
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       2.37     2.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      21_A - 117_A       2.00     2.58
  LONGEST_CONTINUOUS_SEGMENT:    97      22_A - 118_A       2.00     2.62
  LCS_AVERAGE:     84.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62       7_A - 68_A        0.99     5.22
  LCS_AVERAGE:     52.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     E     7_A     E     7_A     62   86  113     27   44   58   72   78   84   98  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     62   86  113     32   46   63   72   79   94  101  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     62   86  113     27   44   58   67   78   83   95  104  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     62   86  113     27   46   58   72   78   83   95  105  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     62   86  113     32   46   62   72   78   87  101  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     62   86  113     32   46   63   72   79   94  101  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     62   86  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     62   86  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     62   93  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     62   97  113     13   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     62   97  113      5   40   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     62   97  113     19   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     62   97  113     30   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     62   97  113     30   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     62   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     62   97  113     29   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     62   97  113     29   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     62   97  113      9   44   63   71   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     62   97  113      3    5   63   70   79   92  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     62   97  113      4   39   63   70   79   94  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     62   97  113     27   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     62   97  113     27   46   65   72   82   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     62   97  113     32   46   65   72   82   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     62   97  113     32   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     62   97  113     24   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     62   97  113     28   46   65   72   82   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     62   97  113     28   46   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     60   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     59   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     55   97  113     28   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     55   97  113     28   45   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     55   97  113     28   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     55   97  113     21   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     55   97  113     23   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     55   97  113     23   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     55   97  113     22   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     55   97  113      4   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     55   97  113      4   33   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     55   97  113     21   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     55   97  113     24   44   63   70   79   94  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     55   97  113     24   34   57   70   74   86   99  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     55   97  113     13   34   57   70   74   86  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     55   97  113     24   44   63   70   79   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     55   97  113     24   45   63   70   82   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     55   97  113     24   42   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     55   97  113     24   34   56   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     