
#######################################################
#                                                     #
#                        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       1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       6_A - 128_A       1.00     1.03
  LCS_AVERAGE:     98.39

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    122  125  125      4   75  107  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    123  125  125     43   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    123  125  125     18   41   91  116  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    123  125  125      4   62  105  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    123  125  125      3   79  107  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    123  125  125     34   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    123  125  125     49   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    123  125  125     59   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    123  125  125     59   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    123  125  125     59   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    123  125  125     55   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    123  125  125      3   39   93  115  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    123  125  125     24   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    123  125  125     42   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    123  125  125     34   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    123  125  125     47   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    123  125  125     41   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    123  125  125     15   66  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    123  125  125     21   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    123  125  125     36   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    123  125  125     37   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    123  125  125     27   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    123  125  125     16   91  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    123  125  125     54   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    123  125  125      3   41   77  117  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    123  125  125      5   21   77  115  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    123  125  125      5   41  105  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    123  125  125     22   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    123  125  125     25   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    123  125  125     26   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    123  125  125     49   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    123  125  125     59   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    123  125  125     41   91  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    123  125  125     11   91  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    123  125  125     41   91  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    123  125  125     39   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    123  125  125     55   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    123  125  125     51   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    123  125  125     25   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    123  125  125     30   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    123  125  125     49   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    123  125  125     54   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    123  125  125     48   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    123  125  125     49   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    123  125  125     49   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    123  125  125     30   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    123  125  125     45   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    123  125  125     31   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    123  125  125     60   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    123  125  125     39   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    123  125  125     30   70  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    123  125  125     