
#######################################################
#                                                     #
#                        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 (  974),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       5_B - 105_B       0.99     1.88
  LCS_AVERAGE:     66.84

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     Q     5_B     Q     5_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    101  125  125     52   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    101  125  125      4   86  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    101  125  125     48   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    101  125  125     48   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    101  125  125     56   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    101  125  125     35   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    101  125  125     35   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    101  125  125     40   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    101  125  125     18   97  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    101  125  125      3   17   32   71  111  114  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    101  125  125     35   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    101  125  125     41   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    101  125  125     41   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    101  125  125     58   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    101  125  125     20   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    101  125  125      8   75  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    101  125  125      8   95  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    101  125  125     35   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    101  125  125      9   65  108  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    101  125  125     30   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    101  125  125     18   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    101  125  125      3    3   91  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    101  125  125     58   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    101  125  125     58   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    101  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    101  125  125     23   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    101  125  125     23   84  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    101  125  125     39   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    101  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    101  125  125     20   95  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    101  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    101  125  125     27   95  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    101  125  125     20   92  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    101  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    101  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    101  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    101  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    101  125  125      4   66  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    101  125  125      4    6   12   34  111  114  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    101  125  125      3   27   80  110  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    101  125  125      4   29   84  110  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      9  125  125      9   27   97  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      3  125  125      3    4    4   12   12   80  115  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3   11   34   95  112  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3   10   19   39   86  106  115  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      5  125  125      5    5    5    6   10   14   21   30   82  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      5  125  125      5    5    5    6    6    9   83  116  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      5  125  125      5    5    5    9   71  113  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      5  125  125      5    5    5   17   64   87  114  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      5  125  125      