
#######################################################
#                                                     #
#                        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       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      10_A - 123_A       0.99     1.29
  LONGEST_CONTINUOUS_SEGMENT:   114      11_A - 124_A       1.00     1.29
  LCS_AVERAGE:     89.41

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     33  125  125     12   39   77  109  116  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     58  125  125     14   72  105  115  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     58  125  125      4    7   55  109  116  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    111  125  125      4   29   96  115  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    113  125  125      4   56  100  115  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    114  125  125     33   85  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    114  125  125     45   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    114  125  125     37   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    114  125  125     38   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    114  125  125     40   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    114  125  125     47   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    114  125  125     40   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    114  125  125      3   36   84  105  119  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    114  125  125     23   79  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    114  125  125     44   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    114  125  125     47   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    114  125  125     47   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    114  125  125     27   62  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    114  125  125     31   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    114  125  125     33   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    114  125  125     32   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    114  125  125     44   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    114  125  125     23   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    114  125  125     23   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    114  125  125     17   86  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    114  125  125     19   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    114  125  125      3   35   52   86  117  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    114  125  125     12   22   27   93  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    114  125  125      4    9   70  115  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    114  125  125     19   85  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    114  125  125     22   86  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    114  125  125     22   80  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    114  125  125     35   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    114  125  125     40   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    114  125  125     12   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    114  125  125     25   85  108  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    114  125  125     33   87  108  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    114  125  125     47   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    114  125  125     38   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    114  125  125     24   76  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    114  125  125     28   78  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    114  125  125     29   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    114  125  125     38   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    114  125  125     40   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    114  125  125     33   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    114  125  125     37   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    114  125  125     42   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    114  125  125     48   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    114  125  125     46   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    114  125  125     38   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    114  125  125     28   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    114  125  125     46   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    114  125  125     46   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    