
#######################################################
#                                                     #
#                        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  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , 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:   117      21_B - 137_B       4.63     5.41
  LCS_AVERAGE:     98.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110      21_B - 130_B       1.89     5.89
  LONGEST_CONTINUOUS_SEGMENT:   110      22_B - 131_B       1.95     5.88
  LCS_AVERAGE:     88.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81      42_B - 122_B       1.00     5.96
  LONGEST_CONTINUOUS_SEGMENT:    81      43_B - 123_B       1.00     5.94
  LONGEST_CONTINUOUS_SEGMENT:    81      44_B - 124_B       0.99     5.91
  LONGEST_CONTINUOUS_SEGMENT:    81      45_B - 125_B       0.99     5.89
  LCS_AVERAGE:     53.07

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     M    21_B     M    21_B      3  110  117      0    3    3    4    5    5   12   24   39  105  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A    22_B     A    22_B      3  110  117      3    3    3    4    5   10   31   87  104  106  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    23_B     S    23_B      3  110  117      3    3    3    4    5    6   31   79  100  106  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     M    24_B     M    24_B      6  110  117      8   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    25_B     Y    25_B      6  110  117      8   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A    26_B     A    26_B      6  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    27_B     K    27_B      6  110  117     30   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H    28_B     H    28_B      6  110  117     30   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    29_B     S    29_B      6  110  117      3   25   83  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A    30_B     A    30_B      4  110  117      3    4    4    6   10   22   38   73  106  107  107  107  110  110  111  112  112  112  113  113 
LCS_GDT     Q    31_B     Q    31_B      4  110  117      3    4    4   21   30   78   92  105  106  107  107  107  110  110  111  112  112  112  113  113 
LCS_GDT     N    32_B     N    32_B      6  110  117     11   42   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    33_B     Y    33_B      6  110  117     10   55   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Q    34_B     Q    34_B      6  110  117     20   62   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P    35_B     P    35_B      6  110  117     17   41   82  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    36_B     L    36_B      6  110  117     17   41   80  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    37_B     L    37_B      6  110  117      3    7   35   45   88  102  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P    38_B     P    38_B     10  110  117     22   63   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    39_B     G    39_B     22  110  117     25   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    40_B     I    40_B     22  110  117     20   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    41_B     K    41_B     22  110  117     20   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    42_B     I    42_B     81  110  117     20   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    43_B     K    43_B     81  110  117     20   49   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T    44_B     T    44_B     81  110  117     16   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    45_B     L    45_B     81  110  117     26   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V    46_B     V    46_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    47_B     Y    47_B     81  110  117      9   64   85  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    48_B     G    48_B     81  110  117     17   57   80  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E    49_B     E    49_B     81  110  117      3   22   59   79  100  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    50_B     L    50_B     81  110  117     24   65   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T    51_B     T    51_B     81  110  117     33   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    52_B     L    52_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     M    53_B     M    53_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T    54_B     T    54_B     81  110  117     27   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E    55_B     E    55_B     81  110  117     34   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     F    56_B     F    56_B     81  110  117     21   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V    57_B     V    57_B     81  110  117     34   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     M    58_B     M    58_B     81  110  117     34   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     D    59_B     D    59_B     81  110  117     