
#######################################################
#                                                     #
#                        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  118 (  884),  selected  118 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_C - 129_C       1.49     1.49
  LCS_AVERAGE:     97.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_C - 129_C       1.49     1.49
  LCS_AVERAGE:     97.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      51_C - 111_C       0.99     1.54
  LCS_AVERAGE:     42.04

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     T    12_B     T    12_C     13  118  118      7   19   34   92  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    13_B     D    13_C     34  118  118      7   21   73  106  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    14_B     K    14_C     35  118  118      7   40   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    15_B     L    15_C     35  118  118      7   40   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    16_B     W    16_C     35  118  118      7   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    17_B     Y    17_C     35  118  118     15   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    18_B     I    18_C     35  118  118     15   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    19_B     L    19_C     35  118  118     14   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    20_B     Q    20_C     35  118  118      5   27   48  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    21_B     E    21_C     35  118  118      7   37   77  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    22_B     L    22_C     35  118  118     13   48   86  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    23_B     T    23_C     35  118  118     13   51   89  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    24_B     S    24_C     35  118  118     13   54   89  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    25_B     N    25_C     35  118  118     13   55   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R    26_B     R    26_C     35  118  118     13   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    27_B     G    27_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    28_B     D    28_C     35  118  118     15   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    29_B     I    29_C     35  118  118     15   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    30_B     Q    30_C     35  118  118     17   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    31_B     G    31_C     35  118  118     17   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C    32_B     C    32_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    33_B     T    33_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    34_B     I    34_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    35_B     V    35_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    36_B     T    36_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    37_B     T    37_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    38_B     Q    38_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_C     35  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    40_B     L    40_C     35  118  118     24   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    41_B     P    41_C     35  118  118     28   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    43_B     T    43_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    44_B     S    44_C     35  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_C     35  118  118      8   49   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    46_B     L    46_C     35  118  118      3   53   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    47_B     A    47_C     35  118  118      3   16   65  101  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    48_B     D    48_C     35  118  118      3   51   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    49_B     D    49_C      4  118  118      3    4    5   17   30   61   79  102  110  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    50_B     A    50_C      4  118  118      3    4    5   15   36   58   92  113  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    51_B     N    51_C     61  118  118     13   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    52_B     V    52_C     61  118  118     13   54   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    53_B     S    53_C     61  118  118     12   47   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    54_B     L    54_C     61  118  118     12   54   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    55_B     I    55_C     61  118  118     13   54   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    56_B     S    56_C     61  118  118     