30   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    123  125  125     35   94  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    123  125  125     30   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    123  125  125     30   61  111  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    123  125  125     30   77  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    123  125  125     30   81  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    123  125  125     30   70  111  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    123  125  125     30   48  103  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    123  125  125     29   75  111  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    122  125  125     29   48  103  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  99.46  (  98.39  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     60     94    112    118    124    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  48.00  75.20  89.60  94.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.57   0.76   0.88   1.00   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03
GDT RMS_ALL_AT   1.20   1.10   1.07   1.06   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03

# 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     2.054     0    0.135   1.388     5.747   68.810   59.524
LGA    K     6_A      K     6_A     0.767     0    0.025   0.743     2.772   75.476   73.386
LGA    C     7_A      C     7_A     2.673     0    0.011   0.135     5.041   71.071   58.968
LGA    T     8_A      T     8_A     1.867     0    0.020   0.038     2.766   64.881   65.986
LGA    F     9_A      F     9_A     1.893     0    0.089   1.282     8.897   79.405   44.459
LGA    S    10_A      S    10_A     0.835     0    0.115   0.606     1.785   88.214   83.095
LGA    A    11_A      A    11_A     0.219     0    0.072   0.076     0.361  100.000  100.000
LGA    P    12_A      P    12_A     0.287     0    0.031   0.274     0.844  100.000   98.639
LGA    S    13_A      S    13_A     0.461     0    0.023   0.106     0.600   97.619   98.413
LGA    H    14_A      H    14_A     0.458     0    0.018   0.057     0.862   97.619   93.333
LGA    S    15_A      S    15_A     0.218     0    0.075   0.169     0.605  100.000   98.413
LGA    T    16_A      T    16_A     0.608     0    0.020   0.119     0.854   92.857   91.837
LGA    S    17_A      S    17_A     0.862     0    0.027   0.048     0.978   90.476   90.476
LGA    L    18_A      L    18_A     0.692     0    0.020   0.252     1.143   90.476   89.345
LGA    L    19_A      L    19_A     0.499     0    0.015   0.042     0.579   92.857   92.857
LGA    Q    20_A      Q    20_A     0.870     0    0.017   0.727     3.066   90.476   81.058
LGA    G    21_A      G    21_A     0.988     0    0.042   0.042     0.988   90.476   90.476
LGA    L    22_A      L    22_A     0.733     0    0.010   0.075     0.815   90.476   90.476
LGA    A    23_A      A    23_A     0.693     0    0.016   0.027     0.784   90.476   90.476
LGA    T    24_A      T    24_A     1.105     0    0.084   1.115     3.402   83.690   78.231
LGA    L    25_A      L    25_A     1.102     0    0.035   0.118     1.532   85.952   82.619
LGA    R    26_A      R    26_A     0.639     0    0.031   0.262     1.564   90.476   89.827
LGA    A    27_A      A    27_A     0.802     0    0.017   0.035     0.930   90.476   90.476
LGA    Q    28_A      Q    28_A     1.068     0    0.029   0.994     3.397   83.690   79.947
LGA    G    29_A      G    29_A     1.147     0    0.024   0.024     1.257   81.429   81.429
LGA    Q    30_A      Q    30_A     1.062     0    0.021   0.800     3.231   85.952   76.296
LGA    L    31_A      L    31_A     0.971     0    0.032   0.127     1.314   88.214   85.952
LGA    L    32_A      L    32_A     0.706     0    0.052   0.230     1.076   90.476   89.345
LGA    D    33_A      D    33_A     0.807     0    0.022   0.047     0.841   90.476   90.476
LGA    V    34_A      V    34_A     0.444     0    0.041   0.078     0.618   97.619   97.279
LGA    V    35_A      V    35_A     0.268     0    0.046   0.055     0.548  100.000   98.639
LGA    L    36_A      L    36_A     0.432     0    0.050   0.107     0.591  100.000   95.238
LGA    T    37_A      T    37_A     0.376     0    0.028   0.094     0.533   95.238   97.279
LGA    I    38_A      I    38_A     0.701     0    0.019   0.035     0.845   90.476   90.476
LGA    N    39_A      N    39_A     0.958     0    0.580   0.566     1.995   86.071   82.679
