
#######################################################
#                                                     #
#                        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       0.91     0.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       0.91     0.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       0.91     0.91
  LCS_AVERAGE:    100.00

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    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    125  125  125     78  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    125  125  125     77  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    125  125  125     72  113  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    125  125  125     68  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    125  125  125     70  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    125  125  125     75  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    125  125  125     72  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    125  125  125     79  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    125  125  125     69  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    125  125  125      6   86  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    125  125  125      3    3   40   76  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    125  125  125     64  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    125  125  125     14  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    125  125  125     64  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    125  125  125     65  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    125  125  125      6  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    125  125  125     76  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    125  125  125     83  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    125  125  125     55  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    125  125  125     14  112  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    125  125  125     37  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    125  125  125     28  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    125  125  125     76  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    125  125  125     76  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    125  125  125     83  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    125  125  125     83  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    125  125  125     46  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    125  125  125     78  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    125  125  125     19  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    125  125  125      8   68  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    125  125  125     16   53  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B    125  125  125      8   68  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B    125  125  125      7   45   86  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B    125  125  125      4    4    4    7  118  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B    125  125  125      4    4    4   53   86  108  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B    125  125  125      4  106  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B    125  125  125     78  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B    125  125  125     63  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B    125  125  125     62  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B    125  125  125     70  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B    125  125  125     52  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B    125  125  125     84  114  118  121  122  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
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     84    114    118    121    122    123    124    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  67.20  91.20  94.40  96.80  97.60  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.48   0.55   0.60   0.64   0.71   0.80   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91