13   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    57_B     A    57_C     61  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_C     61  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    59_B     S    59_C     61  118  118     13   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    60_B     A    60_C     61  118  118     24   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    61_B     A    61_C     61  118  118     19   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    62_B     I    62_C     61  118  118     13   50   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    63_B     I    63_C     61  118  118     13   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    64_B     S    64_C     61  118  118     19   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    65_B     V    65_C     61  118  118     13   46   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    66_B     A    66_C     61  118  118     10   31   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    67_B     E    67_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    68_B     S    68_C     61  118  118      9   41   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    69_B     A    69_C     61  118  118      7   29   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    70_B     S    70_C     61  118  118     16   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    71_B     Q    71_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_C     61  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    73_B     L    73_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    74_B     Q    74_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R    75_B     R    75_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    76_B     G    76_C     61  118  118      6   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    77_B     Y    77_C     61  118  118      6   54   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    78_B     L    78_C     61  118  118     11   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    79_B     Q    79_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R    80_B     R    80_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    81_B     I    81_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    82_B     L    82_C     61  118  118     28   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    83_B     L    83_C     61  118  118     22   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    84_B     E    84_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    85_B     G    85_C     61  118  118     10   58   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    86_B     E    86_C     61  118  118     10   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    87_B     L    87_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    88_B     G    88_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    89_B     T    89_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    90_B     I    90_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    91_B     I    91_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    92_B     I    92_C     61  118  118     14   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    93_B     S    93_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    94_B     K    94_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_C     61  118  118     18   57   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_C     61  118  118      3   54   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    97_B     P    97_C     61  118  118     25   58   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    98_B     H    98_C     61  118  118      9   27   72  108  114  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    99_B     A    99_C     61  118  118      9   56   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   100_B     I   100_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   101_B     L   101_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   102_B     V   102_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   103_B     S   103_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   104_B     L   104_C     61  118  118     30   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_C     61  118  118     14   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   106_B     D   106_C     61  118  118     14   58   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   107_B     K   107_C     61  118  118      4   57   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   108_B     D   108_C     61  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_C     61  118  118     28   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   110_B     K   110_C     61  118  118     18   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   111_B     L   