
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.89     0.89
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.89     0.89
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.89     0.89
  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     L     5_A     L     5_A    125  125  125      4   95  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    125  125  125     13   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    125  125  125      4    6  103  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    125  125  125     11   72  114  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    125  125  125      4   70  114  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    125  125  125     20   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    125  125  125     29   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    125  125  125      4   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    125  125  125     20   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    125  125  125     53   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    125  125  125     44   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    125  125  125     53   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    125  125  125     53   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    125  125  125     45   97  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    125  125  125      3   46   84  108  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    125  125  125     45   97  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    125  125  125     39   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    125  125  125     14   90  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    125  125  125     39   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    125  125  125     40   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    125  125  125     40   98  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    125  125  125     33   76  114  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    125  125  125     10   76  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    125  125  125     28   94  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    125  125  125     40   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    125  125  125     48   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    125  125  125     21   90  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    125  125  125     14   89  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    125  125  125      3   80  116  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    125  125  125     14   94  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    125  125  125     42   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    125  125  125     40   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    125  125  125     56   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    125  125  125     33   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    125  125  125     33   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    125  125  125     55   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    125  125  125     34   82  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    125  125  125     45   93  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    125  125  125     45   99  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    125  125  125     34   82  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    125  125  125     34   82  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    125  125  125     34   92  118  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    125  125  125     34   82  118  123  125  125  125  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     56     99    118    123    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  44.80  79.20  94.40  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.58   0.76   0.82   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89
GDT RMS_ALL_AT   0.99   0.95   0.90   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89   0.89

