
#######################################################
#                                                     #
#                        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       2.55     2.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       7_A - 91_A        1.93     3.19
  LCS_AVERAGE:     74.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62       7_A - 68_A        0.98     5.76
  LCS_AVERAGE:     50.94

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   85  113     26   47   60   72   77   87   97  102  108  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     62   85  113     30   47   61   73   81   88   98  104  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     62   85  113     26   47   60   69   77   85   97  102  108  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     62   85  113     26   47   60   72   77   87   97  102  108  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     62   85  113     29   47   61   73   78   87   97  104  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     62   85  113     30   47   61   73   81   88   99  104  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     62   85  113     24   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     62   85  113     29   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     62   85  113     28   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     62   85  113      7   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     62   85  113      5   37   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     62   85  113     22   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     62   85  113     20   45   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     62   85  113      2    5   34   67   75   83   97  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     62   85  113     29   45   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     62   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     62   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     62   85  113     27   45   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     62   85  113     27   43   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     62   85  113     28   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     62   85  113     28   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     62   85  113     30   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     62   85  113     25   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     62   85  113     27   47   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     62   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     60   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     52   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     52   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     52   85  113     27   44   59   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     52   85  113     27   44   59   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     52   85  113     27   44   60   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     52   85  113     27   44   59   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     52   85  113     27   44   60   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     52   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     52   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     52   85  113     27   44   62   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     52   85  113     27   44   59   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     52   85  113     27   44   59   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     52   85  113     18   44   59   72   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     52   85  113     22   44   59   72   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     52   85  113     22   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     52   85  113     22   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     52   85  113     24   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     52   85  113     16   43   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     52   85  113      3   27   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     52   85  113      5   31   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     52   85  113     22   44   59   67   80   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     52   85  113     24   44   59   67   78   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     52   83  113     24   42   59   67   75   90  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     52   83  113     24   34   56   67   75   78   90  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     