5    5    6   17   27   87  114  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      4  125  125      3    3    4   17   25   44  112  119  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125     17   90  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     57   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     30   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     53   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     56   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     60   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     59   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125     48   99  109  112  114  115  117  121  123  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.95  (  66.84  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     99    109    112    114    115    117    121    123    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  48.00  79.20  87.20  89.60  91.20  92.00  93.60  96.80  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.64   0.75   0.86   0.94   1.06   1.42   1.58   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.93   1.90   1.93   1.90   1.87   1.84   1.84   1.79   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.306     0    0.633   1.027     8.721   88.810   50.952
LGA    L     6_B      L     6_B     0.336     0    0.042   0.195     0.919  100.000   97.619
LGA    V     7_B      V     7_B     0.299     0    0.072   0.858     2.363  100.000   91.088
LGA    E     8_B      E     8_B     0.341     0    0.044   0.502     2.482   97.619   89.788
LGA    S     9_B      S     9_B     0.558     0    0.060   0.524     1.715   97.619   92.302
LGA    G    10_B      G    10_B     0.329     0    0.679   0.679     2.959   86.905   86.905
LGA    G    11_B      G    11_B     1.221     0    0.047   0.047     1.440   85.952   85.952
LGA    G    12_B      G    12_B     1.145     0    0.047   0.047     1.145   88.214   88.214
LGA    L    13_B      L    13_B     1.247     0    0.033   0.235     2.192   81.429   78.274
LGA    V    14_B      V    14_B     0.945     0    0.076   1.144     2.799   88.214   80.612
LGA    Q    15_B      Q    15_B     0.697     0    0.026   1.316     5.184   90.476   73.175
LGA    A    16_B      A    16_B     0.531     0    0.048   0.059     0.561   92.857   92.381
LGA    G    17_B      G    17_B     0.895     0    0.066   0.066     0.983   90.476   90.476
LGA    G    18_B      G    18_B     0.932     0    0.141   0.141     1.527   86.071   86.071
LGA    S    19_B      S    19_B     0.906     0    0.026   0.733     1.477   92.857   89.048
LGA    L    20_B      L    20_B     0.403     0    0.069   1.272     2.972   90.595   84.345
LGA    G    21_B      G    21_B     0.682     0    0.124   0.124     0.838   90.476   90.476
LGA    L    22_B      L    22_B     0.232     0    0.029   0.071     0.330  100.000  100.000
LGA    S    23_B      S    23_B     0.410     0    0.066   0.473     1.876  100.000   95.476
LGA    C    24_B      C    24_B     0.529     0    0.017   0.813     2.723   95.238   88.095
LGA    A    25_B      A    25_B     0.566     0    0.033   0.031     0.588   92.857   92.381
LGA    A    26_B      A    26_B     0.465     0    0.009   0.021     0.637   92.857   92.381
LGA    S    27_B      S    27_B     0.483     0    0.150   0.237     2.572   84.643   82.143
LGA    G    28_B      G    28_B     1.312     0    0.059   0.059     2.227   75.357   75.357
LGA    R    29_B      R    29_B     3.909     0    0.498   1.062    12.860   50.238   21.732
LGA    T    30_B      T    30_B     0.769     0    0.071   0.175     2.937   88.333   79.524
LGA    F    31_B      F    31_B     0.967     0    0.134   1.333     6.430   90.476   58.615
LGA    S    32_B      S    32_B     0.765     0    0.039   0.127     1.117   88.214   85.952
LGA    N    33_B      N    33_B     0.788     0    0.028   1.121     3.532   90.476   82.321
LGA    Y    34_B      Y    34_B     0.548     0    0.096   0.134     0.956   90.476   93.651
LGA    V    35_B      V    35_B     0.371     0    0.042   0.146     0.662   95.238   95.918
LGA    M    36_B      M    36_B     0.883     0    0.026   0.211     1.033   90.476   90.536
LGA    A    37_B      A    37_B     0.834     0    0.024   0.032     1.004   88.214   88.667
LGA    W    38_B      W    38_B     0.590     0    0.000   0.281     1.363   90.476   87.925
LGA    F    39_B      F    39_B     0.531     0    0.033   0.078     0.955   97.619   93.074
LGA    R    40_B      R    40_B     0.482     0    0.068   0.460     1.531   95.238   88.139
