
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      10_A - 128_A       0.99     1.17
  LONGEST_CONTINUOUS_SEGMENT:   119      11_A - 129_A       1.00     1.18
  LCS_AVERAGE:     95.14

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    115  125  125      4   49   96  114  120  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    117  125  125     23   86  108  115  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    117  125  125      4    7   86  114  120  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    118  125  125      4   42  106  115  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    118  125  125      4   64  106  115  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    119  125  125     22   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    119  125  125     47   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    119  125  125     45   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    119  125  125     45   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    119  125  125      3   42   92  115  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    119  125  125     36   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    119  125  125     38   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    119  125  125     43   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    119  125  125     38   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    119  125  125     17   67  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    119  125  125     20   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    119  125  125     43   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    119  125  125     34   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    119  125  125     25   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    119  125  125     25   88  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    119  125  125     47   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    119  125  125      3   35   52  110  119  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    119  125  125      5    6   22   62  119  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    119  125  125      5   28   87  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    119  125  125     16   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    119  125  125     16   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    119  125  125     21   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    119  125  125     44   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    119  125  125     47   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    119  125  125     22   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    119  125  125     22   87  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    119  125  125     34   88  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    119  125  125     27   83  108  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    119  125  125     38   87  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    119  125  125     22   89  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    119  125  125     30   90  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    119  125  125     43   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    119  125  125     48   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    119  125  125     48   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    119  125  125     46   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    119  125  125     30   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    119  125  125     49   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    119  125  125     42   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    119  125  125     30   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    119  125  125     50   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    119  125  125     42   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    119  125  125     30   89  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    119  125  125     30   84  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    119  125  125     30   85  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    119  125  125     30   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    119  125  125     32   92  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    119  125  125     30   84  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    