52   83  113     16   34   57   67   75   78   92  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     52   83  113     24   44   59   67   75   92  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     52   83  113     24   44   59   67   76   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     52   83  113     24   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     52   83  113     24   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     52   83  113     24   43   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     52   83  113     24   34   55   71   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     52   83  113     16   34   44   66   81   92  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     52   83  113     24   36   62   73   81   93  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     52   83  113     27   40   57   73   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     52   83  113     27   43   59   71   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     52   83  113     24   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     52   83  113     24   44   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     52   83  113     24   44   59   67   78   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     52   83  113     24   44   59   67   76   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     52   83  113     24   44   59   67   75   84  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     52   83  113     22   34   54   67   75   78   91  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     52   83  113     22   34   57   67   75   78   91  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     52   83  113     24   41   59   67   75   81  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     52   83  113     24   44   59   67   76   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     52   83  113     24   44   59   67   78   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     52   83  113     24   43   59   67   81   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     52   83  113     24   44   59   67   78   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     52   83  113     24   44   59   67   75   94  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     52   83  113     24   34   57   67   75   80  101  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     52   83  113     18   34   43   59   71   77   81   91  107  112  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  75.24  (  50.94   74.78  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     30     47     62     73     81     94    101    106    109    112    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  41.59  54.87  64.60  71.68  83.19  89.38  93.81  96.46  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    0.31   0.57   0.96   1.19   1.50   2.01   2.18   2.33   2.41   2.51   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55
GDT RMS_ALL_AT   7.22   6.22   4.72   4.18   3.46   2.62   2.59   2.60   2.56   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55

# 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     5.319     0    0.046   0.966     5.467   26.190   30.053
LGA    C     8_A      C     8_A     4.497     0    0.018   0.059     5.002   31.548   34.444
LGA    A     9_A      A     9_A     6.163     0    0.041   0.052     6.825   18.214   17.238
LGA    S    10_A      S    10_A     5.971     0    0.040   0.155     5.996   22.619   22.222
LGA    N    11_A      N    11_A     4.974     0    0.022   1.011     5.301   30.119   32.321
LGA    P    12_A      P    12_A     4.482     0    0.051   0.073     4.527   37.262   38.095
LGA    C    13_A      C    13_A     3.200     0    0.053   0.054     3.726   46.667   50.159
LGA    L    14_A      L    14_A     3.195     0    0.011   0.121     4.039   53.571   49.345
LGA    N    15_A      N    15_A     2.887     0    0.036   0.146     3.108   55.357   55.357
LGA    Q    16_A      Q    16_A     2.822     0    0.044   0.996     5.749   57.143   48.730
LGA    G    17_A      G    17_A     2.842     0    0.097   0.097     3.268   55.357   55.357
LGA    T    18_A      T    18_A     2.598     0    0.095   1.133     4.323   59.048   55.374
LGA    C    19_A      C    19_A     2.926     0    0.062   0.072     3.405   55.357   53.571
LGA    I    20_A      I    20_A     2.144     0    0.023   0.515     2.337   64.762   69.881
LGA    D    21_A      D    21_A     2.635     0    0.031   0.785     6.047   62.976   48.631
LGA    D    22_A      D    22_A     2.129     0    0.018   0.860     4.818   62.857   53.512
LGA    V    23_A      V    23_A     2.334     0    0.139   0.143     3.101   61.071   61.565
LGA    A    24_A      A    24_A     2.260     0    0.495   0.486     4.111   55.952   54.762