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     1.371     0    0.166   1.206     4.810   83.690   75.298
LGA    K     6_A      K     6_A     1.007     0    0.039   0.220     5.209   75.476   61.376
LGA    C     7_A      C     7_A     2.587     0    0.052   0.185     4.915   71.071   60.952
LGA    T     8_A      T     8_A     1.673     0    0.035   0.042     2.271   68.810   69.388
LGA    F     9_A      F     9_A     1.701     0    0.091   1.304     8.892   77.143   44.892
LGA    S    10_A      S    10_A     0.703     0    0.085   0.600     1.314   90.476   87.460
LGA    A    11_A      A    11_A     0.620     0    0.108   0.114     0.770   90.476   90.476
LGA    P    12_A      P    12_A     0.980     0    0.036   0.262     1.730   88.214   85.374
LGA    S    13_A      S    13_A     0.721     0    0.036   0.098     0.780   90.476   90.476
LGA    H    14_A      H    14_A     0.272     0    0.014   0.124     0.659  100.000   98.095
LGA    S    15_A      S    15_A     0.148     0    0.043   0.098     0.502  100.000   98.413
LGA    T    16_A      T    16_A     0.601     0    0.006   0.041     0.914   92.857   91.837
LGA    S    17_A      S    17_A     0.780     0    0.027   0.041     0.860   90.476   90.476
LGA    L    18_A      L    18_A     0.703     0    0.015   0.193     1.097   90.476   89.345
LGA    L    19_A      L    19_A     0.587     0    0.020   0.055     0.747   90.476   90.476
LGA    Q    20_A      Q    20_A     0.859     0    0.006   0.716     3.239   90.476   80.159
LGA    G    21_A      G    21_A     0.909     0    0.007   0.007     0.965   90.476   90.476
LGA    L    22_A      L    22_A     0.760     0    0.015   0.066     0.858   90.476   90.476
LGA    A    23_A      A    23_A     0.811     0    0.007   0.009     0.881   90.476   90.476
LGA    T    24_A      T    24_A     1.079     0    0.072   1.147     3.400   83.690   78.231
LGA    L    25_A      L    25_A     1.074     0    0.013   0.127     1.368   83.690   82.560
LGA    R    26_A      R    26_A     0.856     0    0.012   0.187     1.017   88.214   90.519
LGA    A    27_A      A    27_A     0.957     0    0.005   0.013     1.074   85.952   85.048
LGA    Q    28_A      Q    28_A     1.146     0    0.008   0.916     3.332   81.429   76.984
LGA    G    29_A      G    29_A     1.216     0    0.024   0.024     1.246   81.429   81.429
LGA    Q    30_A      Q    30_A     1.079     0    0.026   0.871     3.310   85.952   77.143
LGA    L    31_A      L    31_A     0.970     0    0.084   0.138     1.262   88.214   85.952
LGA    L    32_A      L    32_A     0.574     0    0.036   0.164     0.681   90.476   90.476
LGA    D    33_A      D    33_A     0.648     0    0.061   0.089     0.791   90.476   94.048
LGA    V    34_A      V    34_A     0.436     0    0.008   0.075     0.631   97.619   97.279
LGA    V    35_A      V    35_A     0.353     0    0.034   0.032     0.504  100.000   98.639
LGA    L    36_A      L    36_A     0.493     0    0.057   0.107     0.579   95.238   92.857
LGA    T    37_A      T    37_A     0.583     0    0.019   0.037     0.773   90.476   91.837
LGA    I    38_A      I    38_A     0.932     0    0.036   0.047     1.090   85.952   88.214
LGA    N    39_A      N    39_A     1.277     0    0.593   0.576     2.226   77.262   74.048
LGA    R    40_A      R    40_A     2.838     0    0.038   1.309     7.207   60.952   42.511
LGA    E    41_A      E    41_A     1.287     0    0.066   0.636     1.562   83.810   82.540
LGA    A    42_A      A    42_A     0.483     0    0.022   0.031     0.842   92.857   94.286
LGA    F    43_A      F    43_A     0.747     0    0.057   0.090     1.403   90.476   86.364
LGA    P    44_A      P    44_A     0.600     0    0.041   0.292     1.583   90.476   87.959
LGA    A    45_A      A    45_A     0.230     0    0.033   0.039     0.329  100.000  100.000
LGA    H    46_A      H    46_A     0.551     0    0.028   0.081     0.844   92.857   91.429
LGA    K    47_A      K    47_A     0.502     0    0.035   0.080     0.681   97.619   93.651
LGA    V    48_A      V    48_A     0.442     0    0.040   0.056     0.654   97.619   94.558