119  125  125     30   78  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    119  125  125     30   89  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    119  125  125     30   78  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    119  125  125     30   56  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    119  125  125     30   71  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    119  125  125     30   78  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    119  125  125     30   56  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    119  125  125     30   51   91  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    119  125  125     30   71  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    119  125  125     30   51  110  116  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  98.38  (  95.14  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     50     92    110    116    121    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  40.00  73.60  88.00  92.80  96.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.77   0.89   1.01   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.38   1.22   1.19   1.18   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# 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     3.118     0    0.153   1.393     6.652   53.571   45.655
LGA    K     6_A      K     6_A     1.445     0    0.055   0.294     2.999   72.976   75.079
LGA    C     7_A      C     7_A     2.853     0    0.055   0.728     6.985   67.024   54.127
LGA    T     8_A      T     8_A     1.948     0    0.018   0.049     2.757   62.976   67.211
LGA    F     9_A      F     9_A     2.078     0    0.046   1.267     9.111   77.381   42.424
LGA    S    10_A      S    10_A     0.742     0    0.105   0.622     1.864   88.214   83.095
LGA    A    11_A      A    11_A     0.324     0    0.059   0.064     0.352  100.000  100.000
LGA    P    12_A      P    12_A     0.151     0    0.037   0.273     0.699  100.000   98.639
LGA    S    13_A      S    13_A     0.366     0    0.014   0.109     0.449  100.000  100.000
LGA    H    14_A      H    14_A     0.302     0    0.017   0.089     0.457  100.000  100.000
LGA    S    15_A      S    15_A     0.399     0    0.073   0.179     0.740  100.000   96.825
LGA    T    16_A      T    16_A     0.574     0    0.034   0.110     0.846   92.857   91.837
LGA    S    17_A      S    17_A     0.665     0    0.020   0.025     0.830   90.476   90.476
LGA    L    18_A      L    18_A     0.541     0    0.021   0.265     1.058   90.476   90.536
LGA    L    19_A      L    19_A     0.384     0    0.015   0.046     0.512   97.619   97.619
LGA    Q    20_A      Q    20_A     0.758     0    0.017   0.702     2.955   90.476   81.852
LGA    G    21_A      G    21_A     0.894     0    0.041   0.041     0.894   90.476   90.476
LGA    L    22_A      L    22_A     0.665     0    0.011   0.062     0.751   90.476   90.476
LGA    A    23_A      A    23_A     0.652     0    0.010   0.021     0.769   90.476   90.476
LGA    T    24_A      T    24_A     1.118     0    0.092   1.118     3.390   83.690   78.231
LGA    L    25_A      L    25_A     1.135     0    0.031   0.129     1.543   85.952   82.619
LGA    R    26_A      R    26_A     0.687     0    0.034   0.984     3.141   90.476   86.840
LGA    A    27_A      A    27_A     0.907     0    0.014   0.035     1.043   85.952   85.048
LGA    Q    28_A      Q    28_A     1.226     0    0.025   1.003     3.321   81.429   78.942
LGA    G    29_A      G    29_A     1.278     0    0.029   0.029     1.434   81.429   81.429
LGA    Q    30_A      Q    30_A     1.175     0    0.026   0.801     3.356   83.690   74.392
LGA    L    31_A      L    31_A     1.111     0    0.051   0.135     1.502   85.952   82.619
LGA    L    32_A      L    32_A     0.699     0    0.069   0.182     0.904   90.476   90.476
LGA    D    33_A      D    33_A     0.826     0    0.020   0.046     0.863   90.476   90.476
LGA    V    34_A      V    34_A     0.479     0    0.037   0.077     0.663   97.619   95.918
LGA    V    35_A      V    35_A     0.333     0    0.042   0.053     0.570  100.000   97.279
LGA    L    36_A      L    36_A     0.517     0    0.057   0.130     0.723   97.619   94.048
LGA    T    37_A      T    37_A     0.423     0    0.040   0.096     0.587   95.238   97.279
LGA    I    38_A      I    38_A     0.813     0    0.015   0.039     0.969   90.476   90.476
LGA    N    39_A      N    39_A     1.050     0    0.583   0.573     2.084   81.786   78.393