GDT RMS_ALL_AT   0.94   0.91   0.91   0.92   0.92   0.92   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91

# 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:  F    49_B      F    49_B
#   possible swapping detected:  E    55_B      E    55_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     0.339     0    0.661   0.513     9.976   91.190   50.159
LGA    L     6_B      L     6_B     0.474     0    0.029   0.184     0.714   95.238   96.429
LGA    V     7_B      V     7_B     0.418     0    0.157   0.881     2.369   97.619   88.367
LGA    E     8_B      E     8_B     0.593     0    0.053   0.239     0.802   92.857   92.593
LGA    S     9_B      S     9_B     0.295     0    0.049   0.516     1.865  100.000   95.476
LGA    G    10_B      G    10_B     0.273     0    0.095   0.095     0.503   97.619   97.619
LGA    G    11_B      G    11_B     0.456     0    0.118   0.118     1.707   88.452   88.452
LGA    G    12_B      G    12_B     0.733     0    0.033   0.033     0.733   95.238   95.238
LGA    L    13_B      L    13_B     0.944     0    0.038   0.191     1.762   85.952   84.881
LGA    V    14_B      V    14_B     0.786     0    0.048   0.107     1.067   92.857   89.252
LGA    Q    15_B      Q    15_B     0.654     0    0.017   1.365     5.132   90.476   71.905
LGA    A    16_B      A    16_B     0.624     0    0.051   0.084     0.624   92.857   92.381
LGA    G    17_B      G    17_B     0.671     0    0.030   0.030     0.788   92.857   92.857
LGA    G    18_B      G    18_B     0.493     0    0.083   0.083     1.087   90.595   90.595
LGA    S    19_B      S    19_B     0.564     0    0.061   0.106     0.908   95.238   93.651
LGA    L    20_B      L    20_B     0.298     0    0.021   0.823     3.114   97.619   87.857
LGA    G    21_B      G    21_B     0.137     0    0.093   0.093     0.680   97.619   97.619
LGA    L    22_B      L    22_B     0.160     0    0.020   0.140     0.481  100.000  100.000
LGA    S    23_B      S    23_B     0.270     0    0.025   0.094     0.513   97.619   98.413
LGA    C    24_B      C    24_B     0.444     0    0.077   0.142     0.763   97.619   96.825
LGA    A    25_B      A    25_B     0.319     0    0.058   0.068     0.364  100.000  100.000
LGA    A    26_B      A    26_B     0.632     0    0.033   0.040     0.759   90.476   90.476
LGA    S    27_B      S    27_B     0.700     0    0.101   0.146     2.386   81.786   80.238
LGA    G    28_B      G    28_B     1.710     0    0.528   0.528     4.336   64.405   64.405
LGA    R    29_B      R    29_B     3.433     0    0.474   0.929    13.474   55.476   23.723
LGA    T    30_B      T    30_B     0.752     0    0.087   0.231     3.092   83.810   78.299
LGA    F    31_B      F    31_B     0.887     0    0.000   0.128     1.116   90.595   89.697
LGA    S    32_B      S    32_B     0.671     0    0.022   0.073     0.909   90.476   90.476
LGA    N    33_B      N    33_B     0.608     0    0.017   1.059     3.142   95.238   86.667
LGA    Y    34_B      Y    34_B     0.301     0    0.022   0.226     1.022  100.000   92.937
LGA    V    35_B      V    35_B     0.159     0    0.030   0.839     1.947  100.000   92.245
LGA    M    36_B      M    36_B     0.498     0    0.011   0.287     0.788  100.000   95.238
LGA    A    37_B      A    37_B     0.402     0    0.009   0.021     0.551   97.619   98.095
LGA    W    38_B      W    38_B     0.264     0    0.000   0.085     0.536  100.000   99.320
LGA    F    39_B      F    39_B     0.257     0    0.028   0.068     0.456  100.000  100.000
LGA    R    40_B      R    40_B     0.259     0    0.014   0.146     0.689  100.000   99.134
LGA    Q    41_B      Q    41_B     0.456     0    0.018   0.388     1.842  100.000   95.926
LGA    A    42_B      A    42_B     0.467     0    0.000   0.014     0.542   95.238   96.190
LGA    P    43_B      P    43_B     0.630     0    0.089   0.375     1.303   90.476   90.544
LGA    G    44_B      G    44_B     1.331     0    0.088   0.088     1.331   81.429   81.429
LGA    K    45_B      K    45_B     0.839     0    0.097   0.841     2.937   92.857   83.122
LGA    E    46_B      E    46_B     0.381     0    0.057   0.816     2.075   95.238   86.772
LGA    R    47_B      R    47_B     0.398     0    0.026   0.748     1.923  100.000   89.870