LGA    G    25_A      G    25_A     2.720     0    0.084   0.084     2.720   64.881   64.881
LGA    Y    26_A      Y    26_A     2.954     0    0.039   0.120     4.610   55.357   45.437
LGA    K    27_A      K    27_A     2.118     0    0.081   0.877     5.787   68.810   56.138
LGA    C    28_A      C    28_A     1.890     0    0.048   0.045     2.572   77.143   71.746
LGA    N    29_A      N    29_A     1.194     0    0.018   1.097     2.886   79.286   77.381
LGA    C    30_A      C    30_A     1.173     0    0.074   0.106     1.351   81.429   82.937
LGA    L    31_A      L    31_A     1.530     0    0.091   0.254     2.340   79.286   76.131
LGA    L    32_A      L    32_A     1.629     0    0.019   0.075     2.748   70.833   67.857
LGA    P    33_A      P    33_A     1.279     0    0.088   0.122     1.963   83.810   81.565
LGA    Y    34_A      Y    34_A     0.705     0    0.045   0.073     1.910   90.476   81.587
LGA    T    35_A      T    35_A     1.004     0    0.051   0.087     1.319   83.690   84.014
LGA    G    36_A      G    36_A     1.772     0    0.013   0.013     2.050   68.810   68.810
LGA    A    37_A      A    37_A     2.471     0    0.069   0.067     2.999   64.762   63.238
LGA    T    38_A      T    38_A     2.610     0    0.034   0.085     3.597   59.048   54.218
LGA    C    39_A      C    39_A     1.731     0    0.025   0.050     1.945   72.857   72.857
LGA    E    40_A      E    40_A     2.201     0    0.066   0.199     2.754   70.833   64.074
LGA    V    41_A      V    41_A     1.406     0    0.068   0.074     1.997   81.548   79.048
LGA    V    42_A      V    42_A     0.392     0    0.025   1.019     2.674   97.619   87.279
LGA    L    43_A      L    43_A     0.969     0    0.053   0.051     1.278   85.952   83.690
LGA    A    44_A      A    44_A     1.404     0    0.031   0.037     1.800   77.143   78.000
LGA    P    45_A      P    45_A     1.929     0    0.023   0.061     2.242   68.810   70.544
LGA    C    46_A      C    46_A     2.235     0    0.041   0.049     2.419   64.762   64.762
LGA    A    47_A      A    47_A     1.825     0    0.643   0.608     2.760   71.071   68.286
LGA    P    48_A      P    48_A     4.038     0    0.152   0.291     6.000   40.119   38.299
LGA    S    49_A      S    49_A     2.547     0    0.183   0.168     3.338   62.857   58.571
LGA    P    50_A      P    50_A     2.540     0    0.072   0.079     2.612   60.952   60.408
LGA    C    51_A      C    51_A     2.606     0    0.116   0.151     3.110   55.357   55.952
LGA    R    52_A      R    52_A     2.248     0    0.029   1.136     4.026   64.762   62.251
LGA    N    53_A      N    53_A     2.066     0    0.039   0.134     2.167   64.762   67.798
LGA    G    54_A      G    54_A     2.216     0    0.041   0.041     2.252   64.762   64.762
LGA    G    55_A      G    55_A     2.163     0    0.051   0.051     2.302   64.762   64.762
LGA    E    56_A      E    56_A     2.384     0    0.008   1.219     6.678   64.762   47.566
LGA    C    57_A      C    57_A     2.413     0    0.042   0.045     2.414   64.762   64.762
LGA    R    58_A      R    58_A     2.428     0    0.031   1.305     6.164   64.762   54.632
LGA    Q    59_A      Q    59_A     2.302     0    0.018   1.030     3.780   64.762   63.280
LGA    S    60_A      S    60_A     2.853     0    0.017   0.109     2.989   59.048   59.683
LGA    E    61_A      E    61_A     3.128     0    0.021   0.731     4.742   53.571   46.561
LGA    D    62_A      D    62_A     2.647     0    0.034   0.324     3.387   59.048   57.202
LGA    Y    63_A      Y    63_A     2.395     0    0.053   0.080     2.641   62.857   61.587
LGA    E    64_A      E    64_A     2.421     0    0.030   0.860     4.372   60.952   55.820
LGA    S    65_A      S    65_A     2.853     0    0.063   0.106     3.371   57.143   54.762
LGA    F    66_A      F    66_A     2.567     0    0.028   0.102     2.665   59.048   59.913
LGA    S    67_A      S    67_A     2.469     0    0.058   0.087     2.626   62.857   63.492
LGA    C    68_A      C    68_A     2.150     0    0.041   0.050     2.277   64.762   64.762
LGA    V    69_A      V    69_A     2.081     0    0.011   0.032     2.200   66.786   65.918
LGA    C    70_A      C    70_A     1.972     0    0.038   0.039     2.044   72.857   71.508
LGA    P    71_A      P    71_A     2.007     0    0.009   0.052     2.089   68.810   68.231
LGA    T    72_A      T    72_A     1.860     0    0.012   0.033     2.087   70.833   70.544
LGA    G    73_A      G    73_A     1.569     0    0.043   0.043     1.665   72.857   72.857
LGA    W    74_A      W    74_A     1.891     0    0.052   0.142     2.271   72.857   67.075
LGA    Q    75_A      Q    75_A     1.777     0    0.032   0.337     2.115   72.857   72.910
LGA    G    76_A      G    76_A     1.921     0    0.029   0.029     2.146   68.810   68.810