LGA    R    40_A      R    40_A     2.654     0    0.011   1.319     7.091   60.952   44.113
LGA    E    41_A      E    41_A     1.185     0    0.059   0.645     1.637   83.810   81.534
LGA    A    42_A      A    42_A     0.348     0    0.023   0.041     0.830   92.857   94.286
LGA    F    43_A      F    43_A     0.766     0    0.039   0.075     1.554   90.476   85.584
LGA    P    44_A      P    44_A     0.801     0    0.060   0.344     1.986   88.214   85.374
LGA    A    45_A      A    45_A     0.411     0    0.039   0.047     0.483  100.000  100.000
LGA    H    46_A      H    46_A     0.405     0    0.027   0.082     0.877  100.000   96.190
LGA    K    47_A      K    47_A     0.473     0    0.032   0.151     0.523  100.000   98.942
LGA    V    48_A      V    48_A     0.465     0    0.053   0.056     0.672   97.619   94.558
LGA    V    49_A      V    49_A     0.517     0    0.018   0.042     0.664   92.857   94.558
LGA    L    50_A      L    50_A     0.517     0    0.034   0.095     1.146   92.857   89.405
LGA    A    51_A      A    51_A     0.570     0    0.016   0.017     0.718   90.476   90.476
LGA    A    52_A      A    52_A     0.823     0    0.145   0.164     1.343   88.214   88.667
LGA    C    53_A      C    53_A     1.341     0    0.115   0.744     1.823   83.690   81.508
LGA    S    54_A      S    54_A     0.972     0    0.033   0.061     1.008   88.214   87.460
LGA    D    55_A      D    55_A     1.049     0    0.058   0.115     2.246   85.952   79.464
LGA    Y    56_A      Y    56_A     0.669     0    0.010   0.045     0.890   95.238   92.063
LGA    F    57_A      F    57_A     0.369     0    0.019   0.059     0.915  100.000   94.805
LGA    R    58_A      R    58_A     0.697     0    0.052   1.124     5.916   92.857   71.645
LGA    A    59_A      A    59_A     0.870     0    0.038   0.047     0.953   90.476   90.476
LGA    M    60_A      M    60_A     0.711     0    0.040   0.086     1.067   88.214   90.536
LGA    F    61_A      F    61_A     0.980     0    0.049   0.090     1.384   85.952   88.831
LGA    T    62_A      T    62_A     1.441     0    0.021   0.048     1.671   79.286   80.204
LGA    G    63_A      G    63_A     1.283     0    0.677   0.677     3.370   73.571   73.571
LGA    G    64_A      G    64_A     2.153     0    0.021   0.021     2.913   67.024   67.024
LGA    M    65_A      M    65_A     2.183     0    0.077   0.282     4.909   72.976   58.690
LGA    R    66_A      R    66_A     1.847     0    0.029   1.418     6.895   77.143   56.364
LGA    E    67_A      E    67_A     0.850     0    0.047   0.164     2.660   88.214   78.095
LGA    A    68_A      A    68_A     0.799     0    0.056   0.066     0.864   90.476   90.476
LGA    S    69_A      S    69_A     0.910     0    0.015   0.019     1.359   90.476   87.460
LGA    Q    70_A      Q    70_A     0.433     0    0.014   0.092     0.732   97.619   94.709
LGA    D    71_A      D    71_A     0.197     0    0.014   0.089     0.354  100.000  100.000
LGA    V    72_A      V    72_A     0.259     0    0.020   0.039     0.550   97.619   98.639
LGA    I    73_A      I    73_A     0.414     0    0.011   0.074     0.508  100.000   97.619
LGA    E    74_A      E    74_A     0.401     0    0.061   0.163     0.701   97.619   95.767
LGA    L    75_A      L    75_A     0.577     0    0.183   0.247     1.072   90.595   95.298
LGA    K    76_A      K    76_A     1.268     0    0.039   0.602     2.056   83.690   81.693
LGA    G    77_A      G    77_A     1.359     0    0.072   0.072     1.545   79.286   79.286
LGA    V    78_A      V    78_A     1.425     0    0.032   1.059     3.982   85.952   78.639
LGA    S    79_A      S    79_A     1.251     0    0.095   0.491     1.955   83.690   83.016
LGA    A    80_A      A    80_A     1.013     0    0.056   0.056     1.159   85.952   85.048
LGA    R    81_A      R    81_A     0.831     0    0.039   0.180     1.369   90.476   87.186
LGA    G    82_A      G    82_A     0.467     0    0.036   0.036     0.667   97.619   97.619
LGA    L    83_A      L    83_A     0.313     0    0.024   0.059     0.349  100.000  100.000
LGA    R    84_A      R    84_A     0.428     0    0.023   0.864     4.031  100.000   72.035
LGA    H    85_A      H    85_A     0.387     0    0.030   0.180     0.937  100.000   95.238
LGA    I    86_A      I    86_A     0.357     0    0.018   0.158     0.774  100.000   97.619
LGA    I    87_A      I    87_A     0.326     0    0.022   0.042     0.431  100.000  100.000
LGA    D    88_A      D    88_A     0.304     0    0.046   0.177     0.395  100.000  100.000
LGA    F    89_A      F    89_A     0.297     0    0.021   0.077     0.390  100.000  100.000