LGA    E    48_B      E    48_B     0.359     0    0.032   0.286     1.253  100.000   94.762
LGA    F    49_B      F    49_B     0.224     0    0.027   0.145     0.465  100.000  100.000
LGA    V    50_B      V    50_B     0.146     0    0.015   0.040     0.301  100.000  100.000
LGA    A    51_B      A    51_B     0.133     0    0.029   0.036     0.149  100.000  100.000
LGA    R    52_B      R    52_B     0.088     0    0.040   0.825     4.073  100.000   84.156
LGA    I    53_B      I    53_B     0.097     0    0.050   0.226     0.658  100.000   98.810
LGA    S    54_B      S    54_B     0.287     0    0.052   0.164     0.672   97.619   96.825
LGA    E    55_B      E    55_B     0.712     0    0.178   0.286     1.992   83.810   84.550
LGA    S    56_B      S    56_B     1.179     0    0.298   0.290     1.467   85.952   84.444
LGA    R    57_B      R    57_B     0.930     0    0.021   0.666     5.530   88.214   69.307
LGA    G    58_B      G    58_B     0.871     0    0.029   0.029     0.920   90.476   90.476
LGA    T    59_B      T    59_B     0.133     0    0.121   0.798     1.794   97.619   90.884
LGA    T    60_B      T    60_B     0.181     0    0.047   0.216     0.608  100.000   98.639
LGA    D    61_B      D    61_B     0.024     0    0.021   0.157     0.610  100.000   98.810
LGA    Y    62_B      Y    62_B     0.179     0    0.015   0.051     0.415  100.000  100.000
LGA    A    63_B      A    63_B     0.282     0    0.024   0.026     0.319  100.000  100.000
LGA    D    64_B      D    64_B     0.368     0    0.087   0.311     1.480  100.000   96.488
LGA    S    65_B      S    65_B     0.672     0    0.017   0.051     0.816   90.476   92.063
LGA    V    66_B      V    66_B     0.573     0    0.019   0.123     0.665   90.476   93.197
LGA    K    67_B      K    67_B     0.708     0    0.012   0.755     3.470   90.476   78.519
LGA    G    68_B      G    68_B     0.532     0    0.108   0.108     0.817   90.476   90.476
LGA    R    69_B      R    69_B     0.146     0    0.031   0.051     0.455  100.000  100.000
LGA    F    70_B      F    70_B     0.136     0    0.015   0.100     0.310  100.000  100.000
LGA    T    71_B      T    71_B     0.186     0    0.030   0.134     0.573  100.000   98.639
LGA    I    72_B      I    72_B     0.127     0    0.032   0.157     0.345  100.000  100.000
LGA    S    73_B      S    73_B     0.164     0    0.039   0.125     0.404  100.000  100.000
LGA    R    74_B      R    74_B     0.216     0    0.085   0.921     2.831  100.000   90.087
LGA    D    75_B      D    75_B     0.354     0    0.000   0.622     1.881  100.000   94.226
LGA    N    76_B      N    76_B     0.236     0    0.121   0.126     0.754   97.619   97.619
LGA    A    77_B      A    77_B     0.350     0    0.000   0.005     0.704   97.619   98.095
LGA    K    78_B      K    78_B     0.772     0    0.025   0.830     1.957   92.857   83.651
LGA    N    79_B      N    79_B     0.218     0    0.033   0.385     1.186  100.000   96.488
LGA    T    80_B      T    80_B     0.291     0    0.069   1.256     2.761  100.000   87.755
LGA    I    81_B      I    81_B     0.379     0    0.020   0.375     1.221   97.619   94.107
LGA    Y    82_B      Y    82_B     0.141     0    0.039   0.085     0.653  100.000   99.206
LGA    L    83_B      L    83_B     0.157     0    0.014   0.153     0.400  100.000  100.000
LGA    Q    84_B      Q    84_B     0.271     0    0.017   0.121     0.931  100.000   95.767
LGA    M    85_B      M    85_B     0.241     0    0.061   0.690     1.941   97.619   93.095
LGA    N    86_B      N    86_B     0.291     0    0.000   0.192     0.751  100.000   98.810
LGA    S    87_B      S    87_B     0.389     0    0.000   0.186     0.972  100.000   98.413
LGA    L    88_B      L    88_B     0.341     0    0.079   0.118     0.574   97.619   98.810
LGA    N    89_B      N    89_B     0.510     0    0.008   0.248     0.773   95.238   95.238
LGA    P    90_B      P    90_B     0.523     0    0.044   0.053     0.649   90.476   90.476
LGA    G    91_B      G    91_B     0.459     0    0.012   0.012     0.516   97.619   97.619
LGA    D    92_B      D    92_B     0.379     0    0.010   0.175     0.554   97.619   97.619