55   97  113     23   33   44   68   78   93  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     55   97  113     24   34   65   72   82   94  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     55   97  113     22   39   65   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     55   97  113     28   43   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     55   97  113     28   45   63   72   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     55   97  113     21   44   63   70   79   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     55   97  113     18   32   57   70   74   94  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     55   97  113     18   35   62   70   74   92  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     55   97  113     24   44   63   70   77   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     55   97  113     24   45   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     55   97  113     24   40   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     55   97  113     24   40   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     55   97  113     24   44   63   70   86   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     55   97  113     24   44   63   70   85   95  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     55   97  113     24   34   57   70   74   90  104  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     54   93  113      3   32   39   55   66   75   79   89  107  111  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  79.02  (  52.13   84.93  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     32     46     65     72     86     95    104    107    110    112    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  28.32  40.71  57.52  63.72  76.11  84.07  92.04  94.69  97.35  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.55   0.98   1.09   1.73   1.89   2.08   2.16   2.25   2.33   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37
GDT RMS_ALL_AT   6.02   5.18   3.73   3.87   2.44   2.40   2.41   2.38   2.38   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.157     0    0.040   0.966     4.477   38.690   43.228
LGA    C     8_A      C     8_A     3.470     0    0.022   0.051     3.968   45.000   47.857
LGA    A     9_A      A     9_A     5.049     0    0.043   0.055     5.684   27.500   26.286
LGA    S    10_A      S    10_A     4.795     0    0.050   0.159     4.805   34.286   34.286
LGA    N    11_A      N    11_A     3.937     0    0.014   1.018     4.230   41.786   45.179
LGA    P    12_A      P    12_A     3.441     0    0.053   0.071     3.490   51.786   52.041
LGA    C    13_A      C    13_A     2.318     0    0.039   0.037     2.786   60.952   63.571
LGA    L    14_A      L    14_A     2.351     0    0.007   0.126     3.178   66.786   62.024
LGA    N    15_A      N    15_A     2.123     0    0.044   0.144     2.399   66.786   67.798
LGA    Q    16_A      Q    16_A     2.186     0    0.036   1.178     5.514   64.762   55.185
LGA    G    17_A      G    17_A     2.129     0    0.093   0.093     2.519   62.857   62.857
LGA    T    18_A      T    18_A     1.913     0    0.095   1.132     3.820   75.000   67.619
LGA    C    19_A      C    19_A     2.177     0    0.057   0.064     2.481   66.786   66.111
LGA    I    20_A      I    20_A     1.456     0    0.029   0.509     1.585   77.143   80.417
LGA    D    21_A      D    21_A     1.765     0    0.032   0.816     5.197   77.143   62.619
LGA    D    22_A      D    22_A     1.285     0    0.014   0.846     4.020   81.429   68.929
LGA    V    23_A      V    23_A     1.343     0    0.144   0.142     2.101   77.262   77.823
LGA    A    24_A      A    24_A     1.207     0    0.539   0.528     3.202   73.690   71.905
LGA    G    25_A      G    25_A     1.545     0    0.113   0.113     1.545   79.286   79.286
LGA    Y    26_A      Y    26_A     2.019     0    0.024   0.127     3.471   68.810   59.921
LGA    K    27_A      K    27_A     1.297     0    0.050   0.286     1.705   79.286   80.529
LGA    C    28_A      C    28_A     1.081     0    0.023   0.037     1.674   85.952   83.016
LGA    N    29_A      N    29_A     0.691     0    0.033   1.331     3.735   88.214   74.345
LGA    C    30_A      C    30_A     0.504     0    0.078   0.098     0.720   92.857   93.651
LGA    L    31_A      L    31_A     1.200     0    0.074   0.211     1.874   85.952   82.619