LGA    V    49_A      V    49_A     0.426     0    0.011   0.018     0.569   97.619   97.279
LGA    L    50_A      L    50_A     0.393     0    0.010   0.056     0.887   97.619   95.238
LGA    A    51_A      A    51_A     0.500     0    0.051   0.051     0.869   95.238   96.190
LGA    A    52_A      A    52_A     0.696     0    0.088   0.099     1.162   88.214   88.667
LGA    C    53_A      C    53_A     1.114     0    0.126   0.722     1.702   88.214   84.524
LGA    S    54_A      S    54_A     0.673     0    0.036   0.055     0.706   90.476   90.476
LGA    D    55_A      D    55_A     0.563     0    0.028   0.108     1.629   95.238   88.393
LGA    Y    56_A      Y    56_A     0.394     0    0.010   0.047     0.821  100.000   94.444
LGA    F    57_A      F    57_A     0.477     0    0.021   0.040     0.632   97.619   93.939
LGA    R    58_A      R    58_A     0.433     0    0.010   1.178     7.017   97.619   71.861
LGA    A    59_A      A    59_A     0.517     0    0.020   0.020     0.656   92.857   94.286
LGA    M    60_A      M    60_A     0.657     0    0.029   0.109     0.911   90.476   91.667
LGA    F    61_A      F    61_A     0.839     0    0.039   0.060     1.187   85.952   88.831
LGA    T    62_A      T    62_A     1.192     0    0.021   0.086     1.363   81.429   81.429
LGA    G    63_A      G    63_A     1.295     0    0.654   0.654     3.352   73.571   73.571
LGA    G    64_A      G    64_A     1.643     0    0.022   0.022     2.003   72.976   72.976
LGA    M    65_A      M    65_A     1.172     0    0.078   0.247     2.973   83.690   76.369
LGA    R    66_A      R    66_A     1.012     0    0.032   0.829     2.161   85.952   79.264
LGA    E    67_A      E    67_A     0.505     0    0.019   0.135     1.169   90.476   89.524
LGA    A    68_A      A    68_A     0.437     0    0.027   0.027     0.501  100.000   98.095
LGA    S    69_A      S    69_A     0.576     0    0.047   0.047     0.727   95.238   93.651
LGA    Q    70_A      Q    70_A     0.171     0    0.035   0.054     0.309  100.000  100.000
LGA    D    71_A      D    71_A     0.209     0    0.043   0.186     0.619  100.000   97.619
LGA    V    72_A      V    72_A     0.325     0    0.016   0.051     0.535   97.619   98.639
LGA    I    73_A      I    73_A     0.521     0    0.013   0.050     0.579   92.857   92.857
LGA    E    74_A      E    74_A     0.712     0    0.045   0.045     1.366   90.476   86.455
LGA    L    75_A      L    75_A     0.608     0    0.198   0.232     1.067   88.214   92.917
LGA    K    76_A      K    76_A     1.367     0    0.090   0.627     1.711   81.429   80.529
LGA    G    77_A      G    77_A     1.481     0    0.100   0.100     1.650   77.143   77.143
LGA    V    78_A      V    78_A     1.619     0    0.072   1.138     2.671   81.548   73.265
LGA    S    79_A      S    79_A     1.347     0    0.115   0.495     2.031   83.690   81.667
LGA    A    80_A      A    80_A     1.116     0    0.034   0.039     1.383   85.952   85.048
LGA    R    81_A      R    81_A     0.801     0    0.005   0.271     1.154   90.476   91.385
LGA    G    82_A      G    82_A     0.539     0    0.012   0.012     0.702   95.238   95.238
LGA    L    83_A      L    83_A     0.396     0    0.008   0.056     0.473  100.000  100.000
LGA    R    84_A      R    84_A     0.511     0    0.040   1.221     6.290   95.238   63.766
LGA    H    85_A      H    85_A     0.365     0    0.020   0.127     0.887  100.000   95.238
LGA    I    86_A      I    86_A     0.332     0    0.009   0.099     0.455  100.000  100.000
LGA    I    87_A      I    87_A     0.345     0    0.011   0.074     0.780  100.000   95.238
LGA    D    88_A      D    88_A     0.382     0    0.029   0.108     0.765  100.000   95.238
LGA    F    89_A      F    89_A     0.317     0    0.009   0.081     0.362  100.000  100.000
LGA    A    90_A      A    90_A     0.172     0    0.030   0.031     0.523   97.619   98.095
LGA    Y    91_A      Y    91_A     0.206     0    0.039   0.045     0.301  100.000  100.000
LGA    S    92_A      S    92_A     0.421     0    0.036   0.043     0.602  100.000   96.825
LGA    A    93_A      A    93_A     0.458     0    0.086   0.080     0.621   97.619   96.190
