94_B      K    94_C     0.351     0    0.025   0.354     2.180   95.238   89.894
LGA    A    95_B      A    95_C     0.616     0    0.067   0.074     0.915   92.857   92.381
LGA    G    96_B      G    96_C     0.805     0    0.045   0.045     0.805   95.238   95.238
LGA    P    97_B      P    97_C     0.698     0    0.132   0.284     1.904   83.810   86.667
LGA    H    98_B      H    98_C     2.413     0    0.221   0.230     5.321   70.833   48.476
LGA    A    99_B      A    99_C     1.114     0    0.049   0.047     1.476   85.952   85.048
LGA    I   100_B      I   100_C     0.281     0    0.044   0.128     0.762  100.000   97.619
LGA    L   101_B      L   101_C     0.427     0    0.046   0.101     0.721  100.000   96.429
LGA    V   102_B      V   102_C     0.689     0    0.056   0.098     0.920   90.476   90.476
LGA    S   103_B      S   103_C     0.429     0    0.080   0.679     2.890   97.619   89.683
LGA    L   104_B      L   104_C     0.403     0    0.096   0.147     0.629   97.619   96.429
LGA    V   105_B      V   105_C     0.660     0    0.069   1.297     3.501   90.476   78.980
LGA    D   106_B      D   106_C     1.191     0    0.089   1.054     2.885   90.595   78.750
LGA    K   107_B      K   107_C     1.186     0    0.027   0.588     2.524   81.548   78.942
LGA    D   108_B      D   108_C     1.427     0    0.215   0.275     3.317   88.214   72.738
LGA    A   109_B      A   109_C     0.593     0    0.013   0.033     0.836   92.857   92.381
LGA    K   110_B      K   110_C     0.720     0    0.024   1.426     6.958   90.476   70.529
LGA    L   111_B      L   111_C     0.920     0    0.080   1.185     2.835   88.214   81.964
LGA    G   112_B      G   112_C     1.441     0    0.072   0.072     1.463   81.429   81.429
LGA    I   113_B      I   113_C     1.438     0    0.033   0.129     1.760   79.286   79.286
LGA    I   114_B      I   114_C     1.443     0    0.032   0.156     1.982   81.429   77.143
LGA    L   115_B      L   115_C     1.438     0    0.037   0.886     3.041   81.429   76.488
LGA    M   116_B      M   116_C     1.529     0    0.026   0.649     1.872   75.000   75.000
LGA    L   117_B      L   117_C     1.540     0    0.030   0.979     3.935   79.286   74.583
LGA    I   118_B      I   118_C     0.849     0    0.073   1.016     2.624   88.214   79.762
LGA    D   119_B      D   119_C     1.167     0    0.030   1.101     4.491   81.429   69.821
LGA    K   120_B      K   120_C     1.527     0    0.040   0.734     3.592   79.286   73.386
LGA    A   121_B      A   121_C     1.086     0    0.026   0.039     1.182   85.952   85.048
LGA    I   122_B      I   122_C     0.672     0    0.033   1.584     3.604   90.476   76.310
LGA    K   123_B      K   123_C     0.963     0    0.045   1.205     6.120   90.476   67.354
LGA    Q   124_B      Q   124_C     0.711     0    0.048   0.976     4.163   90.476   75.608
LGA    I   125_B      I   125_C     0.223     0    0.061   1.409     3.874  100.000   84.107
LGA    A   126_B      A   126_C     0.503     0    0.034   0.040     1.077   90.595   92.476
LGA    E   127_B      E   127_C     1.293     0    0.028   0.743     4.680   83.690   61.852
LGA    L   128_B      L   128_C     0.565     0    0.089   0.122     0.796   90.476   94.048
LGA    M   129_B      M   129_C     1.133     0    0.183   0.859     1.981   81.548   80.476
LGA    D   130_B      D   130_C     1.529     0    0.217   0.940     4.847   79.286   66.071
LGA    A   131_B      A   131_C     3.895     0    0.537   0.664     5.914   37.976   36.667

# 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):     1.544          1.506                  2.309           85.168   77.484

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    119    1.22    90.083    95.328     8.982

LGA_LOCAL      RMSD:   1.225  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.562  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.544  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.314182 * X  +  -0.706623 * Y  +  -0.634014 * Z  +  10.360790
  Y_new =   0.940183 * X  +   0.138939 * Y  +   0.311050 * Z  + -54.467461
  Z_new =  -0.131705 * X  +  -0.693816 * Y  +   0.708007 * Z  +  19.438181 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.248292  0.132089 -0.775275   [DEG:   71.5219    7.5682  -44.4200 ]
ZXZ: -2.026899  0.784125 -2.953997   [DEG: -116.1328   44.9270 -169.2516 ]
 
# END of job
