
#######################################################
#                                                     #
#                        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       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      10_A - 124_A       1.00     1.29
  LONGEST_CONTINUOUS_SEGMENT:   115      11_A - 125_A       0.99     1.31
  LCS_AVERAGE:     91.55

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    110  125  125     15   39   73   96  114  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    110  125  125     13   83  102  112  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    110  125  125      4   44   80  105  115  125  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   25   87  111  118  125  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     14   44   87  111  118  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    115  125  125      5   82  102  113  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    115  125  125     35   90  104  114  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    115  125  125     37   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    115  125  125     59   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    115  125  125      3   53   81  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    115  125  125     41   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    115  125  125     41   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    115  125  125     15   69  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    115  125  125     37   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    115  125  125     59   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    115  125  125      3   57   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    115  125  125      4   25   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    115  125  125      8   57   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    115  125  125     15   79  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    115  125  125     15   70  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    115  125  125     15   84  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    115  125  125     36   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    115  125  125     55   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    115  125  125     32   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    115  125  125     33   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    115  125  125     62   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    115  125  125     47   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    115  125  125     10   75  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    115  125  125     30   61  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    115  125  125     30   67  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    115  125  125     33   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    115  125  125     61   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    115  125  125     55   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    115  125  125     48   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    115  125  125     50   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    115  125  125     47   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    115  125  125     63   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    115  125  125     52   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    115  125  125     36   89  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    115  125  125     45   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    115  125  125     62   90  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    115  125  125     30   83  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    115  125  125     30   41   88  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    115  125  125     28   41   62  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    115  125  125     30   41   62  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    115  125  125     30   66  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    115  125  125     30   70  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    115  125  125     30   41   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    115  125  125     30   64  101  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    115  