LGA    L    32_A      L    32_A     1.617     0    0.021   0.076     2.758   72.976   67.917
LGA    P    33_A      P    33_A     1.278     0    0.065   0.091     1.597   85.952   82.789
LGA    Y    34_A      Y    34_A     0.131     0    0.041   0.062     1.247   97.619   89.841
LGA    T    35_A      T    35_A     0.625     0    0.050   0.084     1.028   90.476   89.184
LGA    G    36_A      G    36_A     1.268     0    0.012   0.012     1.470   81.429   81.429
LGA    A    37_A      A    37_A     1.840     0    0.066   0.063     2.329   72.857   71.238
LGA    T    38_A      T    38_A     1.742     0    0.042   0.092     2.638   75.000   69.524
LGA    C    39_A      C    39_A     1.006     0    0.021   0.052     1.204   81.429   84.444
LGA    E    40_A      E    40_A     1.476     0    0.073   0.201     2.221   81.429   73.968
LGA    V    41_A      V    41_A     0.981     0    0.075   0.085     1.584   88.214   84.082
LGA    V    42_A      V    42_A     0.346     0    0.025   1.083     2.295   95.238   87.211
LGA    L    43_A      L    43_A     1.315     0    0.083   0.080     1.514   83.690   81.488
LGA    A    44_A      A    44_A     1.731     0    0.030   0.041     2.064   70.833   71.238
LGA    P    45_A      P    45_A     2.151     0    0.051   0.292     2.344   66.786   68.231
LGA    C    46_A      C    46_A     2.523     0    0.081   0.085     3.242   57.262   58.492
LGA    A    47_A      A    47_A     2.595     0    0.590   0.537     3.922   59.167   56.000
LGA    P    48_A      P    48_A     4.038     0    0.679   0.705     4.886   42.262   42.109
LGA    S    49_A      S    49_A     3.459     0    0.267   0.629     5.711   53.571   44.524
LGA    P    50_A      P    50_A     2.427     0    0.025   0.038     2.648   62.857   62.585
LGA    C    51_A      C    51_A     2.352     0    0.091   0.128     2.759   62.857   63.492
LGA    R    52_A      R    52_A     2.070     0    0.024   1.096     4.273   64.762   59.481
LGA    N    53_A      N    53_A     1.869     0    0.045   0.174     2.052   72.857   71.845
LGA    G    54_A      G    54_A     2.019     0    0.034   0.034     2.022   66.786   66.786
LGA    G    55_A      G    55_A     1.905     0    0.049   0.049     2.111   68.810   68.810
LGA    E    56_A      E    56_A     2.190     0    0.012   1.111     6.595   66.786   47.989
LGA    C    57_A      C    57_A     2.219     0    0.033   0.048     2.328   64.762   64.762
LGA    R    58_A      R    58_A     2.214     0    0.033   1.274     5.932   64.762   55.022
LGA    Q    59_A      Q    59_A     2.062     0    0.019   0.668     3.913   66.786   57.778
LGA    S    60_A      S    60_A     2.718     0    0.015   0.116     2.947   60.952   60.952
LGA    E    61_A      E    61_A     2.924     0    0.021   0.749     4.805   57.143   49.630
LGA    D    62_A      D    62_A     2.544     0    0.045   0.346     3.651   60.952   57.321
LGA    Y    63_A      Y    63_A     2.078     0    0.034   0.115     2.353   66.786   68.135
LGA    E    64_A      E    64_A     2.351     0    0.026   0.893     5.365   64.762   54.762
LGA    S    65_A      S    65_A     2.788     0    0.062   0.101     3.261   59.048   56.032
LGA    F    66_A      F    66_A     2.368     0    0.030   0.049     2.522   62.857   64.069
LGA    S    67_A      S    67_A     2.113     0    0.042   0.067     2.258   64.762   64.762
LGA    C    68_A      C    68_A     1.924     0    0.025   0.041     2.071   72.857   71.508
LGA    V    69_A      V    69_A     1.787     0    0.022   0.045     1.995   72.857   72.857
LGA    C    70_A      C    70_A     1.693     0    0.033   0.041     1.715   72.857   72.857
LGA    P    71_A      P    71_A     1.602     0    0.009   0.054     1.666   72.857   72.857
LGA    T    72_A      T    72_A     1.366     0    0.023   0.042     1.550   77.143   77.755
LGA    G    73_A      G    73_A     1.094     0    0.027   0.027     1.201   81.429   81.429
LGA    W    74_A      W    74_A     1.431     0    0.044   0.069     1.875   81.429   75.306
LGA    Q    75_A      Q    75_A     1.356     0    0.032   0.521     2.093   81.429   79.577
LGA    G    76_A      G    76_A     1.534     0    0.033   0.033     1.838   75.000   75.000
LGA    Q    77_A      Q    77_A     1.792     0    0.015   0.090     1.986   72.857   72.857
LGA    T    78_A      T    78_A     2.036     0    0.019   0.050     2.212   68.810   67.075
LGA    C    79_A      C    79_A     1.888     0    0.025   0.067     2.042   70.833   71.508
LGA    E    80_A      E    80_A     1.914     0    0.056   0.960     7.121   72.857   52.063