33   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    60_B     K    60_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    61_B     G    61_B     81  110  117      6   46   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    62_B     S    62_B     81  110  117     19   41   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    63_B     S    63_B     81  110  117     19   41   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    64_B     L    64_B     81  110  117      4   44   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P    65_B     P    65_B     81  110  117     19   56   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     D    66_B     D    66_B     81  110  117      3   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H    67_B     H    67_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T    68_B     T    68_B     81  110  117     10   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H    69_B     H    69_B     81  110  117     19   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P    70_B     P    70_B     81  110  117     14   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    71_B     Y    71_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E    72_B     E    72_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Q    73_B     Q    73_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T    74_B     T    74_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    75_B     G    75_B     81  110  117     20   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    76_B     Y    76_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    77_B     L    77_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V    78_B     V    78_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    79_B     S    79_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    80_B     G    80_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    81_B     K    81_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    82_B     I    82_B     81  110  117     19   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    83_B     I    83_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L    84_B     L    84_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y    85_B     Y    85_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    86_B     I    86_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E    87_B     E    87_B     81  110  117     23   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     D    88_B     D    88_B     81  110  117      7   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    89_B     K    89_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K    90_B     K    90_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Q    91_B     Q    91_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Q    92_B     Q    92_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I    93_B     I    93_B     81  110  117     23   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     M    94_B     M    94_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A    95_B     A    95_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     G    96_B     G    96_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     D    97_B     D    97_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S    98_B     S    98_B     81  110  117     32   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     W    99_B     W    99_B     81  110  117     12   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     C   100_B     C   100_B     81  110  117     12   62   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I   101_B     I   101_B     81  110  117     19   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P   102_B     P   102_B     81  110  117     12   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K   103_B     K   103_B     81  110  117     21   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     N   104_B     N   104_B     81  110  117     10   46   83   98  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V   105_B     V   105_B     81  110  117     34   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H   106_B     H   106_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H   107_B     H   107_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     H   108_B     H   108_B     81  110  117     29   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A   109_B     A   109_B     81  110  117      4   44   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E   110_B     E   110_B     81  110  117      4   34   83  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I   111_B     I   111_B     81  110  117      8   66   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     L   112_B     L   112_B     81  110  117     20   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E   113_B     E   113_B     81  110  117     20   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     N   114_B     N   114_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     S   115_B     S   115_B     81  110  117     34   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V   