
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.88     1.98
  LCS_AVERAGE:     65.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     Q     5_B     Q     5_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     14   98  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     72  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     72  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     51  103  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      4   18   62  114  116  117  117  120  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125      8  107  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125     15  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     57  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     72  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     82  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125     11   97  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     78  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     34  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      3   13   69  113  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125     27  107  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     74  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     80  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     78  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     39  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     82  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     81  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     82  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     68  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125      3   64  112  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    5   12   50   95  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      5  125  125      4    5    6   25   45  108  118  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    4    5    6    6    7    8   10   31   38   44  116  123  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    4    5    6    6    7   16   26   31   60  111  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    4   14   34   64  103  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    4    6    8   21   42   56   99  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    3    3    8   23   39  115  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    3    4    7    9   95  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     76  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     76  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     26  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     64  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     59  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     76  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     83  108  114  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.22  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     83    108    114    115    116    117    119    121    121    122    123    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  66.40  86.40  91.20  92.00  92.80  93.60  95.20  96.80  96.80  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.44   0.52   0.56   0.61   0.69   1.10   1.35   1.23   1.37   1.51   1.51   1.71   1.90   1.90   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.05   2.04   2.02   2.02   2.03   2.02   1.94   1.91   1.93   1.92   1.91   1.91   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.435     0    0.671   0.950     8.354   89.286   52.698
LGA    L     6_B      L     6_B     0.697     0    0.029   0.151     0.834   90.476   90.476
LGA    V     7_B      V     7_B     0.537     0    0.157   0.878     2.541   95.238   85.918
LGA    E     8_B      E     8_B     0.772     0    0.062   0.245     0.952   90.476   90.476
LGA    S     9_B      S     9_B     0.561     0    0.052   0.521     1.969   95.238   90.714
LGA    G    10_B      G    10_B     0.581     0    0.695   0.695     3.051   82.738   82.738
LGA    G    11_B      G    11_B     1.350     0    0.045   0.045     1.534   83.810   83.810
LGA    G    12_B      G    12_B     1.073     0    0.044   0.044     1.073   88.214   88.214
LGA    L    13_B      L    13_B     1.120     0    0.052   0.212     2.162   81.429   79.345
LGA    V    14_B      V    14_B     0.725     0    0.029   0.293     1.041   90.476   89.184
LGA    Q    15_B      Q    15_B     0.492     0    0.014   1.318     4.840   97.619   77.249
LGA    A    16_B      A    16_B     0.492     0    0.032   0.064     0.568   97.619   96.190
LGA    G    17_B      G    17_B     0.537     0    0.037   0.037     0.580   95.238   95.238
LGA    G    18_B      G    18_B     0.322     0    0.059   0.059     1.024   95.357   95.357
LGA    S    19_B      S    19_B     0.313     0    0.073   0.118     0.673   97.619   96.825
LGA    L    20_B      L    20_B     0.297     0    0.020   1.126     2.345  100.000   88.810
LGA    G    21_B      G    21_B     0.391     0    0.038   0.038     0.391  100.000  100.000
LGA    L    22_B      L    22_B     0.321     0    0.020   0.103     0.421  100.000  100.000
LGA    S    23_B      S    23_B     0.402     0    0.012   0.082     0.617   95.238   96.825