LGA    T    93_B      T    93_B     0.403     0    0.020   0.072     0.574  100.000   98.639
LGA    A    94_B      A    94_B     0.444     0    0.047   0.064     0.500  100.000   98.095
LGA    V    95_B      V    95_B     0.324     0    0.015   0.103     0.456  100.000  100.000
LGA    Y    96_B      Y    96_B     0.093     0    0.064   0.099     0.373  100.000  100.000
LGA    S    97_B      S    97_B     0.231     0    0.017   0.049     0.355  100.000  100.000
LGA    C    98_B      C    98_B     0.315     0    0.017   0.056     0.490  100.000  100.000
LGA    A    99_B      A    99_B     0.374     0    0.012   0.031     0.513   97.619   98.095
LGA    A   100_B      A   100_B     0.464     0    0.021   0.029     0.699   95.238   96.190
LGA    T   101_B      T   101_B     0.685     0    0.032   0.082     1.241   95.238   91.905
LGA    L   102_B      L   102_B     0.276     0    0.035   0.234     0.823   95.238   95.238
LGA    P   103_B      P   103_B     1.189     0    0.101   0.324     1.830   83.690   82.789
LGA    A   104_B      A   104_B     1.826     0    0.079   0.094     2.545   66.905   68.095
LGA    W   105_B      W   105_B     2.018     0    0.059   0.302     5.019   64.881   56.293
LGA    T   106_B      T   106_B     1.819     0    0.010   0.106     2.468   68.810   71.769
LGA    G   107_B      G   107_B     2.748     0    0.546   0.546     2.748   65.119   65.119
LGA    I   108_B      I   108_B     3.820     0    0.037   0.209     7.696   43.690   30.357
LGA    I   109_B      I   109_B     4.858     0    0.113   0.991     9.810   43.929   24.881
LGA    G   110_B      G   110_B     1.630     0    0.494   0.494     1.630   83.810   83.810
LGA    G   111_B      G   111_B     0.288     0    0.110   0.110     0.678   97.619   97.619
LGA    R   112_B      R   112_B     0.120     0    0.045   0.418     0.844  100.000   95.671
LGA    R   113_B      R   113_B     0.323     0    0.022   0.170     1.942  100.000   88.312
LGA    P   114_B      P   114_B     0.618     0    0.083   0.358     0.955   92.857   94.558
LGA    G   115_B      G   115_B     0.752     0    0.028   0.028     0.752   90.476   90.476
LGA    N   116_B      N   116_B     0.453     0    0.041   0.196     1.084  100.000   95.298
LGA    Y   117_B      Y   117_B     0.384     0    0.009   0.107     0.784   95.238   98.413
LGA    P   118_B      P   118_B     0.758     0    0.020   0.040     0.897   90.476   90.476
LGA    Y   119_B      Y   119_B     0.433     0    0.022   0.112     0.723   97.619   95.238
LGA    W   120_B      W   120_B     0.438     0    0.073   0.153     0.803   97.619   92.517
LGA    G   121_B      G   121_B     0.426     0    0.008   0.008     0.682   95.238   95.238
LGA    Q   122_B      Q   122_B     0.761     0    0.018   1.611     7.843   90.476   60.899
LGA    G   123_B      G   123_B     0.709     0    0.126   0.126     0.964   92.857   92.857
LGA    T   124_B      T   124_B     0.306     0    0.034   0.129     0.508  100.000   98.639
LGA    Q   125_B      Q   125_B     0.394     0    0.044   0.180     0.695  100.000   97.884
LGA    V   126_B      V   126_B     0.362     0    0.041   0.117     0.474  100.000  100.000
LGA    T   127_B      T   127_B     0.590     0    0.035   0.104     0.955   90.476   91.837
LGA    V   128_B      V   128_B     0.468     0    0.027   0.088     0.557  100.000   98.639
LGA    S   129_B      S   129_B     0.520     0    0.138   0.683     2.335   92.857   89.365

# 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):     0.908          0.905                  1.654           93.521   90.230

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    125    0.91    97.000    98.361    12.395

LGA_LOCAL      RMSD:   0.908  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.908  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.908  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.365218 * X  +  -0.761681 * Y  +  -0.535218 * Z  + 127.672997
  Y_new =  -0.875154 * X  +   0.476924 * Y  +  -0.081541 * Z  +   4.501359
  Z_new =   0.317367 * X  +   0.438618 * Y  +  -0.840769 * Z  + -20.037169 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.966143 -0.322952  2.660747   [DEG: -112.6517  -18.5038  152.4496 ]
ZXZ: -1.419607  2.569498  0.626365   [DEG:  -81.3375  147.2214   35.8881 ]
 
# END of job