116_B     V   116_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A   117_B     A   117_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V   118_B     V   118_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E   119_B     E   119_B     81  110  117     28   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     V   120_B     V   120_B     81  110  117     28   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     F   121_B     F   121_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     A   122_B     A   122_B     81  110  117     36   68   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     P   123_B     P   123_B     81  110  117     16   65   87  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     T   124_B     T   124_B     81  110  117     14   60   85  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     R   125_B     R   125_B     81  110  117     14   60   85  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E   126_B     E   126_B     80  110  117     17   56   80  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     E   127_B     E   127_B     80  110  117      7   54   80  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y   128_B     Y   128_B     80  110  117     23   64   85  100  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     I   129_B     I   129_B     80  110  117      7   45   77   98  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     K   130_B     K   130_B     67  110  117      7   39   77   93  103  104  105  105  106  107  107  108  110  110  111  112  112  112  113  113 
LCS_GDT     Y   131_B     Y   131_B      5  110  117      3    4    5    6    7    9   37   41   52   90   99  106  109  110  111  112  112  112  113  113 
LCS_GDT     L   132_B     L   132_B      5  102  117      3    4    5    6    7    8   11   15   27   52   60   85   96  103  110  112  112  112  113  113 
LCS_GDT     D   133_B     D   133_B      5    6  117      3    4    5    6    7    9   12   22   27   39   54   76   90   95  100  109  110  111  113  113 
LCS_GDT     R   134_B     R   134_B      5    6  117      0    4    5    6    7    9   12   15   21   28   53   70   87   91   97  101  106  110  112  112 
LCS_GDT     T   135_B     T   135_B      5    6  117      1    3    5    6    7    9   12   15   21   28   36   50   69   84   92   96  101  106  108  111 
LCS_GDT     T   136_B     T   136_B      3    6  117      3    3    3    6    6    9   11   13   16   20   23   25   38   48   56   76   86   94   99  101 
LCS_GDT     V   137_B     V   137_B      3    4  117      3    3    3    3    4    6    9    9   11   13   15   15   16   18   20   21   23   25   35   36 
LCS_GDT     V   138_B     V   138_B      3    4   15      3    3    3    3    4    6    9    9   11   13   15   15   16   17   20   21   23   23   25   27 
LCS_AVERAGE  LCS_A:  80.05  (  53.07   88.65   98.42 )

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     36     68     87    100    103    104    105    105    106    107    107    108    110    110    111    112    112    112    113    113 
GDT PERCENT_AT  30.51  57.63  73.73  84.75  87.29  88.14  88.98  88.98  89.83  90.68  90.68  91.53  93.22  93.22  94.07  94.92  94.92  94.92  95.76  95.76
GDT RMS_LOCAL    0.34   0.58   0.85   1.06   1.13   1.18   1.25   1.25   1.37   1.53   1.53   1.65   1.89   1.89   2.04   2.29   2.29   2.29   2.63   2.63
GDT RMS_ALL_AT   5.99   5.97   6.12   6.01   5.96   5.94   5.95   5.95   5.98   5.99   5.88   5.86   5.89   5.89   5.86   5.80   5.80   5.80   5.73   5.73

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    71_B      Y    71_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   131_B      Y   131_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     6.948     0    0.106   1.177     9.093   15.476   11.190
LGA    A    22_B      A    22_B     6.633     0    0.715   0.692     7.891   21.310   18.476
LGA    S    23_B      S    23_B     6.931     0    0.029   0.148    11.504   22.976   15.556
LGA    M    24_B      M    24_B     1.026     0    0.594   1.043     9.687   75.357   47.619
LGA    Y    25_B      Y    25_B     0.978     0    0.082   0.136     1.226   88.214   88.968
LGA    A    26_B      A    26_B     0.508     0    0.019   0.034     0.891   90.476   90.476
LGA    K    27_B      K    27_B     0.702     0    0.107   1.484     5.729   88.214   67.672
LGA    H    28_B      H    28_B     0.889     0    0.573   0.444     2.808   82.143   77.524
LGA    S    29_B      S    29_B     1.794     0    0.624   0.590     4.488   58.214   53.254
LGA    A    30_B      A    30_B     7.274     0    0.250   0.248     9.526   14.048   11.333
LGA    Q    31_B      Q    31_B     6.136     0    0.151   0.791    13.165   36.667   17.407
LGA    N    32_B      N    32_B     2.073     0    0.589   0.680     3.800   63.452   71.369
LGA    Y    33_B      Y    33_B     1.581     0    0.118   0.223     2.891   70.833   67.500
LGA    Q    34_B      Q    34_B     1.440     0    0.060   1.195     4.088   79.286   69.365
LGA    P    35_B      P    35_B     2.095     0    0.097   0.096     2.942   66.786   63.741
LGA    L    36_B      L    36_B     2.118     0    0.102   1.379     4.132   61.190   59.583