125  125     30   73  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    115  125  125     30   66  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    115  125  125     30   41   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    115  125  125     30   68  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    115  125  125     30   69  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    105  125  125     30   41   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    102  125  125     30   58   95  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    102  125  125     30   67  104  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    101  125  125     30   58   98  117  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  97.18  (  91.55  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     63     90    104    117    121    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  50.40  72.00  83.20  93.60  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    0.34   0.51   0.76   1.02   1.08   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24
GDT RMS_ALL_AT   1.45   1.38   1.31   1.34   1.28   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24

# 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     3.671     0    0.168   1.453     7.588   48.452   38.452
LGA    K     6_A      K     6_A     1.751     0    0.040   0.234     4.574   61.190   61.693
LGA    C     7_A      C     7_A     3.571     0    0.045   0.101     6.106   57.619   46.508
LGA    T     8_A      T     8_A     2.650     0    0.010   0.040     3.641   51.905   55.238
LGA    F     9_A      F     9_A     2.667     0    0.061   1.269     9.317   67.143   36.710
LGA    S    10_A      S    10_A     1.276     0    0.103   0.610     2.273   79.286   74.444
LGA    A    11_A      A    11_A     0.557     0    0.052   0.056     0.732   95.238   96.190
LGA    P    12_A      P    12_A     0.247     0    0.034   0.284     0.607  100.000   98.639
LGA    S    13_A      S    13_A     0.493     0    0.045   0.091     0.789  100.000   96.825
LGA    H    14_A      H    14_A     0.249     0    0.012   0.084     0.629  100.000   98.095
LGA    S    15_A      S    15_A     0.211     0    0.065   0.161     0.385  100.000  100.000
LGA    T    16_A      T    16_A     0.453     0    0.041   0.103     0.674   95.238   93.197
LGA    S    17_A      S    17_A     0.592     0    0.019   0.021     0.801   92.857   93.651
LGA    L    18_A      L    18_A     0.607     0    0.021   0.244     0.786   90.476   90.476
LGA    L    19_A      L    19_A     0.569     0    0.014   0.047     0.855   90.476   90.476
LGA    Q    20_A      Q    20_A     0.759     0    0.017   0.701     3.238   90.476   79.206
LGA    G    21_A      G    21_A     0.886     0    0.045   0.045     0.886   90.476   90.476
LGA    L    22_A      L    22_A     0.754     0    0.014   0.088     0.841   90.476   90.476
LGA    A    23_A      A    23_A     0.752     0    0.011   0.025     0.827   90.476   90.476
LGA    T    24_A      T    24_A     1.097     0    0.092   1.129     3.327   83.690   78.231
LGA    L    25_A      L    25_A     1.114     0    0.031   0.123     1.400   85.952   83.690
LGA    R    26_A      R    26_A     0.725     0    0.032   0.245     1.469   90.476   89.740
LGA    A    27_A      A    27_A     0.934     0    0.016   0.034     1.063   85.952   85.048
LGA    Q    28_A      Q    28_A     1.216     0    0.027   0.983     3.429   81.429   76.984
LGA    G    29_A      G    29_A     1.221     0    0.027   0.027     1.369   81.429   81.429
LGA    Q    30_A      Q    30_A     1.178     0    0.019   0.799     3.365   83.690   74.392
LGA    L    31_A      L    31_A     1.076     0    0.020   0.109     1.492   85.952   83.690
LGA    L    32_A      L    32_A     0.684     0    0.069   0.147     0.854   90.476   90.476
LGA    D    33_A      D    33_A     0.859     0    0.021   0.044     0.890   90.476   90.476
LGA    V    34_A      V    34_A     0.486     0    0.042   0.076     0.660   97.619   95.918
LGA    V    35_A      V    35_A     0.352     0    0.053   0.066     0.635  100.000   97.279
LGA    L    36_A      L    36_A     0.299     0    0.048   0.093     0.381  100.000  100.000
LGA    T    37_A      T    37_A     0.405     0    0.028   0.080     0.526  100.000   98.639
LGA    I    38_A      I    38_A     0.607     0    0.014   0.047     0.760   90.476   91.667
LGA    N    39_A      N    39_A     0.845     0    0.583   0.580     2.337   84.048   81.667
LGA    R    40_A      R    40_A     2.340     0    0.021   1.300     6.822   68.810   50.693