LGA    C    24_B      C    24_B     0.587     0    0.058   0.138     0.938   90.476   90.476
LGA    A    25_B      A    25_B     0.496     0    0.063   0.074     0.538   97.619   98.095
LGA    A    26_B      A    26_B     0.807     0    0.037   0.040     0.871   90.476   90.476
LGA    S    27_B      S    27_B     0.827     0    0.139   0.209     2.431   81.786   83.175
LGA    G    28_B      G    28_B     1.422     0    0.546   0.546     4.288   66.548   66.548
LGA    R    29_B      R    29_B     3.312     0    0.468   0.920    13.339   59.167   25.065
LGA    T    30_B      T    30_B     0.968     0    0.119   0.250     3.255   79.524   74.626
LGA    F    31_B      F    31_B     0.989     0    0.000   0.134     1.363   88.214   85.541
LGA    S    32_B      S    32_B     0.617     0    0.059   0.057     0.792   90.476   90.476
LGA    N    33_B      N    33_B     0.369     0    0.080   1.041     2.294   97.619   90.000
LGA    Y    34_B      Y    34_B     0.761     0    0.014   0.134     1.173   90.476   89.722
LGA    V    35_B      V    35_B     0.776     0    0.043   0.914     2.335   90.476   84.286
LGA    M    36_B      M    36_B     0.778     0    0.008   0.184     0.835   90.476   90.476
LGA    A    37_B      A    37_B     0.731     0    0.014   0.018     0.880   90.476   90.476
LGA    W    38_B      W    38_B     0.469     0    0.000   0.088     0.587  100.000   98.639
LGA    F    39_B      F    39_B     0.509     0    0.038   0.077     0.992   97.619   93.074
LGA    R    40_B      R    40_B     0.483     0    0.021   0.099     0.810   97.619   95.671
LGA    Q    41_B      Q    41_B     0.485     0    0.014   0.194     0.886   95.238   94.709
LGA    A    42_B      A    42_B     0.514     0    0.000   0.015     0.542   90.476   90.476
LGA    P    43_B      P    43_B     0.655     0    0.073   0.356     1.159   90.476   89.184
LGA    G    44_B      G    44_B     1.342     0    0.086   0.086     1.342   81.429   81.429
LGA    K    45_B      K    45_B     0.851     0    0.089   0.854     3.284   95.238   82.593
LGA    E    46_B      E    46_B     0.712     0    0.043   0.874     2.520   90.476   82.804
LGA    R    47_B      R    47_B     0.696     0    0.041   0.718     2.254   90.476   84.026
LGA    E    48_B      E    48_B     0.865     0    0.054   0.489     1.432   92.857   86.508
LGA    F    49_B      F    49_B     0.513     0    0.038   0.121     0.721   95.238   92.208
LGA    V    50_B      V    50_B     0.377     0    0.007   0.037     0.493  100.000  100.000
LGA    A    51_B      A    51_B     0.417     0    0.044   0.059     0.454  100.000  100.000
LGA    R    52_B      R    52_B     0.576     0    0.023   0.555     1.945   95.238   90.606
LGA    I    53_B      I    53_B     0.505     0    0.054   0.216     0.921   95.238   94.048
LGA    S    54_B      S    54_B     0.497     0    0.028   0.130     1.026   92.857   90.556
LGA    E    55_B      E    55_B     0.903     0    0.619   1.148     3.438   75.952   74.339
LGA    S    56_B      S    56_B     2.838     0    0.363   0.353     4.398   68.929   58.333
LGA    R    57_B      R    57_B     0.768     0    0.023   0.640     6.727   83.810   59.524
LGA    G    58_B      G    58_B     0.811     0    0.030   0.030     0.926   90.476   90.476
LGA    T    59_B      T    59_B     0.638     0    0.119   0.823     2.222   88.214   82.993
LGA    T    60_B      T    60_B     0.455     0    0.022   0.160     0.708  100.000   98.639
LGA    D    61_B      D    61_B     0.513     0    0.009   0.144     0.868   97.619   94.048
LGA    Y    62_B      Y    62_B     0.376     0    0.028   0.052     0.543  100.000   99.206
LGA    A    63_B      A    63_B     0.390     0    0.020   0.023     0.493  100.000  100.000
LGA    D    64_B      D    64_B     0.563     0    0.067   0.312     1.262   95.238   91.726
LGA    S    65_B      S    65_B     0.736     0    0.027   0.052     0.846   90.476   90.476
LGA    V    66_B      V    66_B     0.668     0    0.028   0.128     0.818   90.476   90.476
LGA    K    67_B      K    67_B     0.784     0    0.030   0.772     3.562   90.476   77.778
LGA    G    68_B      G    68_B     0.605     0    0.099   0.099     0.895   90.476   90.476
LGA    R    69_B      R    69_B     0.252     0    0.024   0.073     0.595  100.000   99.134
LGA    F    70_B      F    70_B     0.145     0    0.018   0.163     0.517  100.000   99.134
LGA    T    71_B      T    71_B     0.201     0    0.022   0.161     0.511  100.000   98.639
LGA    I    72_B      I    72_B     0.352     0    0.038   0.153     0.579  100.000   98.810
LGA    S    73_B      S    73_B     0.216     0    0.030   0.087     0.381  100.000  100.000
LGA    R    74_B      R    74_B     0.199     0    0.062   0.300     0.726  100.000   97.403
LGA    D    75_B      D    75_B     0.262     0    0.000   0.632     1.659  100.000   94.286
LGA    N    76_B      N    76_B     0.387     0    0.092   0.093     0.806   97.619   95.238
LGA    A    77_B      A    77_B     0.434     0    0.028   0.028     0.621  100.000   98.095
LGA    K    78_B      K    78_B     0.681     0    0.049   0.829     1.778   97.619   87.725
LGA    N    79_B      N    79_B     0.305     0    0.051   0.375     1.190   97.619   95.298
LGA    T    80_B      T    80_B     0.425     0    0.091   1.221     2.816  100.000   88.844
LGA    I    81_B      I    81_B     0.622     0    0.029   0.403     1.209   95.238   90.595