LGA    Q    41_B      Q    41_B     0.804     0    0.049   0.201     1.458   90.476   87.460
LGA    A    42_B      A    42_B     0.938     0    0.042   0.037     1.127   85.952   86.857
LGA    P    43_B      P    43_B     1.350     0    0.109   0.366     1.891   81.429   80.204
LGA    G    44_B      G    44_B     2.085     0    0.042   0.042     2.085   68.810   68.810
LGA    K    45_B      K    45_B     1.792     0    0.064   0.889     4.635   77.143   64.444
LGA    E    46_B      E    46_B     1.078     0    0.046   0.825     3.359   81.429   70.794
LGA    R    47_B      R    47_B     0.916     0    0.059   0.386     2.354   88.214   81.645
LGA    E    48_B      E    48_B     0.658     0    0.020   0.631     2.080   90.476   87.619
LGA    F    49_B      F    49_B     0.613     0    0.049   0.132     0.968   95.238   92.208
LGA    V    50_B      V    50_B     0.383     0    0.071   0.109     0.528   97.619   98.639
LGA    A    51_B      A    51_B     0.535     0    0.055   0.056     0.560   97.619   96.190
LGA    R    52_B      R    52_B     0.558     0    0.037   1.257     6.475   95.238   75.238
LGA    I    53_B      I    53_B     0.510     0    0.073   0.257     1.225   95.238   91.726
LGA    S    54_B      S    54_B     0.624     0    0.070   0.228     1.294   90.595   90.556
LGA    E    55_B      E    55_B     1.706     0    0.200   1.336     8.680   75.119   46.296
LGA    S    56_B      S    56_B     0.950     0    0.546   0.697     4.421   76.429   69.286
LGA    R    57_B      R    57_B     0.831     0    0.725   0.932     8.149   70.476   51.429
LGA    G    58_B      G    58_B     1.948     0    0.145   0.145     2.750   71.071   71.071
LGA    T    59_B      T    59_B     0.617     0    0.078   0.914     2.634   92.857   83.401
LGA    T    60_B      T    60_B     0.196     0    0.026   0.242     0.591  100.000   97.279
LGA    D    61_B      D    61_B     0.136     0    0.036   0.765     3.558  100.000   84.940
LGA    Y    62_B      Y    62_B     0.424     0    0.053   0.095     0.756   95.238   94.444
LGA    A    63_B      A    63_B     0.733     0    0.024   0.029     0.909   90.476   90.476
LGA    D    64_B      D    64_B     1.308     0    0.037   0.157     2.027   81.429   77.202
LGA    S    65_B      S    65_B     1.476     0    0.068   0.150     1.634   79.286   78.571
LGA    V    66_B      V    66_B     1.217     0    0.052   0.135     1.241   81.429   81.429
LGA    K    67_B      K    67_B     1.063     0    0.007   0.921     4.873   81.429   66.614
LGA    G    68_B      G    68_B     1.533     0    0.094   0.094     1.865   77.143   77.143
LGA    R    69_B      R    69_B     0.789     0    0.021   1.379     4.577   90.476   73.333
LGA    F    70_B      F    70_B     0.422     0    0.041   0.133     1.295   97.619   91.472
LGA    T    71_B      T    71_B     0.300     0    0.036   0.097     0.434  100.000  100.000
LGA    I    72_B      I    72_B     0.426     0    0.027   0.172     0.705  100.000   97.619
LGA    S    73_B      S    73_B     0.269     0    0.037   0.080     0.454  100.000  100.000
LGA    R    74_B      R    74_B     0.300     0    0.033   1.439     6.348  100.000   73.896
LGA    D    75_B      D    75_B     0.080     0    0.074   0.692     1.549  100.000   93.214
LGA    N    76_B      N    76_B     0.297     0    0.105   1.074     4.051   97.619   80.298
LGA    A    77_B      A    77_B     0.310     0    0.069   0.077     0.343  100.000  100.000
LGA    K    78_B      K    78_B     0.395     0    0.043   0.230     0.615  100.000   97.884
LGA    N    79_B      N    79_B     0.325     0    0.019   0.436     1.684  100.000   95.417
LGA    T    80_B      T    80_B     0.440     0    0.065   0.301     0.759   97.619   95.918
LGA    I    81_B      I    81_B     0.563     0    0.055   1.536     4.184   97.619   81.012
LGA    Y    82_B      Y    82_B     0.324     0    0.046   0.124     0.907  100.000   96.032
LGA    L    83_B      L    83_B     0.422     0    0.035   0.196     0.602  100.000   98.810
LGA    Q    84_B      Q    84_B     0.458     0    0.037   0.079     1.000   97.619   93.704
LGA    M    85_B      M    85_B     0.497     0    0.062   0.685     1.874   97.619   91.845
LGA    N    86_B      N    86_B     0.464     0    0.000   0.313     0.638   97.619   97.619
LGA    S    87_B      S    87_B     0.203     0    0.024   0.150     0.596   97.619   96.825
LGA    L    88_B      L    88_B     0.136     0    0.062   0.085     0.269  100.000  100.000
LGA    N    89_B      N    89_B     0.228     0    0.055   0.962     3.997   95.238   80.536