LGA    A    90_A      A    90_A     0.273     0    0.080   0.079     0.718   97.619   98.095
LGA    Y    91_A      Y    91_A     0.348     0    0.060   0.067     0.406  100.000  100.000
LGA    S    92_A      S    92_A     0.534     0    0.023   0.083     0.605   90.476   93.651
LGA    A    93_A      A    93_A     0.603     0    0.026   0.043     0.679   90.476   90.476
LGA    E    94_A      E    94_A     0.482     0    0.041   0.163     1.034  100.000   94.762
LGA    V    95_A      V    95_A     0.396     0    0.049   0.054     0.839   95.238   94.558
LGA    T    96_A      T    96_A     0.869     0    0.024   0.129     1.567   90.476   86.667
LGA    L    97_A      L    97_A     0.843     0    0.049   0.107     0.987   90.476   90.476
LGA    D    98_A      D    98_A     0.518     0    0.020   0.069     0.800   95.238   92.857
LGA    L    99_A      L    99_A     0.430     0    0.027   0.089     1.030   97.619   92.917
LGA    D   100_A      D   100_A     0.692     0    0.095   0.307     1.122   90.476   88.214
LGA    C   101_A      C   101_A     0.827     0    0.050   0.069     1.029   90.476   87.460
LGA    V   102_A      V   102_A     0.384     0    0.026   0.033     0.640   97.619   97.279
LGA    Q   103_A      Q   103_A     0.497     0    0.014   0.751     3.890   95.238   78.413
LGA    D   104_A      D   104_A     0.762     0    0.009   0.355     1.504   90.476   87.143
LGA    V   105_A      V   105_A     0.539     0    0.018   0.051     0.867   95.238   93.197
LGA    L   106_A      L   106_A     0.337     0    0.011   0.073     0.890  100.000   95.238
LGA    G   107_A      G   107_A     0.851     0    0.035   0.035     0.851   90.476   90.476
LGA    A   108_A      A   108_A     0.712     0    0.052   0.058     0.888   95.238   94.286
LGA    A   109_A      A   109_A     0.244     0    0.032   0.038     0.375  100.000  100.000
LGA    V   110_A      V   110_A     0.628     0    0.019   0.038     1.026   92.857   90.544
LGA    F   111_A      F   111_A     0.807     0    0.009   0.352     1.574   90.476   85.584
LGA    L   112_A      L   112_A     0.315     0    0.015   0.035     1.093   97.619   92.917
LGA    Q   113_A      Q   113_A     0.702     0    0.027   0.401     1.167   90.595   89.524
LGA    M   114_A      M   114_A     1.213     0    0.055   1.132     2.100   83.690   76.310
LGA    L   115_A      L   115_A     1.476     0    0.050   0.169     2.280   81.429   76.131
LGA    P   116_A      P   116_A     1.302     0    0.019   0.026     1.609   81.429   78.980
LGA    V   117_A      V   117_A     0.890     0    0.026   0.099     1.043   88.214   89.184
LGA    V   118_A      V   118_A     0.844     0    0.022   0.044     1.064   85.952   87.891
LGA    E   119_A      E   119_A     1.391     0    0.065   0.453     2.381   79.286   74.815
LGA    L   120_A      L   120_A     1.395     0    0.031   1.397     4.115   81.429   69.821
LGA    C   121_A      C   121_A     0.994     0    0.008   0.054     1.203   83.690   85.952
LGA    E   122_A      E   122_A     1.475     0    0.019   0.356     2.740   77.143   74.921
LGA    E   123_A      E   123_A     1.949     0    0.033   0.831     4.318   70.833   57.249
LGA    F   124_A      F   124_A     1.474     0    0.031   0.184     1.606   79.286   85.584
LGA    L   125_A      L   125_A     1.411     0    0.025   0.050     1.670   77.143   79.286
LGA    K   126_A      K   126_A     2.063     0    0.038   1.424     7.706   66.786   48.519
LGA    A   127_A      A   127_A     2.116     0    0.049   0.047     2.127   68.810   68.000
LGA    A   128_A      A   128_A     1.723     0    0.086   0.083     2.129   70.833   72.952
LGA    M   129_A      M   129_A     2.117     0    0.102   1.331     5.963   62.976   57.798

# 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):     1.026          1.023                  1.508           89.068   85.898

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.03    92.400    96.821    11.105

LGA_LOCAL      RMSD:   1.026  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.026  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.026  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.992133 * X  +   0.082233 * Y  +   0.094397 * Z  +  -1.034505
  Y_new =   0.055885 * X  +  -0.965631 * Y  +   0.253836 * Z  +   0.437431
  Z_new =   0.112026 * X  +  -0.246564 * Y  +  -0.962630 * Z  + -19.316935 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.056268 -0.112262 -2.890848   [DEG:    3.2239   -6.4321 -165.6334 ]
ZXZ:  2.785560  2.867348  2.715128   [DEG:  159.6008  164.2869  155.5654 ]
 
# END of job