LGA    L    37_B      L    37_B     4.389     0    0.683   1.608    10.704   50.595   28.631
LGA    P    38_B      P    38_B     1.545     0    0.501   0.516     4.548   81.667   64.490
LGA    G    39_B      G    39_B     0.778     0    0.143   0.143     1.046   90.595   90.595
LGA    I    40_B      I    40_B     0.989     0    0.114   0.644     2.846   85.952   79.583
LGA    K    41_B      K    41_B     1.029     0    0.047   0.679     1.734   88.214   81.587
LGA    I    42_B      I    42_B     1.085     0    0.021   1.105     2.967   81.429   76.250
LGA    K    43_B      K    43_B     1.520     0    0.028   1.401     4.336   81.548   72.963
LGA    T    44_B      T    44_B     1.120     0    0.016   1.005     3.335   83.690   74.762
LGA    L    45_B      L    45_B     0.957     0    0.055   0.072     1.551   86.071   83.750
LGA    V    46_B      V    46_B     0.638     0    0.062   0.178     1.740   95.238   86.871
LGA    Y    47_B      Y    47_B     1.215     0    0.050   1.191     4.618   88.333   71.667
LGA    G    48_B      G    48_B     2.018     0    0.185   0.185     2.291   66.786   66.786
LGA    E    49_B      E    49_B     3.380     0    0.099   1.274     9.961   51.786   29.524
LGA    L    50_B      L    50_B     0.901     0    0.132   0.964     3.732   88.452   77.024
LGA    T    51_B      T    51_B     0.286     0    0.036   1.138     2.960   95.238   87.279
LGA    L    52_B      L    52_B     0.503     0    0.091   1.349     3.356   90.595   81.071
LGA    M    53_B      M    53_B     0.497     0    0.056   0.541     2.515   95.238   85.357
LGA    T    54_B      T    54_B     0.625     0    0.036   0.069     1.310   92.857   89.252
LGA    E    55_B      E    55_B     0.412     0    0.063   0.529     1.858   97.619   88.677
LGA    F    56_B      F    56_B     0.610     0    0.087   0.136     1.582   97.619   87.403
LGA    V    57_B      V    57_B     0.373     0    0.092   0.149     1.067  100.000   94.626
LGA    M    58_B      M    58_B     0.293     0    0.028   1.018     4.319  100.000   86.369
LGA    D    59_B      D    59_B     0.397     0    0.118   0.997     3.652   97.619   80.119
LGA    K    60_B      K    60_B     0.708     0    0.031   1.055     6.460   85.952   67.513
LGA    G    61_B      G    61_B     1.717     0    0.091   0.091     2.231   72.976   72.976
LGA    S    62_B      S    62_B     1.835     0    0.109   0.627     2.621   68.810   67.540
LGA    S    63_B      S    63_B     1.926     0    0.046   0.115     2.153   72.857   70.159
LGA    L    64_B      L    64_B     1.886     0    0.076   0.628     4.030   72.857   63.452
LGA    P    65_B      P    65_B     1.624     0    0.078   0.146     1.812   77.143   75.306
LGA    D    66_B      D    66_B     1.096     0    0.034   1.236     3.682   85.952   77.857
LGA    H    67_B      H    67_B     1.077     0    0.091   0.340     2.493   85.952   78.190
LGA    T    68_B      T    68_B     1.207     0    0.082   0.092     1.547   81.429   80.204
LGA    H    69_B      H    69_B     1.563     0    0.105   0.182     1.675   75.000   79.810
LGA    P    70_B      P    70_B     1.719     0    0.367   0.472     3.259   67.143   69.592
LGA    Y    71_B      Y    71_B     0.839     0    0.052   0.164     1.329   88.214   87.460
LGA    E    72_B      E    72_B     0.838     0    0.095   0.611     2.195   90.476   83.704
LGA    Q    73_B      Q    73_B     0.920     0    0.122   0.209     1.198   88.214   88.466
LGA    T    74_B      T    74_B     0.403     0    0.079   1.079     2.992   95.238   87.143
LGA    G    75_B      G    75_B     0.733     0    0.084   0.084     0.953   90.476   90.476
LGA    Y    76_B      Y    76_B     0.353     0    0.058   0.168     1.203   97.619   92.143
LGA    L    77_B      L    77_B     0.404     0    0.022   1.345     3.196  100.000   83.095
LGA    V    78_B      V    78_B     0.466     0    0.051   0.071     0.687   97.619   95.918
LGA    S    79_B      S    79_B     0.460     0    0.034   0.069     0.489  100.000  100.000
LGA    G    80_B      G    80_B     0.539     0    0.108   0.108     1.212   88.214   88.214
LGA    K    81_B      K    81_B     0.588     0    0.081   0.991     3.254   90.476   75.979
LGA    I    82_B      I    82_B     0.793     0    0.079   0.986     3.020   88.214   79.881
LGA    I    83_B      I    83_B     0.434     0    0.055   1.163     3.071   97.619   80.655
LGA    L    84_B      L    84_B     0.443     0    0.081   0.858     3.152   97.619   87.857
LGA    Y    85_B      Y    85_B     0.444     0    0.079   1.302     8.415   95.238   58.452
LGA    I    86_B      I    86_B     0.405     0    0.028   0.591     1.841   95.238   93.036
LGA    E    87_B      E    87_B     1.047     0    0.613   1.306     4.261   75.833   69.683
LGA    D    88_B      D    88_B     1.019     0    0.161   0.916     5.440   88.333   64.464
LGA    K    89_B      K    89_B     0.259     0    0.082   0.508     2.666   97.619   88.942
LGA    K    90_B      K    90_B     0.246     0    0.115   1.083     5.567   97.619   75.397
LGA    Q    91_B      Q    91_B     0.247     0    0.078   1.261     5.369  100.000   78.466