LGA    P    90_B      P    90_B     1.307     0    0.065   0.086     1.541   79.286   81.497
LGA    G    91_B      G    91_B     1.520     0    0.026   0.026     1.520   79.286   79.286
LGA    D    92_B      D    92_B     0.851     0    0.032   0.253     1.052   88.214   90.536
LGA    T    93_B      T    93_B     0.961     0    0.042   0.114     1.097   90.476   89.184
LGA    A    94_B      A    94_B     0.923     0    0.049   0.073     1.001   90.476   88.667
LGA    V    95_B      V    95_B     0.547     0    0.043   0.116     0.732   90.476   90.476
LGA    Y    96_B      Y    96_B     0.262     0    0.033   0.082     0.542  100.000   98.413
LGA    S    97_B      S    97_B     0.464     0    0.063   0.683     1.643  100.000   93.889
LGA    C    98_B      C    98_B     0.503     0    0.031   0.834     2.828   92.857   86.508
LGA    A    99_B      A    99_B     0.698     0    0.035   0.049     0.837   90.476   90.476
LGA    A   100_B      A   100_B     0.788     0    0.037   0.035     0.788   90.476   90.476
LGA    T   101_B      T   101_B     0.729     0    0.129   0.863     2.280   90.476   82.993
LGA    L   102_B      L   102_B     1.692     0    0.036   1.015     4.760   77.262   63.452
LGA    P   103_B      P   103_B     3.866     0    0.680   0.621     5.462   40.714   37.687
LGA    A   104_B      A   104_B     2.777     0    0.149   0.155     3.119   55.357   55.714
LGA    W   105_B      W   105_B     2.570     0    0.223   0.471     3.837   55.595   63.299
LGA    T   106_B      T   106_B     2.325     0    0.664   0.593     6.379   45.952   56.599
LGA    G   107_B      G   107_B     4.928     0    0.080   0.080     4.928   37.500   37.500
LGA    I   108_B      I   108_B     3.847     0    0.196   0.299     4.882   35.833   43.810
LGA    I   109_B      I   109_B     5.913     0    0.566   1.468    11.020   23.810   16.607
LGA    G   110_B      G   110_B     7.776     0    0.581   0.581     7.776   11.905   11.905
LGA    G   111_B      G   111_B     5.520     0    0.022   0.022     6.068   28.214   28.214
LGA    R   112_B      R   112_B     3.734     0    0.156   0.879     5.961   34.881   34.242
LGA    R   113_B      R   113_B     5.475     0    0.295   0.750     9.954   28.929   13.463
LGA    P   114_B      P   114_B     5.328     0    0.013   0.019     5.701   25.000   24.150
LGA    G   115_B      G   115_B     6.191     0    0.449   0.449     6.191   30.238   30.238
LGA    N   116_B      N   116_B     1.202     0    0.591   0.989     6.875   79.881   53.571
LGA    Y   117_B      Y   117_B     0.833     0    0.096   0.350     1.200   90.476   88.254
LGA    P   118_B      P   118_B     0.719     0    0.038   0.084     0.790   90.476   91.837
LGA    Y   119_B      Y   119_B     0.482     0    0.027   0.198     0.818   95.238   93.651
LGA    W   120_B      W   120_B     0.558     0    0.047   0.239     1.318   90.476   90.578
LGA    G   121_B      G   121_B     0.555     0    0.126   0.126     1.021   90.595   90.595
LGA    Q   122_B      Q   122_B     0.508     0    0.079   1.142     4.880   92.857   75.608
LGA    G   123_B      G   123_B     0.628     0    0.075   0.075     1.086   88.214   88.214
LGA    T   124_B      T   124_B     0.494     0    0.039   0.989     2.579  100.000   89.864
LGA    Q   125_B      Q   125_B     0.554     0    0.050   0.313     0.874   90.476   94.709
LGA    V   126_B      V   126_B     0.741     0    0.037   0.144     1.105   90.476   90.544
LGA    T   127_B      T   127_B     0.925     0    0.088   0.148     1.348   90.476   87.891
LGA    V   128_B      V   128_B     0.831     0    0.103   0.123     0.918   90.476   90.476
LGA    S   129_B      S   129_B     1.002     0    0.145   0.629     2.547   77.381   77.778

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.768          1.776                  2.377           84.726   79.999

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    121    1.42    91.400    94.993     7.980

LGA_LOCAL      RMSD:   1.416  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.790  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.768  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.552170 * X  +   0.816249 * Y  +  -0.169841 * Z  + 124.982674
  Y_new =   0.726319 * X  +  -0.570965 * Y  +  -0.382700 * Z  +   4.426243
  Z_new =  -0.409352 * X  +   0.087957 * Y  +  -0.908127 * Z  +   4.116890 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.920780  0.421744  3.045038   [DEG:   52.7568   24.1641  174.4678 ]
ZXZ: -0.417683  2.709585 -1.359146   [DEG:  -23.9315  155.2478  -77.8733 ]
 
# END of job