111_C     61  118  118     12   59   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G   112_B     G   112_C     59  118  118     11   40   82  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   113_B     I   113_C     59  118  118     11   40   82  107  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   114_B     I   114_C     59  118  118     11   55   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   115_B     L   115_C     59  118  118     11   55   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M   116_B     M   116_C     59  118  118     11   55   91  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   117_B     L   117_C     59  118  118     18   56   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   118_B     I   118_C     59  118  118     18   57   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   119_B     D   119_C     59  118  118     11   55   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   120_B     K   120_C     59  118  118     11   55   91  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   121_B     A   121_C     59  118  118     11   47   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   122_B     I   122_C     59  118  118     19   58   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   123_B     K   123_C     59  118  118      8   55   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q   124_B     Q   124_C     59  118  118     17   57   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   125_B     I   125_C     59  118  118     11   46   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   126_B     A   126_C     58  118  118     11   51   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_C     58  118  118      5   42   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   128_B     L   128_C     30  118  118      5   31   93  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M   129_B     M   129_C     30  118  118      8   19   87  108  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  79.03  (  42.04   97.52   97.52 )

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     30     59     93    108    115    116    116    116    117    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  24.79  48.76  76.86  89.26  95.04  95.87  95.87  95.87  96.69  97.52  97.52  97.52  97.52  97.52  97.52  97.52  97.52  97.52  97.52  97.52
GDT RMS_LOCAL    0.34   0.65   0.94   1.10   1.23   1.25   1.25   1.25   1.36   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49
GDT RMS_ALL_AT   1.62   1.54   1.53   1.51   1.50   1.50   1.50   1.50   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49

# Checking swapping
#   possible swapping detected:  D    13_B      D    13_C
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  D    48_B      D    48_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T    12_B      T    12_C     2.795     0    0.069   1.217     3.616   59.167   55.306
LGA    D    13_B      D    13_C     2.275     0    0.082   0.724     2.776   70.952   66.964
LGA    K    14_B      K    14_C     1.627     0    0.039   0.596     6.056   77.143   60.423
LGA    L    15_B      L    15_C     1.317     0    0.039   0.152     1.944   83.690   78.274
LGA    W    16_B      W    16_C     1.154     0    0.092   0.205     1.965   85.952   77.823
LGA    Y    17_B      Y    17_C     1.106     0    0.032   1.223     8.125   83.690   52.460
LGA    I    18_B      I    18_C     1.036     0    0.017   0.135     2.587   90.714   80.952
LGA    L    19_B      L    19_C     0.785     0    0.034   1.409     2.567   86.190   78.869
LGA    Q    20_B      Q    20_C     2.281     0    0.121   0.696     2.963   64.881   64.127
LGA    E    21_B      E    21_C     2.292     0    0.084   1.022     3.254   66.786   64.021
LGA    L    22_B      L    22_C     1.946     0    0.042   0.157     2.303   72.857   70.833
LGA    T    23_B      T    23_C     1.887     0    0.132   1.011     4.113   75.000   66.735
LGA    S    24_B      S    24_C     1.845     0    0.081   0.097     1.963   72.857   72.857
LGA    N    25_B      N    25_C     1.487     0    0.042   0.392     2.851   79.286   73.095
LGA    R    26_B      R    26_C     0.674     0    0.110   1.117     6.902   88.214   65.498
LGA    G    27_B      G    27_C     0.647     0    0.152   0.152     0.647   97.619   97.619
LGA    D    28_B      D    28_C     0.853     0    0.031   0.994     4.087   88.214   77.262
LGA    I    29_B      I    29_C     0.860     0    0.029   0.592     2.712   90.476   86.310
LGA    Q    30_B      Q    30_C     0.631     0    0.068   0.323     2.359   95.238   88.730
LGA    G    31_B      G    31_C     0.564     0    0.065   0.065     0.635   95.238   95.238
LGA    C    32_B      C    32_C     0.445     0    0.066   0.622     1.509   95.238   90.714
LGA    T    33_B      T    33_C     0.432     0    0.064   1.140     2.621  100.000   87.483