LGA    Y    82_B      Y    82_B     0.271     0    0.049   0.084     0.535  100.000   99.206
LGA    L    83_B      L    83_B     0.326     0    0.023   0.142     0.389  100.000  100.000
LGA    Q    84_B      Q    84_B     0.359     0    0.049   0.118     1.084  100.000   93.757
LGA    M    85_B      M    85_B     0.336     0    0.052   0.687     1.862   97.619   93.095
LGA    N    86_B      N    86_B     0.456     0    0.000   0.276     1.067  100.000   95.298
LGA    S    87_B      S    87_B     0.525     0    0.000   0.188     1.134   95.238   92.143
LGA    L    88_B      L    88_B     0.477     0    0.075   0.108     0.659   92.857   96.429
LGA    N    89_B      N    89_B     0.722     0    0.009   0.329     1.189   90.476   90.536
LGA    P    90_B      P    90_B     0.928     0    0.044   0.050     1.095   90.476   87.891
LGA    G    91_B      G    91_B     0.875     0    0.022   0.022     0.916   90.476   90.476
LGA    D    92_B      D    92_B     0.452     0    0.000   0.160     0.533   97.619   97.619
LGA    T    93_B      T    93_B     0.529     0    0.029   0.075     0.747   90.476   91.837
LGA    A    94_B      A    94_B     0.430     0    0.048   0.067     0.507  100.000   98.095
LGA    V    95_B      V    95_B     0.219     0    0.015   0.117     0.379  100.000  100.000
LGA    Y    96_B      Y    96_B     0.084     0    0.068   0.081     0.217  100.000  100.000
LGA    S    97_B      S    97_B     0.390     0    0.018   0.027     0.463  100.000  100.000
LGA    C    98_B      C    98_B     0.505     0    0.007   0.055     0.624   92.857   92.063
LGA    A    99_B      A    99_B     0.674     0    0.023   0.035     0.909   90.476   90.476
LGA    A   100_B      A   100_B     0.902     0    0.018   0.024     1.111   85.952   86.857
LGA    T   101_B      T   101_B     1.439     0    0.086   1.201     3.843   73.214   67.687
LGA    L   102_B      L   102_B     2.096     0    0.046   0.201     5.466   66.786   52.679
LGA    P   103_B      P   103_B     4.763     0    0.681   0.618     6.227   34.524   29.116
LGA    A   104_B      A   104_B     5.274     0    0.086   0.087     7.006   23.452   20.762
LGA    W   105_B      W   105_B     9.572     0    0.049   0.527    18.368    2.738    0.816
LGA    T   106_B      T   106_B     9.082     0    0.140   0.144     9.885    3.095    3.469
LGA    G   107_B      G   107_B     5.789     0    0.665   0.665     6.646   23.095   23.095
LGA    I   108_B      I   108_B     7.196     0    0.603   0.655    11.920    9.524    5.000
LGA    I   109_B      I   109_B     6.650     0    0.490   0.798     8.808   18.333   12.619
LGA    G   110_B      G   110_B     5.142     0    0.563   0.563     5.601   37.024   37.024
LGA    G   111_B      G   111_B     1.346     0    0.680   0.680     1.673   79.286   79.286
LGA    R   112_B      R   112_B     0.889     0    0.038   0.388     1.419   88.214   87.186
LGA    R   113_B      R   113_B     1.138     0    0.042   0.133     3.013   81.429   71.082
LGA    P   114_B      P   114_B     1.037     0    0.072   0.356     1.302   85.952   86.599
LGA    G   115_B      G   115_B     1.164     0    0.025   0.025     1.300   83.690   83.690
LGA    N   116_B      N   116_B     1.032     0    0.039   0.352     2.228   88.214   81.667
LGA    Y   117_B      Y   117_B     0.750     0    0.021   0.101     1.004   88.214   89.722
LGA    P   118_B      P   118_B     0.896     0    0.017   0.035     0.992   90.476   90.476
LGA    Y   119_B      Y   119_B     0.748     0    0.018   0.096     0.805   90.476   92.063
LGA    W   120_B      W   120_B     0.763     0    0.073   0.158     1.151   88.214   87.891
LGA    G   121_B      G   121_B     0.618     0    0.011   0.011     0.793   90.476   90.476
LGA    Q   122_B      Q   122_B     0.832     0    0.010   1.560     7.877   90.476   60.899
LGA    G   123_B      G   123_B     0.481     0    0.094   0.094     0.691   95.238   95.238
LGA    T   124_B      T   124_B     0.241     0    0.025   0.204     0.847  100.000   98.639
LGA    Q   125_B      Q   125_B     0.210     0    0.045   0.128     0.472  100.000  100.000
LGA    V   126_B      V   126_B     0.398     0    0.031   0.142     0.704   95.238   95.918
LGA    T   127_B      T   127_B     0.714     0    0.023   0.087     1.124   90.476   89.184
LGA    V   128_B      V   128_B     0.636     0    0.000   0.076     0.779   90.476   91.837
LGA    S   129_B      S   129_B     0.776     0    0.116   0.639     2.248   85.952   83.175

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.895          1.885                  2.653           87.435   84.166

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.35    93.800    95.996     8.360

LGA_LOCAL      RMSD:   1.347  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.911  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.895  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.276090 * X  +   0.867909 * Y  +   0.412925 * Z  + 125.637917
  Y_new =   0.379098 * X  +  -0.493129 * Y  +   0.783013 * Z  +   3.777789
  Z_new =   0.883210 * X  +  -0.059643 * Y  +  -0.465170 * Z  + -19.317524 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.941340 -1.082662 -3.014071   [DEG:   53.9348  -62.0320 -172.6935 ]
ZXZ:  2.656302  2.054623  1.638224   [DEG:  152.1949  117.7213   93.8633 ]
 
# END of job