114  125  125     35   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    114  125  125     28   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    114  125  125     47   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    114  125  125     36   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    114  125  125     28   82  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    114  125  125     24   74  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    114  125  125     27   74  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    114  125  125     28   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    114  125  125     30   87  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    114  125  125     28   74  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    114  125  125     28   74  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    114  125  125     28   79  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    114  125  125     28   73  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    114  125  125     28   40   98  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    114  125  125     28   73  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     98  125  125     28   73  109  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     98  125  125     28   40   95  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     98  125  125     27   40   95  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     98  125  125     27   64  107  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     96  125  125     27   40   95  116  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  96.47  (  89.41  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     48     87    109    116    121    124    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  38.40  69.60  87.20  92.80  96.80  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.57   0.83   0.96   1.10   1.20   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23
GDT RMS_ALL_AT   1.57   1.39   1.31   1.30   1.24   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23

# Checking swapping
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     3.527     0    0.155   1.427     7.295   48.452   40.298
LGA    K     6_A      K     6_A     1.753     0    0.044   0.243     3.905   63.095   64.497
LGA    C     7_A      C     7_A     3.289     0    0.013   0.114     5.644   61.190   50.556
LGA    T     8_A      T     8_A     2.186     0    0.020   0.043     3.045   59.167   62.721
LGA    F     9_A      F     9_A     2.155     0    0.082   1.278     9.212   75.357   41.169
LGA    S    10_A      S    10_A     0.732     0    0.115   0.605     1.870   88.214   83.095
LGA    A    11_A      A    11_A     0.296     0    0.058   0.061     0.324  100.000  100.000
LGA    P    12_A      P    12_A     0.374     0    0.032   0.280     1.062  100.000   97.347
LGA    S    13_A      S    13_A     0.431     0    0.010   0.111     0.442  100.000  100.000
LGA    H    14_A      H    14_A     0.398     0    0.010   0.064     0.775  100.000   94.286
LGA    S    15_A      S    15_A     0.362     0    0.063   0.162     0.657  100.000   96.825
LGA    T    16_A      T    16_A     0.588     0    0.042   0.102     0.866   92.857   91.837
LGA    S    17_A      S    17_A     0.803     0    0.017   0.023     1.000   90.476   90.476
LGA    L    18_A      L    18_A     0.681     0    0.031   0.254     1.261   90.476   89.345
LGA    L    19_A      L    19_A     0.485     0    0.015   0.039     0.621   95.238   94.048
LGA    Q    20_A      Q    20_A     0.899     0    0.017   0.696     2.933   88.214   79.947
LGA    G    21_A      G    21_A     1.065     0    0.042   0.042     1.065   83.690   83.690
LGA    L    22_A      L    22_A     0.804     0    0.010   0.046     0.883   90.476   90.476
LGA    A    23_A      A    23_A     0.800     0    0.018   0.030     0.967   90.476   90.476
LGA    T    24_A      T    24_A     1.309     0    0.094   1.122     3.588   81.429   76.054
LGA    L    25_A      L    25_A     1.321     0    0.034   0.112     1.719   81.429   78.214
LGA    R    26_A      R    26_A     0.873     0    0.027   0.450     1.814   88.214   87.316
LGA    A    27_A      A    27_A     1.099     0    0.017   0.036     1.257   83.690   83.238
LGA    Q    28_A      Q    28_A     1.429     0    0.029   0.988     3.174   79.286   76.984
LGA    G    29_A      G    29_A     1.478     0    0.017   0.017     1.620   79.286   79.286
LGA    Q    30_A      Q    30_A     1.412     0    0.026   0.831     3.448   81.429   72.434
LGA    L    31_A      L    31_A     1.310     0    0.025   0.112     1.718   81.429   78.214
LGA    L    32_A      L    32_A     0.867     0    0.055   0.248     1.176   88.214   88.214
LGA    D    33_A      D    33_A     0.965     0    0.020   0.051     0.965   90.476   90.476