LGA    E    94_A      E    94_A     0.451     0    0.049   0.133     1.179   97.619   92.646
LGA    V    95_A      V    95_A     0.421     0    0.048   0.976     2.633   95.238   86.122
LGA    T    96_A      T    96_A     0.798     0    0.028   0.059     1.405   90.476   86.599
LGA    L    97_A      L    97_A     0.639     0    0.009   0.068     0.781   90.476   90.476
LGA    D    98_A      D    98_A     0.447     0    0.033   0.048     0.617   97.619   94.048
LGA    L    99_A      L    99_A     0.333     0    0.011   0.080     0.708  100.000   98.810
LGA    D   100_A      D   100_A     0.659     0    0.080   0.912     3.584   90.476   76.310
LGA    C   101_A      C   101_A     0.535     0    0.039   0.045     0.711   92.857   92.063
LGA    V   102_A      V   102_A     0.356     0    0.021   0.073     0.443  100.000  100.000
LGA    Q   103_A      Q   103_A     0.309     0    0.012   0.793     3.643  100.000   84.233
LGA    D   104_A      D   104_A     0.489     0    0.013   0.246     1.136  100.000   94.107
LGA    V   105_A      V   105_A     0.288     0    0.015   0.026     0.588  100.000   98.639
LGA    L   106_A      L   106_A     0.266     0    0.006   0.047     0.642  100.000   96.429
LGA    G   107_A      G   107_A     0.702     0    0.036   0.036     0.702   92.857   92.857
LGA    A   108_A      A   108_A     0.547     0    0.045   0.046     0.662   95.238   94.286
LGA    A   109_A      A   109_A     0.107     0    0.018   0.017     0.261  100.000  100.000
LGA    V   110_A      V   110_A     0.448     0    0.011   0.024     0.717  100.000   95.918
LGA    F   111_A      F   111_A     0.540     0    0.020   0.434     1.473   97.619   88.961
LGA    L   112_A      L   112_A     0.296     0    0.014   0.055     1.082   97.619   92.917
LGA    Q   113_A      Q   113_A     0.569     0    0.042   0.221     0.908   92.857   94.709
LGA    M   114_A      M   114_A     0.940     0    0.034   1.107     2.179   90.476   82.857
LGA    L   115_A      L   115_A     1.025     0    0.039   0.194     1.985   85.952   81.548
LGA    P   116_A      P   116_A     0.733     0    0.048   0.077     0.957   90.476   90.476
LGA    V   117_A      V   117_A     0.586     0    0.012   0.078     0.659   90.476   91.837
LGA    V   118_A      V   118_A     0.495     0    0.006   0.069     0.714   92.857   94.558
LGA    E   119_A      E   119_A     0.929     0    0.016   0.360     1.650   88.214   83.492
LGA    L   120_A      L   120_A     0.975     0    0.048   1.409     3.841   85.952   72.262
LGA    C   121_A      C   121_A     0.758     0    0.016   0.038     0.876   90.476   92.063
LGA    E   122_A      E   122_A     1.050     0    0.030   0.168     1.459   83.690   84.444
LGA    E   123_A      E   123_A     1.488     0    0.007   0.816     3.616   81.429   65.767
LGA    F   124_A      F   124_A     1.090     0    0.026   0.111     1.232   81.429   88.918
LGA    L   125_A      L   125_A     0.986     0    0.005   0.061     1.203   85.952   88.214
LGA    K   126_A      K   126_A     1.503     0    0.023   1.407     7.340   75.000   55.291
LGA    A   127_A      A   127_A     1.512     0    0.018   0.020     1.523   77.143   76.286
LGA    A   128_A      A   128_A     1.102     0    0.016   0.016     1.324   81.429   83.238
LGA    M   129_A      M   129_A     1.560     0    0.015   1.311     6.046   72.976   64.405

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     0.887          0.891                  1.411           90.522   87.314

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    0.89    94.400    97.828    12.660

LGA_LOCAL      RMSD:   0.887  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.887  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.887  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.344340 * X  +  -0.698112 * Y  +  -0.627750 * Z  +  -1.328310
  Y_new =  -0.796075 * X  +  -0.571561 * Y  +   0.198953 * Z  +   0.795275
  Z_new =  -0.497689 * X  +   0.431228 * Y  +  -0.752561 * Z  + -20.342657 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.162550  0.520932  2.621252   [DEG:  -66.6092   29.8472  150.1867 ]
ZXZ: -1.877713  2.422739 -0.856823   [DEG: -107.5850  138.8127  -49.0923 ]
 
# END of job