LGA    Q    92_B      Q    92_B     0.353     0    0.076   1.121     4.441   97.619   81.164
LGA    I    93_B      I    93_B     0.686     0    0.068   1.080     2.538   95.238   83.155
LGA    M    94_B      M    94_B     0.471     0    0.044   1.193     5.344  100.000   79.821
LGA    A    95_B      A    95_B     0.365     0    0.057   0.064     0.424  100.000  100.000
LGA    G    96_B      G    96_B     0.246     0    0.066   0.066     0.246  100.000  100.000
LGA    D    97_B      D    97_B     0.409     0    0.073   0.237     1.583  100.000   89.702
LGA    S    98_B      S    98_B     0.594     0    0.031   0.054     0.832   95.238   93.651
LGA    W    99_B      W    99_B     1.037     0    0.013   1.762     6.615   81.429   60.612
LGA    C   100_B      C   100_B     1.096     0    0.098   0.103     1.321   81.429   81.429
LGA    I   101_B      I   101_B     0.780     0    0.055   1.122     2.511   88.214   79.762
LGA    P   102_B      P   102_B     1.312     0    0.075   0.236     1.503   81.429   80.204
LGA    K   103_B      K   103_B     1.534     0    0.446   1.095     2.052   77.262   73.016
LGA    N   104_B      N   104_B     2.085     0    0.253   0.611     2.925   64.881   66.905
LGA    V   105_B      V   105_B     1.004     0    0.037   0.072     1.200   85.952   86.599
LGA    H   106_B      H   106_B     0.585     0    0.042   1.402     6.148   92.857   63.714
LGA    H   107_B      H   107_B     0.654     0    0.055   0.090     0.680   90.476   93.333
LGA    H   108_B      H   108_B     0.723     0    0.097   1.150     5.152   90.476   67.429
LGA    A   109_B      A   109_B     1.593     0    0.041   0.078     2.021   72.976   72.952
LGA    E   110_B      E   110_B     1.924     0    0.056   0.913     3.067   77.143   73.228
LGA    I   111_B      I   111_B     1.076     0    0.047   0.651     3.054   83.690   72.440
LGA    L   112_B      L   112_B     0.919     0    0.096   0.947     2.440   86.190   82.857
LGA    E   113_B      E   113_B     0.923     0    0.120   0.725     3.282   88.214   77.302
LGA    N   114_B      N   114_B     0.774     0    0.277   0.294     1.775   86.071   88.274
LGA    S   115_B      S   115_B     0.359     0    0.094   0.169     0.511  100.000   98.413
LGA    V   116_B      V   116_B     0.252     0    0.021   1.044     2.655   97.619   87.483
LGA    A   117_B      A   117_B     0.537     0    0.044   0.045     0.618   95.238   94.286
LGA    V   118_B      V   118_B     0.639     0    0.030   0.133     1.031   90.476   89.184
LGA    E   119_B      E   119_B     0.719     0    0.046   0.517     3.846   95.238   78.148
LGA    V   120_B      V   120_B     0.663     0    0.048   1.183     3.376   90.476   78.912
LGA    F   121_B      F   121_B     0.543     0    0.045   0.107     0.725   95.238   92.208
LGA    A   122_B      A   122_B     0.984     0    0.671   0.623     3.550   76.429   75.714
LGA    P   123_B      P   123_B     0.863     0    0.149   0.300     1.956   90.476   82.925
LGA    T   124_B      T   124_B     1.376     0    0.189   1.111     4.115   79.286   69.184
LGA    R   125_B      R   125_B     1.320     0    0.132   0.794     1.507   83.690   83.117
LGA    E   126_B      E   126_B     1.963     0    0.030   1.366     5.995   72.857   53.704
LGA    E   127_B      E   127_B     1.825     0    0.055   0.735     3.835   75.000   66.138
LGA    Y   128_B      Y   128_B     1.187     0    0.197   0.776     2.507   75.119   76.825
LGA    I   129_B      I   129_B     2.370     0    0.647   1.616     5.427   53.452   53.750
LGA    K   130_B      K   130_B     2.896     0    0.687   1.076     5.855   49.048   46.032
LGA    Y   131_B      Y   131_B     8.704     0    0.654   1.248    13.754    5.119    1.706
LGA    L   132_B      L   132_B    11.525     0    0.054   0.167    13.602    0.000    0.000
LGA    D   133_B      D   133_B    14.878     0    0.377   1.008    16.863    0.000    0.000
LGA    R   134_B      R   134_B    17.501     0    0.691   1.479    18.750    0.000    0.000
LGA    T   135_B      T   135_B    20.394     0    0.689   1.324    23.287    0.000    0.000
LGA    T   136_B      T   136_B    24.290     0    0.711   1.430    28.643    0.000    0.000
LGA    V   137_B      V   137_B    29.081     0    0.105   0.951    30.503    0.000    0.000
LGA    V   138_B      V   138_B    34.647     0    0.127   1.230    37.691    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     5.380          5.460                  5.685           76.858   69.686

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    105    1.25    81.568    85.715     7.792

LGA_LOCAL      RMSD:   1.247  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.954  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   5.380  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.465126 * X  +   0.606094 * Y  +   0.645219 * Z  + -93.347298
  Y_new =   0.880077 * X  +  -0.237958 * Y  +  -0.410902 * Z  +  -8.095757
  Z_new =  -0.095511 * X  +   0.758964 * Y  +  -0.644090 * Z  +  -1.300410 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.084605  0.095656  2.274503   [DEG:   62.1433    5.4807  130.3194 ]
ZXZ:  1.003727  2.270629 -0.125185   [DEG:   57.5093  130.0975   -7.1726 ]
 
# END of job