LGA    R    40_A      R    40_A     2.577     0    0.018   1.308     6.981   64.881   46.407
LGA    E    41_A      E    41_A     1.211     0    0.056   0.644     1.579   83.810   81.534
LGA    A    42_A      A    42_A     0.400     0    0.023   0.038     0.910   92.857   94.286
LGA    F    43_A      F    43_A     0.750     0    0.054   0.060     1.596   90.476   84.762
LGA    P    44_A      P    44_A     0.757     0    0.040   0.335     1.941   90.476   86.667
LGA    A    45_A      A    45_A     0.333     0    0.027   0.029     0.433  100.000  100.000
LGA    H    46_A      H    46_A     0.410     0    0.019   0.195     1.036  100.000   96.238
LGA    K    47_A      K    47_A     0.498     0    0.034   0.146     0.530  100.000   97.884
LGA    V    48_A      V    48_A     0.509     0    0.055   0.082     0.823   90.476   90.476
LGA    V    49_A      V    49_A     0.572     0    0.020   0.045     0.703   92.857   91.837
LGA    L    50_A      L    50_A     0.540     0    0.039   0.094     1.178   92.857   89.405
LGA    A    51_A      A    51_A     0.619     0    0.023   0.022     0.652   90.476   90.476
LGA    A    52_A      A    52_A     0.848     0    0.149   0.169     1.374   85.952   86.857
LGA    C    53_A      C    53_A     1.305     0    0.108   0.743     1.752   83.690   81.508
LGA    S    54_A      S    54_A     0.950     0    0.028   0.058     0.985   90.476   90.476
LGA    D    55_A      D    55_A     1.040     0    0.051   0.160     2.275   85.952   80.536
LGA    Y    56_A      Y    56_A     0.630     0    0.010   0.029     1.026   95.238   91.310
LGA    F    57_A      F    57_A     0.345     0    0.016   0.056     0.943  100.000   94.805
LGA    R    58_A      R    58_A     0.762     0    0.060   1.098     6.491   92.857   66.407
LGA    A    59_A      A    59_A     0.936     0    0.038   0.049     1.091   88.214   88.667
LGA    M    60_A      M    60_A     0.834     0    0.048   0.075     1.323   85.952   88.214
LGA    F    61_A      F    61_A     1.066     0    0.032   0.056     1.425   83.690   88.009
LGA    T    62_A      T    62_A     1.509     0    0.024   0.054     1.784   75.000   75.306
LGA    G    63_A      G    63_A     1.191     0    0.671   0.671     3.240   73.571   73.571
LGA    G    64_A      G    64_A     2.742     0    0.022   0.022     3.600   57.619   57.619
LGA    M    65_A      M    65_A     2.731     0    0.080   0.781     5.264   64.881   52.917
LGA    R    66_A      R    66_A     2.247     0    0.019   1.178     5.423   70.952   55.065
LGA    E    67_A      E    67_A     1.050     0    0.071   0.174     3.310   85.952   72.698
LGA    A    68_A      A    68_A     0.900     0    0.059   0.069     1.039   90.476   88.667
LGA    S    69_A      S    69_A     0.975     0    0.020   0.027     1.360   88.214   85.952
LGA    Q    70_A      Q    70_A     0.673     0    0.009   0.098     0.814   90.476   90.476
LGA    D    71_A      D    71_A     0.431     0    0.031   0.070     0.762   97.619   95.238
LGA    V    72_A      V    72_A     0.499     0    0.009   0.035     0.841   92.857   94.558
LGA    I    73_A      I    73_A     0.749     0    0.047   0.601     1.277   90.476   88.214
LGA    E    74_A      E    74_A     0.514     0    0.066   0.131     0.807   90.476   91.534
LGA    L    75_A      L    75_A     0.732     0    0.193   0.260     1.218   88.214   91.726
LGA    K    76_A      K    76_A     1.516     0    0.047   0.599     2.248   79.286   77.831
LGA    G    77_A      G    77_A     1.461     0    0.061   0.061     1.508   79.286   79.286
LGA    V    78_A      V    78_A     1.695     0    0.041   1.069     2.398   79.405   73.129
LGA    S    79_A      S    79_A     1.522     0    0.093   0.506     2.236   77.143   77.302
LGA    A    80_A      A    80_A     1.187     0    0.060   0.060     1.340   81.429   81.429
LGA    R    81_A      R    81_A     1.013     0    0.054   0.214     1.455   85.952   83.074
LGA    G    82_A      G    82_A     0.593     0    0.048   0.048     0.821   95.238   95.238
LGA    L    83_A      L    83_A     0.417     0    0.027   0.059     0.489  100.000  100.000
LGA    R    84_A      R    84_A     0.513     0    0.027   0.845     4.256   97.619   68.615
LGA    H    85_A      H    85_A     0.479     0    0.032   0.172     0.993   97.619   93.333
LGA    I    86_A      I    86_A     0.395     0    0.021   0.138     0.574  100.000   97.619
LGA    I    87_A      I    87_A     0.326     0    0.018   0.085     0.487  100.000  100.000
LGA    D    88_A      D    88_A     0.353     0    0.053   0.174     0.434  100.000  100.000
LGA    F    89_A      F    89_A     0.314     0    0.020   0.062     0.425  100.000  100.000