LGA    V    34_A      V    34_A     0.503     0    0.047   0.080     0.685   92.857   93.197
LGA    V    35_A      V    35_A     0.327     0    0.047   0.056     0.595  100.000   97.279
LGA    L    36_A      L    36_A     0.501     0    0.050   0.097     0.645   95.238   92.857
LGA    T    37_A      T    37_A     0.494     0    0.035   0.084     0.675   92.857   95.918
LGA    I    38_A      I    38_A     0.925     0    0.018   0.038     1.146   85.952   88.214
LGA    N    39_A      N    39_A     1.308     0    0.583   0.577     2.171   79.286   75.060
LGA    R    40_A      R    40_A     2.827     0    0.022   1.298     7.343   60.952   42.944
LGA    E    41_A      E    41_A     1.401     0    0.059   0.646     1.705   83.810   81.534
LGA    A    42_A      A    42_A     0.530     0    0.027   0.042     0.985   90.476   92.381
LGA    F    43_A      F    43_A     0.823     0    0.043   0.057     1.573   90.476   84.762
LGA    P    44_A      P    44_A     0.786     0    0.061   0.336     1.876   88.214   85.374
LGA    A    45_A      A    45_A     0.380     0    0.035   0.038     0.477  100.000  100.000
LGA    H    46_A      H    46_A     0.510     0    0.025   0.088     1.081   95.238   91.476
LGA    K    47_A      K    47_A     0.602     0    0.035   0.161     0.614   90.476   93.651
LGA    V    48_A      V    48_A     0.656     0    0.056   0.057     0.801   90.476   90.476
LGA    V    49_A      V    49_A     0.639     0    0.019   0.045     0.771   90.476   90.476
LGA    L    50_A      L    50_A     0.566     0    0.041   0.099     1.129   92.857   90.595
LGA    A    51_A      A    51_A     0.782     0    0.026   0.025     0.846   90.476   90.476
LGA    A    52_A      A    52_A     1.030     0    0.156   0.177     1.595   81.548   81.524
LGA    C    53_A      C    53_A     1.441     0    0.116   0.744     1.854   81.429   80.000
LGA    S    54_A      S    54_A     1.129     0    0.032   0.061     1.145   83.690   82.937
LGA    D    55_A      D    55_A     1.269     0    0.051   0.174     2.621   83.690   76.310
LGA    Y    56_A      Y    56_A     0.814     0    0.015   0.042     1.132   92.857   89.008
LGA    F    57_A      F    57_A     0.443     0    0.014   0.054     1.098   95.238   90.606
LGA    R    58_A      R    58_A     0.877     0    0.054   1.053     6.428   90.476   64.026
LGA    A    59_A      A    59_A     0.985     0    0.039   0.051     1.066   88.214   88.667
LGA    M    60_A      M    60_A     0.793     0    0.037   0.081     1.219   88.214   89.345
LGA    F    61_A      F    61_A     1.110     0    0.035   0.061     1.504   81.548   86.407
LGA    T    62_A      T    62_A     1.604     0    0.036   0.048     1.772   75.000   74.082
LGA    G    63_A      G    63_A     1.255     0    0.677   0.677     3.228   73.571   73.571
LGA    G    64_A      G    64_A     2.757     0    0.031   0.031     3.758   57.619   57.619
LGA    M    65_A      M    65_A     2.861     0    0.081   1.099     7.717   64.881   47.143
LGA    R    66_A      R    66_A     2.384     0    0.021   1.059     3.829   66.905   57.489
LGA    E    67_A      E    67_A     1.121     0    0.077   0.170     3.650   83.810   68.466
LGA    A    68_A      A    68_A     0.924     0    0.052   0.062     1.050   85.952   85.048
LGA    S    69_A      S    69_A     1.127     0    0.026   0.034     1.430   83.690   82.937
LGA    Q    70_A      Q    70_A     0.743     0    0.014   0.339     1.349   90.476   89.471
LGA    D    71_A      D    71_A     0.479     0    0.026   0.089     0.883   97.619   94.048
LGA    V    72_A      V    72_A     0.426     0    0.023   0.043     0.725   92.857   95.918
LGA    I    73_A      I    73_A     0.577     0    0.043   0.063     0.627   92.857   91.667
LGA    E    74_A      E    74_A     0.591     0    0.066   0.151     0.885   90.476   90.476
LGA    L    75_A      L    75_A     0.757     0    0.190   0.254     1.228   88.214   90.536
LGA    K    76_A      K    76_A     1.442     0    0.045   0.596     2.069   81.429   79.735
LGA    G    77_A      G    77_A     1.434     0    0.093   0.093     1.560   79.286   79.286
LGA    V    78_A      V    78_A     1.582     0    0.030   1.065     4.120   81.548   75.238
LGA    S    79_A      S    79_A     1.470     0    0.090   0.484     2.149   81.429   80.159
LGA    A    80_A      A    80_A     1.204     0    0.060   0.059     1.366   81.429   81.429
LGA    R    81_A      R    81_A     0.984     0    0.043   1.050     5.034   88.214   76.926
LGA    G    82_A      G    82_A     0.643     0    0.036   0.036     0.836   95.238   95.238
LGA    L    83_A      L    83_A     0.463     0    0.028   0.074     0.558   97.619   96.429
LGA    R    84_A      R    84_A     0.549     0    0.025   0.958     4.347   92.857   68.139
LGA    H    85_A      H    85_A     0.513     0    0.040   0.191     0.988   92.857   91.429
LGA    I    86_A      I    86_A     0.467     0    0.012   0.152     0.734   97.619   96.429