LGA    E    41_A      E    41_A     1.011     0    0.058   0.638     1.434   85.952   84.444
LGA    A    42_A      A    42_A     0.335     0    0.031   0.048     0.781   92.857   94.286
LGA    F    43_A      F    43_A     0.677     0    0.053   0.086     1.239   90.476   88.009
LGA    P    44_A      P    44_A     0.754     0    0.053   0.329     1.958   88.214   85.374
LGA    A    45_A      A    45_A     0.366     0    0.036   0.036     0.466  100.000  100.000
LGA    H    46_A      H    46_A     0.418     0    0.029   0.202     0.883  100.000   94.286
LGA    K    47_A      K    47_A     0.502     0    0.038   0.111     0.563   95.238   93.651
LGA    V    48_A      V    48_A     0.563     0    0.055   0.078     0.844   90.476   90.476
LGA    V    49_A      V    49_A     0.512     0    0.023   0.043     0.615   92.857   95.918
LGA    L    50_A      L    50_A     0.426     0    0.031   0.081     0.922   95.238   94.048
LGA    A    51_A      A    51_A     0.674     0    0.036   0.037     0.720   90.476   90.476
LGA    A    52_A      A    52_A     0.915     0    0.115   0.134     1.361   85.952   86.857
LGA    C    53_A      C    53_A     1.433     0    0.162   0.716     2.110   85.952   80.238
LGA    S    54_A      S    54_A     0.934     0    0.034   0.066     1.073   88.214   88.968
LGA    D    55_A      D    55_A     0.880     0    0.047   0.180     1.883   90.476   84.881
LGA    Y    56_A      Y    56_A     0.570     0    0.010   0.035     0.692   95.238   93.651
LGA    F    57_A      F    57_A     0.299     0    0.028   0.079     0.581  100.000   98.268
LGA    R    58_A      R    58_A     0.583     0    0.038   0.990     5.462   92.857   70.909
LGA    A    59_A      A    59_A     0.792     0    0.053   0.065     0.841   90.476   90.476
LGA    M    60_A      M    60_A     0.651     0    0.041   0.080     0.943   90.476   92.857
LGA    F    61_A      F    61_A     0.809     0    0.020   0.069     1.144   88.214   89.654
LGA    T    62_A      T    62_A     1.273     0    0.059   0.101     1.359   81.429   81.429
LGA    G    63_A      G    63_A     1.279     0    0.685   0.685     3.284   73.571   73.571
LGA    G    64_A      G    64_A     1.999     0    0.018   0.018     2.673   69.048   69.048
LGA    M    65_A      M    65_A     1.946     0    0.091   0.757     4.616   72.857   61.250
LGA    R    66_A      R    66_A     1.843     0    0.036   1.087     2.750   72.857   69.221
LGA    E    67_A      E    67_A     1.071     0    0.065   0.163     1.985   81.429   79.577
LGA    A    68_A      A    68_A     1.091     0    0.079   0.090     1.091   83.690   83.238
LGA    S    69_A      S    69_A     1.020     0    0.077   0.073     1.141   83.690   82.937
LGA    Q    70_A      Q    70_A     0.766     0    0.027   0.421     1.668   90.476   87.513
LGA    D    71_A      D    71_A     0.542     0    0.030   1.020     3.465   95.238   83.393
LGA    V    72_A      V    72_A     0.324     0    0.022   0.046     0.518   97.619   98.639
LGA    I    73_A      I    73_A     0.212     0    0.037   0.035     0.246  100.000  100.000
LGA    E    74_A      E    74_A     0.384     0    0.059   0.131     0.794  100.000   95.767
LGA    L    75_A      L    75_A     0.446     0    0.197   0.258     1.254   92.976   96.488
LGA    K    76_A      K    76_A     1.033     0    0.045   0.605     1.921   88.214   85.556
LGA    G    77_A      G    77_A     1.159     0    0.074   0.074     1.461   81.429   81.429
LGA    V    78_A      V    78_A     1.165     0    0.028   1.048     3.736   88.333   81.224
LGA    S    79_A      S    79_A     1.062     0    0.085   0.493     1.708   85.952   86.111
LGA    A    80_A      A    80_A     0.894     0    0.049   0.047     1.018   90.476   88.667
LGA    R    81_A      R    81_A     0.736     0    0.042   0.246     1.176   90.476   88.831
LGA    G    82_A      G    82_A     0.406     0    0.039   0.039     0.580   97.619   97.619
LGA    L    83_A      L    83_A     0.211     0    0.024   0.061     0.268  100.000  100.000
LGA    R    84_A      R    84_A     0.400     0    0.023   1.010     4.241  100.000   72.035
LGA    H    85_A      H    85_A     0.355     0    0.037   0.180     0.881  100.000   98.095
LGA    I    86_A      I    86_A     0.407     0    0.027   0.122     0.835  100.000   97.619
LGA    I    87_A      I    87_A     0.273     0    0.032   0.049     0.414  100.000  100.000
LGA    D    88_A      D    88_A     0.298     0    0.070   0.221     0.494  100.000  100.000
LGA    F    89_A      F    89_A     0.322     0    0.020   0.195     0.615  100.000   98.268