LGA    A    90_A      A    90_A     0.225     0    0.073   0.072     0.680   97.619   98.095
LGA    Y    91_A      Y    91_A     0.307     0    0.046   0.064     0.378  100.000  100.000
LGA    S    92_A      S    92_A     0.436     0    0.022   0.084     0.508   97.619   98.413
LGA    A    93_A      A    93_A     0.490     0    0.027   0.044     0.600   97.619   96.190
LGA    E    94_A      E    94_A     0.466     0    0.053   0.168     1.099  100.000   94.762
LGA    V    95_A      V    95_A     0.372     0    0.047   0.049     0.812   95.238   95.918
LGA    T    96_A      T    96_A     0.976     0    0.052   0.095     1.634   90.476   85.374
LGA    L    97_A      L    97_A     0.840     0    0.037   0.102     0.974   90.476   90.476
LGA    D    98_A      D    98_A     0.531     0    0.021   0.056     0.700   95.238   92.857
LGA    L    99_A      L    99_A     0.384     0    0.015   0.087     1.084   97.619   92.917
LGA    D   100_A      D   100_A     0.726     0    0.035   0.936     3.652   90.476   75.357
LGA    C   101_A      C   101_A     0.753     0    0.047   0.066     0.928   90.476   90.476
LGA    V   102_A      V   102_A     0.372     0    0.029   0.029     0.539   97.619   98.639
LGA    Q   103_A      Q   103_A     0.422     0    0.022   0.725     3.497   95.238   81.799
LGA    D   104_A      D   104_A     0.759     0    0.013   0.246     1.279   90.476   88.214
LGA    V   105_A      V   105_A     0.488     0    0.019   0.050     0.817   97.619   94.558
LGA    L   106_A      L   106_A     0.363     0    0.013   0.074     0.896   97.619   94.048
LGA    G   107_A      G   107_A     0.916     0    0.037   0.037     0.916   90.476   90.476
LGA    A   108_A      A   108_A     0.751     0    0.055   0.064     0.856   92.857   92.381
LGA    A   109_A      A   109_A     0.195     0    0.034   0.038     0.354  100.000  100.000
LGA    V   110_A      V   110_A     0.618     0    0.020   0.040     1.008   92.857   90.544
LGA    F   111_A      F   111_A     0.790     0    0.007   0.312     1.402   90.476   87.186
LGA    L   112_A      L   112_A     0.280     0    0.016   0.037     1.040  100.000   94.107
LGA    Q   113_A      Q   113_A     0.650     0    0.031   0.438     1.131   90.595   88.519
LGA    M   114_A      M   114_A     1.107     0    0.054   1.135     2.124   85.952   79.464
LGA    L   115_A      L   115_A     1.424     0    0.049   1.396     4.643   81.429   63.810
LGA    P   116_A      P   116_A     1.310     0    0.025   0.033     1.602   81.429   78.980
LGA    V   117_A      V   117_A     0.845     0    0.030   0.101     1.005   88.214   89.184
LGA    V   118_A      V   118_A     0.840     0    0.025   0.046     1.091   85.952   86.599
LGA    E   119_A      E   119_A     1.488     0    0.066   0.472     2.643   77.143   73.016
LGA    L   120_A      L   120_A     1.456     0    0.030   1.398     4.231   81.429   69.821
LGA    C   121_A      C   121_A     1.008     0    0.006   0.048     1.257   81.429   86.032
LGA    E   122_A      E   122_A     1.601     0    0.015   0.355     2.914   75.000   72.063
LGA    E   123_A      E   123_A     2.071     0    0.037   0.822     4.345   68.810   56.349
LGA    F   124_A      F   124_A     1.565     0    0.034   0.177     1.696   72.857   83.247
LGA    L   125_A      L   125_A     1.548     0    0.022   0.050     1.878   75.000   78.214
LGA    K   126_A      K   126_A     2.267     0    0.035   1.424     7.890   62.857   45.026
LGA    A   127_A      A   127_A     2.292     0    0.046   0.043     2.292   66.786   66.381
LGA    A   128_A      A   128_A     1.855     0    0.081   0.077     2.257   68.810   71.333
LGA    M   129_A      M   129_A     2.247     0    0.131   1.325     5.906   59.167   53.869

# 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):     1.125          1.117                  1.611           87.837   84.665

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.13    91.600    96.305    10.201

LGA_LOCAL      RMSD:   1.125  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.125  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.125  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.094292 * X  +   0.985829 * Y  +  -0.138742 * Z  +  -1.187383
  Y_new =  -0.490495 * X  +   0.075271 * Y  +   0.868187 * Z  +   0.770524
  Z_new =   0.866328 * X  +   0.149915 * Y  +   0.476447 * Z  + -20.567486 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.760717 -1.047803  0.304844   [DEG: -100.8817  -60.0347   17.4663 ]
ZXZ: -2.983126  1.074188  1.399447   [DEG: -170.9205   61.5464   80.1824 ]
 
# END of job