LGA    V    81_A      V    81_A     1.533     0    0.052   0.054     1.585   75.000   77.755
LGA    D    82_A      D    82_A     1.737     0    0.062   0.092     2.511   77.143   70.000
LGA    I    83_A      I    83_A     0.920     0    0.043   0.043     1.230   88.214   90.536
LGA    N    84_A      N    84_A     1.088     0    0.037   0.078     1.926   83.690   80.417
LGA    E    85_A      E    85_A     0.594     0    0.038   0.070     0.996   90.476   93.651
LGA    C    86_A      C    86_A     1.272     0    0.081   0.090     1.422   81.429   81.429
LGA    V    87_A      V    87_A     1.349     0    0.037   0.047     1.553   81.429   80.204
LGA    L    88_A      L    88_A     1.285     0    0.463   0.352     4.014   77.262   63.036
LGA    S    89_A      S    89_A     2.160     0    0.366   0.732     5.022   66.786   58.413
LGA    P    90_A      P    90_A     2.205     0    0.126   0.202     2.436   64.762   64.762
LGA    C    91_A      C    91_A     2.250     0    0.042   0.065     2.760   60.952   63.571
LGA    R    92_A      R    92_A     3.580     0    0.024   1.398     5.269   45.000   46.364
LGA    H    93_A      H    93_A     4.700     0    0.055   0.085     5.417   32.857   30.429
LGA    G    94_A      G    94_A     4.572     0    0.096   0.096     4.572   34.286   34.286
LGA    A    95_A      A    95_A     3.184     0    0.032   0.038     3.649   48.333   50.095
LGA    S    96_A      S    96_A     2.938     0    0.083   0.680     3.258   57.143   54.762
LGA    C    97_A      C    97_A     1.765     0    0.013   0.035     2.152   68.810   71.587
LGA    Q    98_A      Q    98_A     1.786     0    0.011   0.125     2.884   75.000   70.265
LGA    N    99_A      N    99_A     1.915     0    0.065   0.262     3.354   66.905   65.000
LGA    T   100_A      T   100_A     2.720     0    0.012   0.083     2.967   59.048   60.408
LGA    H   101_A      H   101_A     3.821     0    0.025   1.163     7.763   41.786   30.857
LGA    G   102_A      G   102_A     3.187     0    0.122   0.122     3.236   53.571   53.571
LGA    G   103_A      G   103_A     2.218     0    0.034   0.034     2.492   70.952   70.952
LGA    Y   104_A      Y   104_A     0.920     0    0.050   0.109     1.883   85.952   86.032
LGA    R   105_A      R   105_A     0.664     0    0.035   1.235     6.058   88.214   66.061
LGA    C   106_A      C   106_A     1.136     0    0.056   0.106     1.431   83.690   82.937
LGA    H   107_A      H   107_A     1.802     0    0.054   1.128     2.888   68.810   67.286
LGA    C   108_A      C   108_A     2.195     0    0.000   0.049     2.556   62.976   64.921
LGA    Q   109_A      Q   109_A     3.194     0    0.029   0.677     6.457   51.786   41.852
LGA    A   110_A      A   110_A     3.715     0    0.021   0.022     4.382   41.786   40.857
LGA    G   111_A      G   111_A     3.539     0    0.153   0.153     3.539   48.333   48.333
LGA    Y   112_A      Y   112_A     3.231     0    0.036   0.088     6.360   55.476   38.571
LGA    S   113_A      S   113_A     2.140     0    0.031   0.143     2.768   60.952   60.952
LGA    G   114_A      G   114_A     2.401     0    0.031   0.031     2.401   70.952   70.952
LGA    R   115_A      R   115_A     1.920     0    0.015   0.707     4.850   72.976   62.771
LGA    N   116_A      N   116_A     2.314     0    0.012   0.268     3.019   60.952   61.071
LGA    C   117_A      C   117_A     2.760     0    0.023   0.052     3.571   51.905   54.921
LGA    E   118_A      E   118_A     3.976     0    0.071   0.156     4.832   39.048   42.169
LGA    T   119_A      T   119_A     5.494     0    0.470   0.499     6.157   27.500   24.966

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.371          2.366                  2.644           67.529   64.838

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    107    2.16    74.779    82.388     4.725

LGA_LOCAL      RMSD:   2.165  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.379  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.371  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.235241 * X  +  -0.262885 * Y  +   0.935710 * Z  +   8.052293
  Y_new =   0.904716 * X  +   0.292585 * Y  +   0.309650 * Z  +  21.262568
  Z_new =  -0.355177 * X  +   0.919394 * Y  +   0.169009 * Z  +  24.407930 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.825180  0.363103  1.389000   [DEG:  104.5751   20.8043   79.5838 ]
ZXZ:  1.890378  1.400973 -0.368655   [DEG:  108.3107   80.2698  -21.1224 ]
 
# END of job