LGA    Q    77_A      Q    77_A     2.045     0    0.017   0.090     2.143   64.762   67.460
LGA    T    78_A      T    78_A     2.200     0    0.021   0.061     2.289   64.762   64.762
LGA    C    79_A      C    79_A     2.211     0    0.023   0.054     2.323   64.762   64.762
LGA    E    80_A      E    80_A     2.185     0    0.056   0.956     7.027   64.762   48.466
LGA    V    81_A      V    81_A     1.939     0    0.047   0.049     1.960   72.857   72.857
LGA    D    82_A      D    82_A     1.994     0    0.043   0.098     2.240   72.976   68.869
LGA    I    83_A      I    83_A     1.336     0    0.058   0.058     1.622   79.286   81.488
LGA    N    84_A      N    84_A     0.897     0    0.051   0.067     1.259   90.476   87.083
LGA    E    85_A      E    85_A     0.458     0    0.027   0.088     1.056   97.619   91.640
LGA    C    86_A      C    86_A     0.711     0    0.085   0.092     0.882   90.476   90.476
LGA    V    87_A      V    87_A     0.736     0    0.059   0.072     1.096   88.214   89.184
LGA    L    88_A      L    88_A     1.091     0    0.464   0.352     4.813   83.929   64.048
LGA    S    89_A      S    89_A     1.438     0    0.370   0.725     4.700   79.405   68.968
LGA    P    90_A      P    90_A     1.601     0    0.150   0.213     1.976   72.857   72.857
LGA    C    91_A      C    91_A     1.952     0    0.025   0.051     2.326   68.810   71.587
LGA    R    92_A      R    92_A     3.139     0    0.035   1.358     6.325   51.786   44.978
LGA    H    93_A      H    93_A     4.222     0    0.064   0.077     4.909   38.690   35.476
LGA    G    94_A      G    94_A     4.052     0    0.110   0.110     4.052   41.786   41.786
LGA    A    95_A      A    95_A     2.993     0    0.015   0.024     3.355   55.357   55.714
LGA    S    96_A      S    96_A     2.519     0    0.042   0.087     2.741   60.952   59.683
LGA    C    97_A      C    97_A     1.387     0    0.018   0.037     1.723   77.143   80.079
LGA    Q    98_A      Q    98_A     1.454     0    0.010   0.207     2.636   83.690   75.926
LGA    N    99_A      N    99_A     1.634     0    0.068   0.258     2.965   70.833   68.869
LGA    T   100_A      T   100_A     2.420     0    0.031   0.105     2.728   62.976   64.898
LGA    H   101_A      H   101_A     3.466     0    0.024   1.153     6.812   48.333   38.571
LGA    G   102_A      G   102_A     3.226     0    0.101   0.101     3.226   53.571   53.571
LGA    G   103_A      G   103_A     2.309     0    0.046   0.046     2.569   69.048   69.048
LGA    Y   104_A      Y   104_A     0.977     0    0.044   0.099     1.743   86.071   84.524
LGA    R   105_A      R   105_A     0.486     0    0.041   1.203     4.820   90.595   74.329
LGA    C   106_A      C   106_A     1.195     0    0.046   0.090     1.647   79.405   80.079
LGA    H   107_A      H   107_A     2.001     0    0.066   1.133     3.217   66.786   64.143
LGA    C   108_A      C   108_A     2.342     0    0.006   0.070     2.716   60.952   63.571
LGA    Q   109_A      Q   109_A     3.248     0    0.031   0.646     6.035   50.119   42.275
LGA    A   110_A      A   110_A     4.175     0    0.043   0.047     4.827   37.262   36.095
LGA    G   111_A      G   111_A     4.134     0    0.134   0.134     4.134   38.690   38.690
LGA    Y   112_A      Y   112_A     3.436     0    0.037   0.113     5.987   51.905   39.087
LGA    S   113_A      S   113_A     2.354     0    0.030   0.134     2.890   60.952   60.952
LGA    G   114_A      G   114_A     2.151     0    0.031   0.031     2.151   70.952   70.952
LGA    R   115_A      R   115_A     1.679     0    0.012   0.687     4.165   75.000   67.532
LGA    N   116_A      N   116_A     2.066     0    0.012   0.293     2.663   64.762   65.893
LGA    C   117_A      C   117_A     2.645     0    0.029   0.044     3.283   55.476   57.302
LGA    E   118_A      E   118_A     3.539     0    0.060   0.114     4.172   41.905   46.455
LGA    T   119_A      T   119_A     4.761     0    0.522   0.520     5.097   32.857   31.497

# 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):     2.551          2.552                  2.788           64.172   61.737

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    106    2.33    75.000    79.199     4.358

LGA_LOCAL      RMSD:   2.332  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.604  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.551  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.574941 * X  +   0.304233 * Y  +   0.759529 * Z  +   6.361758
  Y_new =   0.095391 * X  +   0.946893 * Y  +  -0.307074 * Z  +  19.280115
  Z_new =  -0.812615 * X  +  -0.104098 * Y  +  -0.573429 * Z  +  27.456970 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.977177  0.948625 -2.962013   [DEG:  170.5797   54.3522 -169.7108 ]
ZXZ:  1.186592  2.181481 -1.698204   [DEG:   67.9867  124.9897  -97.2999 ]
 
# END of job