LGA    I    34_B      I    34_C     0.431     0    0.018   0.079     0.463  100.000  100.000
LGA    V    35_B      V    35_C     0.478     0    0.010   0.069     0.548  100.000   97.279
LGA    T    36_B      T    36_C     0.436     0    0.054   0.087     0.477  100.000  100.000
LGA    T    37_B      T    37_C     0.685     0    0.083   1.148     3.079   90.476   79.932
LGA    Q    38_B      Q    38_C     0.357     0    0.078   1.031     4.830   97.619   80.317
LGA    G    39_B      G    39_C     0.588     0    0.050   0.050     0.700   92.857   92.857
LGA    L    40_B      L    40_C     0.534     0    0.011   0.814     3.241   97.619   86.726
LGA    P    41_B      P    41_C     0.392     0    0.009   0.117     0.907  100.000   97.279
LGA    I    42_B      I    42_C     0.438     0    0.059   0.132     0.537  100.000   98.810
LGA    T    43_B      T    43_C     0.684     0    0.062   1.018     2.388   90.476   83.129
LGA    S    44_B      S    44_C     0.411     0    0.032   0.632     2.371   95.238   90.952
LGA    L    45_B      L    45_C     1.531     0    0.452   1.203     4.006   65.595   64.821
LGA    L    46_B      L    46_C     1.538     0    0.196   0.300     3.587   63.690   73.750
LGA    A    47_B      A    47_C     3.091     0    0.084   0.140     3.927   61.190   57.619
LGA    D    48_B      D    48_C     1.896     0    0.444   0.801     4.718   59.286   54.167
LGA    D    49_B      D    49_C     6.945     0    0.042   1.332    11.999   17.976    9.048
LGA    A    50_B      A    50_C     6.064     0    0.567   0.571     7.046   28.214   24.571
LGA    N    51_B      N    51_C     0.978     0    0.527   0.812     5.853   77.619   59.643
LGA    V    52_B      V    52_C     1.282     0    0.034   0.191     1.581   81.429   81.497
LGA    S    53_B      S    53_C     1.364     0    0.044   0.059     1.574   79.286   80.000
LGA    L    54_B      L    54_C     1.264     0    0.032   1.414     4.730   81.429   64.881
LGA    I    55_B      I    55_C     1.197     0    0.012   0.042     1.324   81.429   81.429
LGA    S    56_B      S    56_C     0.927     0    0.032   0.581     2.393   88.214   84.683
LGA    A    57_B      A    57_C     0.775     0    0.028   0.027     0.867   90.476   90.476
LGA    M    58_B      M    58_C     0.822     0    0.024   1.323     5.444   90.476   75.774
LGA    S    59_B      S    59_C     1.034     0    0.035   0.052     1.365   85.952   84.444
LGA    A    60_B      A    60_C     0.473     0    0.115   0.130     0.824   92.857   94.286
LGA    A    61_B      A    61_C     1.026     0    0.014   0.029     1.241   83.690   83.238
LGA    I    62_B      I    62_C     1.384     0    0.013   0.062     1.616   81.429   80.357
LGA    I    63_B      I    63_C     0.930     0    0.020   0.905     3.485   85.952   76.726
LGA    S    64_B      S    64_C     0.894     0    0.141   0.165     0.982   90.476   90.476
LGA    V    65_B      V    65_C     1.660     0    0.087   1.229     4.194   72.976   66.667
LGA    A    66_B      A    66_C     1.559     0    0.062   0.065     1.777   79.405   78.095
LGA    E    67_B      E    67_C     0.113     0    0.012   1.108     5.287   92.857   73.439
LGA    S    68_B      S    68_C     1.788     0    0.034   0.697     2.571   75.000   70.317
LGA    A    69_B      A    69_C     1.934     0    0.019   0.052     2.483   77.143   74.667
LGA    S    70_B      S    70_C     0.831     0    0.020   0.611     1.865   90.595   86.111
LGA    Q    71_B      Q    71_C     0.581     0    0.027   0.826     3.206   92.857   82.063
LGA    E    72_B      E    72_C     1.155     0    0.055   0.986     5.663   88.214   67.672
LGA    L    73_B      L    73_C     0.642     0    0.007   0.325     1.910   92.857   88.333
LGA    Q    74_B      Q    74_C     0.266     0    0.174   0.821     4.190   97.619   79.841
LGA    R    75_B      R    75_C     0.493     0    0.061   0.876     1.879   92.976   88.182
LGA    G    76_B      G    76_C     1.094     0    0.032   0.032     1.141   83.690   83.690
LGA    Y    77_B      Y    77_C     1.283     0    0.021   1.283     6.992   83.690   60.079
LGA    L    78_B      L    78_C     1.014     0    0.061   0.107     1.872   83.690   81.488
LGA    Q    79_B      Q    79_C     0.626     0    0.137   0.905     2.821   90.476   82.910
LGA    R    80_B      R    80_C     0.634     0    0.056   0.608     3.726   90.476   71.818
LGA    I    81_B      I    81_C     0.541     0    0.029   1.223     2.646   95.238   82.262
LGA    L    82_B      L    82_C     0.431     0    0.121   1.389     2.937  100.000   84.702
LGA    L    83_B      L    83_C     0.950     0    0.055   0.098     1.928   90.476   82.738
LGA    E    84_B      E    84_C     0.725     0    0.058   0.256     1.219   90.476   89.471
LGA    G    85_B      G    85_C     1.087     0    0.046   0.046     1.109   83.690   83.690
LGA    E    86_B      E    86_C     0.928     0    0.098   0.789     4.891   85.952   66.243