LGA    I    87_A      I    87_A     0.363     0    0.034   0.157     0.908   97.619   97.619
LGA    D    88_A      D    88_A     0.339     0    0.087   0.194     0.418  100.000  100.000
LGA    F    89_A      F    89_A     0.396     0    0.016   0.068     0.503   97.619   99.134
LGA    A    90_A      A    90_A     0.271     0    0.093   0.091     0.698   97.619   98.095
LGA    Y    91_A      Y    91_A     0.319     0    0.058   0.085     0.419  100.000  100.000
LGA    S    92_A      S    92_A     0.560     0    0.028   0.073     0.657   90.476   93.651
LGA    A    93_A      A    93_A     0.601     0    0.029   0.045     0.685   90.476   90.476
LGA    E    94_A      E    94_A     0.472     0    0.064   0.101     0.863   97.619   94.709
LGA    V    95_A      V    95_A     0.461     0    0.043   0.089     1.034   95.238   93.265
LGA    T    96_A      T    96_A     1.147     0    0.037   0.118     1.995   85.952   82.789
LGA    L    97_A      L    97_A     0.985     0    0.043   0.112     1.123   85.952   85.952
LGA    D    98_A      D    98_A     0.637     0    0.019   0.040     0.821   90.476   90.476
LGA    L    99_A      L    99_A     0.380     0    0.031   0.065     0.910   97.619   94.048
LGA    D   100_A      D   100_A     0.788     0    0.029   0.138     1.291   88.214   85.952
LGA    C   101_A      C   101_A     0.933     0    0.051   0.085     1.278   90.476   87.460
LGA    V   102_A      V   102_A     0.421     0    0.026   0.033     0.590   97.619   97.279
LGA    Q   103_A      Q   103_A     0.462     0    0.005   0.291     0.899   95.238   93.651
LGA    D   104_A      D   104_A     0.864     0    0.018   0.384     1.710   90.476   83.810
LGA    V   105_A      V   105_A     0.532     0    0.017   0.048     0.889   95.238   93.197
LGA    L   106_A      L   106_A     0.366     0    0.021   0.076     0.993   97.619   94.048
LGA    G   107_A      G   107_A     0.933     0    0.040   0.040     0.933   90.476   90.476
LGA    A   108_A      A   108_A     0.818     0    0.056   0.062     0.976   92.857   92.381
LGA    A   109_A      A   109_A     0.234     0    0.031   0.036     0.378  100.000  100.000
LGA    V   110_A      V   110_A     0.682     0    0.026   0.043     1.111   92.857   90.544
LGA    F   111_A      F   111_A     0.918     0    0.010   0.379     1.753   90.476   82.381
LGA    L   112_A      L   112_A     0.328     0    0.017   0.038     1.100  100.000   94.107
LGA    Q   113_A      Q   113_A     0.701     0    0.032   0.704     1.756   90.595   87.566
LGA    M   114_A      M   114_A     1.144     0    0.050   1.135     2.080   85.952   77.440
LGA    L   115_A      L   115_A     1.478     0    0.053   1.396     4.686   81.429   63.810
LGA    P   116_A      P   116_A     1.420     0    0.023   0.030     1.722   79.286   76.531
LGA    V   117_A      V   117_A     0.916     0    0.025   0.100     1.092   88.214   89.184
LGA    V   118_A      V   118_A     0.882     0    0.023   0.043     1.145   85.952   86.599
LGA    E   119_A      E   119_A     1.551     0    0.068   0.466     2.591   75.000   72.063
LGA    L   120_A      L   120_A     1.537     0    0.033   1.400     4.244   75.000   64.643
LGA    C   121_A      C   121_A     1.073     0    0.008   0.053     1.336   81.429   86.032
LGA    E   122_A      E   122_A     1.678     0    0.020   0.366     2.937   72.976   71.164
LGA    E   123_A      E   123_A     2.194     0    0.036   0.839     4.459   64.762   54.550
LGA    F   124_A      F   124_A     1.646     0    0.033   0.197     1.791   72.857   82.424
LGA    L   125_A      L   125_A     1.622     0    0.028   0.052     1.941   72.857   76.071
LGA    K   126_A      K   126_A     2.412     0    0.039   1.428     7.933   60.952   43.333
LGA    A   127_A      A   127_A     2.474     0    0.047   0.044     2.474   64.762   64.762
LGA    A   128_A      A   128_A     1.982     0    0.079   0.075     2.474   66.786   69.714
LGA    M   129_A      M   129_A     2.555     0    0.121   1.342     6.044   53.810   50.655

# 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):     1.227          1.219                  1.698           86.109   83.184

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.23    90.600    95.881     9.418

LGA_LOCAL      RMSD:   1.227  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.227  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.227  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.399055 * X  +  -0.914416 * Y  +  -0.067817 * Z  +  -1.500984
  Y_new =  -0.837295 * X  +  -0.393548 * Y  +   0.379548 * Z  +   0.271596
  Z_new =  -0.373753 * X  +  -0.094678 * Y  +  -0.922683 * Z  + -21.650162 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.126043  0.383052 -3.039339   [DEG:  -64.5175   21.9473 -174.1413 ]
ZXZ: -2.964780  2.745779 -1.818893   [DEG: -169.8694  157.3216 -104.2149 ]
 
# END of job