LGA    A    90_A      A    90_A     0.260     0    0.090   0.090     0.768   97.619   98.095
LGA    Y    91_A      Y    91_A     0.296     0    0.056   0.068     0.309  100.000  100.000
LGA    S    92_A      S    92_A     0.311     0    0.037   0.076     0.543   97.619   98.413
LGA    A    93_A      A    93_A     0.649     0    0.032   0.046     0.916   90.476   90.476
LGA    E    94_A      E    94_A     0.620     0    0.079   0.146     1.251   92.857   90.529
LGA    V    95_A      V    95_A     1.193     0    0.092   1.041     3.157   79.286   75.714
LGA    T    96_A      T    96_A     1.584     0    0.040   0.100     2.187   79.286   75.374
LGA    L    97_A      L    97_A     1.178     0    0.040   0.100     1.390   81.429   81.429
LGA    D    98_A      D    98_A     0.865     0    0.017   0.032     1.452   90.476   85.952
LGA    L    99_A      L    99_A     0.778     0    0.015   0.070     1.462   90.476   85.952
LGA    D   100_A      D   100_A     1.389     0    0.019   0.919     3.961   81.429   66.905
LGA    C   101_A      C   101_A     1.198     0    0.060   0.075     1.371   85.952   84.444
LGA    V   102_A      V   102_A     0.586     0    0.031   0.035     0.866   92.857   93.197
LGA    Q   103_A      Q   103_A     0.684     0    0.021   0.777     4.297   90.476   75.608
LGA    D   104_A      D   104_A     0.900     0    0.010   0.333     1.517   90.476   88.274
LGA    V   105_A      V   105_A     0.639     0    0.022   0.047     1.109   95.238   91.905
LGA    L   106_A      L   106_A     0.400     0    0.024   0.079     1.252   95.238   90.595
LGA    G   107_A      G   107_A     0.937     0    0.035   0.035     0.937   90.476   90.476
LGA    A   108_A      A   108_A     0.681     0    0.051   0.056     0.901   95.238   94.286
LGA    A   109_A      A   109_A     0.369     0    0.032   0.039     0.594   97.619   96.190
LGA    V   110_A      V   110_A     0.889     0    0.025   0.042     1.465   90.476   86.599
LGA    F   111_A      F   111_A     0.865     0    0.008   0.392     1.882   90.476   82.381
LGA    L   112_A      L   112_A     0.464     0    0.016   0.036     1.329   92.976   89.464
LGA    Q   113_A      Q   113_A     1.254     0    0.027   0.438     1.994   79.405   81.534
LGA    M   114_A      M   114_A     2.075     0    0.072   1.136     2.572   68.810   64.940
LGA    L   115_A      L   115_A     2.602     0    0.054   1.399     5.791   59.048   47.202
LGA    P   116_A      P   116_A     2.532     0    0.023   0.030     3.090   60.952   58.299
LGA    V   117_A      V   117_A     1.601     0    0.024   0.093     1.932   77.143   77.755
LGA    V   118_A      V   118_A     1.499     0    0.023   0.061     1.777   77.143   76.531
LGA    E   119_A      E   119_A     2.299     0    0.064   0.495     3.919   64.762   58.201
LGA    L   120_A      L   120_A     1.966     0    0.038   1.399     4.398   70.833   63.452
LGA    C   121_A      C   121_A     1.295     0    0.005   0.060     1.540   77.143   80.079
LGA    E   122_A      E   122_A     2.028     0    0.017   0.347     3.656   66.786   62.434
LGA    E   123_A      E   123_A     2.492     0    0.037   0.831     4.951   64.762   51.005
LGA    F   124_A      F   124_A     1.661     0    0.036   0.166     1.919   72.857   84.113
LGA    L   125_A      L   125_A     1.679     0    0.023   0.048     2.033   70.833   75.060
LGA    K   126_A      K   126_A     2.532     0    0.040   1.423     7.792   59.048   42.487
LGA    A   127_A      A   127_A     2.337     0    0.045   0.043     2.393   66.786   66.381
LGA    A   128_A      A   128_A     1.762     0    0.087   0.084     2.167   68.810   71.333
LGA    M   129_A      M   129_A     2.286     0    0.111   1.339     5.318   59.167   55.298

# 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):     1.239          1.233                  1.688           86.336   83.399

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.24    91.400    95.877     9.336

LGA_LOCAL      RMSD:   1.239  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.239  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.239  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.070668 * X  +  -0.708420 * Y  +  -0.702244 * Z  +  -0.428626
  Y_new =  -0.294031 * X  +   0.657930 * Y  +  -0.693306 * Z  +  -3.135152
  Z_new =   0.953180 * X  +   0.255477 * Y  +  -0.161803 * Z  + -17.430643 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.334927 -1.263582  2.135369   [DEG:  -76.4857  -72.3979  122.3476 ]
ZXZ: -0.791803  1.733314  1.308926   [DEG:  -45.3670   99.3116   74.9959 ]
 
# END of job