LGA    L    87_B      L    87_C     0.953     0    0.072   0.073     1.308   85.952   88.214
LGA    G    88_B      G    88_C     0.892     0    0.011   0.011     0.892   90.476   90.476
LGA    T    89_B      T    89_C     0.693     0    0.036   0.186     0.783   90.476   91.837
LGA    I    90_B      I    90_C     0.652     0    0.067   0.073     1.124   90.476   89.345
LGA    I    91_B      I    91_C     0.581     0    0.019   0.097     1.170   92.857   90.536
LGA    I    92_B      I    92_C     1.032     0    0.113   0.235     1.483   83.690   84.821
LGA    S    93_B      S    93_C     0.665     0    0.021   0.735     3.048   90.476   83.730
LGA    K    94_B      K    94_C     0.426     0    0.052   0.782     3.445  100.000   87.196
LGA    A    95_B      A    95_C     1.064     0    0.030   0.027     1.717   81.548   81.524
LGA    G    96_B      G    96_C     1.563     0    0.127   0.127     1.626   77.143   77.143
LGA    P    97_B      P    97_C     0.971     0    0.686   0.659     1.922   83.810   82.789
LGA    H    98_B      H    98_C     2.329     0    0.026   1.158     5.926   68.810   52.667
LGA    A    99_B      A    99_C     1.210     0    0.043   0.062     1.583   81.548   81.524
LGA    I   100_B      I   100_C     0.418     0    0.051   1.138     3.390   97.619   82.798
LGA    L   101_B      L   101_C     0.410     0    0.030   0.210     1.039  100.000   97.679
LGA    V   102_B      V   102_C     0.583     0    0.020   0.133     0.818   90.476   90.476
LGA    S   103_B      S   103_C     0.435     0    0.051   0.697     3.020   97.619   88.492
LGA    L   104_B      L   104_C     0.496     0    0.043   0.233     1.350   95.238   90.595
LGA    V   105_B      V   105_C     0.974     0    0.028   0.222     1.538   90.476   86.667
LGA    D   106_B      D   106_C     1.250     0    0.071   0.234     3.580   85.952   68.988
LGA    K   107_B      K   107_C     1.524     0    0.176   0.967     6.355   77.143   61.429
LGA    D   108_B      D   108_C     1.346     0    0.146   1.139     5.256   81.429   62.440
LGA    A   109_B      A   109_C     0.546     0    0.089   0.083     0.692   90.476   92.381
LGA    K   110_B      K   110_C     0.920     0    0.173   1.459     7.385   86.071   64.974
LGA    L   111_B      L   111_C     0.968     0    0.058   0.131     1.350   85.952   85.952
LGA    G   112_B      G   112_C     2.097     0    0.109   0.109     2.309   66.786   66.786
LGA    I   113_B      I   113_C     2.282     0    0.070   0.100     2.992   68.810   63.929
LGA    I   114_B      I   114_C     1.498     0    0.039   0.314     1.710   79.286   79.286
LGA    L   115_B      L   115_C     1.591     0    0.071   0.091     1.735   75.000   73.929
LGA    M   116_B      M   116_C     1.846     0    0.048   1.248     3.680   72.857   67.500
LGA    L   117_B      L   117_C     1.573     0    0.030   1.442     4.329   77.143   66.607
LGA    I   118_B      I   118_C     1.156     0    0.121   0.165     1.222   81.429   81.429
LGA    D   119_B      D   119_C     1.587     0    0.072   0.175     2.387   75.000   72.917
LGA    K   120_B      K   120_C     1.965     0    0.026   0.251     3.088   72.857   65.026
LGA    A   121_B      A   121_C     1.599     0    0.039   0.042     1.680   77.143   76.286
LGA    I   122_B      I   122_C     1.011     0    0.068   1.564     3.913   81.429   70.833
LGA    K   123_B      K   123_C     1.455     0    0.110   0.954     2.517   81.429   74.021
LGA    Q   124_B      Q   124_C     1.186     0    0.013   0.236     2.568   81.429   75.873
LGA    I   125_B      I   125_C     1.303     0    0.015   0.077     1.784   81.429   78.214
LGA    A   126_B      A   126_C     1.184     0    0.090   0.097     1.217   81.429   81.429
LGA    E   127_B      E   127_C     1.485     0    0.061   0.762     5.135   79.286   61.958
LGA    L   128_B      L   128_C     1.517     0    0.247   1.213     4.995   72.976   63.750
LGA    M   129_B      M   129_C     1.817     0    0.715   0.994     3.117   75.000   69.107

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     884    884  100.00               121
SUMMARY(RMSD_GDC):     1.488          1.440                  2.147           81.629   75.527

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  118  121    4.0    116    1.25    82.851    91.065     8.611

LGA_LOCAL      RMSD:   1.247  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.500  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   1.488  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.015345 * X  +  -0.876885 * Y  +  -0.480456 * Z  +  20.372890
  Y_new =   0.999863 * X  +   0.016432 * Y  +   0.001943 * Z  + -47.111290
  Z_new =   0.006191 * X  +  -0.480420 * Y  +   0.877017 * Z  +  11.857368 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.555450 -0.006191 -0.501144   [DEG:   89.1208   -0.3547  -28.7134 ]
ZXZ: -1.574841  0.501179  3.128707   [DEG:  -90.2318   28.7154  179.2617 ]
 
# END of job
