
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:   105      22_A - 126_A       1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.95     1.89
  LCS_AVERAGE:     51.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     68  105  105      3   10   25   57   88  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  105  105     19   56   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  105  105     24   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  105  105     17   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  105  105     24   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  105  105     36   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  105  105     28   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  105  105     36   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  105  105     34   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  105  105     17   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  105  105     24   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  105  105     24   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  105  105     24   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  105  105     24   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  105  105     28   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  105  105     38   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  105  105     42   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  105  105     42   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  105  105     36   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  105  105     33   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  105  105     23   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  105  105     36   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  105  105     34   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  105  105      3    9   15   89   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  105  105     41   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  105  105     20   67   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  105  105     28   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  105  105     26   67   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  105  105     12   56   80   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  105  105      3    5   36   94   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     67  105  105      3    3    7   12   27   86  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  105  105      3   29   65   90   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    4   49   65   86  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     30  105  105      8   36   72   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     30  105  105      8   58   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     30  105  105     23   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     30  105  105     17   60   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     30  105  105     13   53   77   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     30  105  105      3   39   73   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     30  105  105      4    5   53   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     30  105  105      6   26   68   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     30  105  105      5   18   59   80   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     30  105  105      5   42   72   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     30  105  105     23   62   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     30  105  105      4   46   81   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     30  105  105     14   62   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     30  105  105     19   56   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     30  105  105     20   60   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     30  105  105     17   61   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     30  105  105     30   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     30  105  105     30   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     30  105  105     27   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     30  105  105     22   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     30  105  105     13   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     30  105  105     20   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     30  105  105     44   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     30  105  105     36   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     30  105  105     33   68   84   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     24  105  105     10   54   82   95   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     23  105  105      3    6   79   94   99  100  101  103  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4    4    5   18   22   59   88  104  104  104  104  104  104  104  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    4    4    5    5    5    5    6    6    9   10   12   50   61   84  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.76  (  51.28  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     44     68     84     95     99    100    101    103    104    104    104    104    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  41.90  64.76  80.00  90.48  94.29  95.24  96.19  98.10  99.05  99.05  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.58   0.82   1.03   1.12   1.16   1.22   1.33   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.73   1.73   1.73   1.73   1.73
GDT RMS_ALL_AT   2.03   1.86   1.78   1.75   1.75   1.74   1.74   1.75   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.73   1.73   1.73   1.73   1.73

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.868     0    0.263   0.879     5.375   52.143   43.333
LGA    K    23_A      K    23_A     1.666     0    0.138   0.730     3.434   70.833   68.571
LGA    V    24_A      V    24_A     1.159     0    0.019   0.041     1.297   81.429   82.721
LGA    H    25_A      H    25_A     1.153     0    0.054   0.069     1.353   81.429   81.429
LGA    I    26_A      I    26_A     0.862     0    0.016   1.479     3.408   90.476   77.083
LGA    I    27_A      I    27_A     0.466     0    0.043   0.075     0.625   95.238   92.857
LGA    K    28_A      K    28_A     0.313     0    0.021   0.124     1.176  100.000   95.820
LGA    C    29_A      C    29_A     0.412     0    0.015   0.036     0.510  100.000   98.413
LGA    H    30_A      H    30_A     0.520     0    0.031   0.164     0.714   92.857   95.238
LGA    F    31_A      F    31_A     0.711     0    0.025   0.036     1.137   90.476   87.186
LGA    D    32_A      D    32_A     0.691     0    0.008   0.351     1.491   90.476   90.536
LGA    K    33_A      K    33_A     0.923     0    0.046   0.742     3.345   85.952   76.455
LGA    C    34_A      C    34_A     0.838     0    0.020   0.060     1.104   90.476   88.968
LGA    N    35_A      N    35_A     0.581     0    0.016   0.233     1.446   95.238   92.917
LGA    K    36_A      K    36_A     0.331     0    0.019   0.609     2.256  100.000   87.037
LGA    S    37_A      S    37_A     0.355     0    0.026   0.045     0.365  100.000  100.000
LGA    Y    38_A      Y    38_A     0.499     0    0.006   0.145     1.084  100.000   92.143
LGA    N    39_A      N    39_A     0.533     0    0.108   0.570     2.394   95.238   89.643
LGA    W    40_A      W    40_A     0.865     0    0.044   0.108     0.981   90.476   90.476
LGA    R    41_A      R    41_A     1.355     0    0.061   1.049     4.941   81.429   66.710
LGA    K    42_A      K    42_A     1.421     0    0.035   0.717     3.139   81.429   76.032
LGA    K    43_A      K    43_A     1.456     0    0.025   0.634     5.190   81.429   67.937
LGA    Y    44_A      Y    44_A     1.433     0    0.103   0.256     3.207   81.429   67.857
LGA    G    45_A      G    45_A     0.795     0    0.035   0.035     1.121   92.976   92.976
LGA    K    46_A      K    46_A     0.225     0    0.032   0.579     1.983  100.000   91.852
LGA    L    47_A      L    47_A     0.206     0    0.021   0.109     0.671  100.000   97.619
LGA    R    48_A      R    48_A     0.281     0    0.012   0.965     4.813  100.000   76.320
LGA    L    49_A      L    49_A     0.301     0    0.009   0.030     0.597  100.000   97.619
LGA    V    50_A      V    50_A     0.358     0    0.014   0.059     0.533   97.619   98.639
LGA    D    51_A      D    51_A     0.243     0    0.015   0.032     0.659  100.000   96.429
LGA    H    52_A      H    52_A     0.301     0    0.026   0.137     1.727   97.619   87.095
LGA    A    53_A      A    53_A     0.717     0    0.020   0.023     0.905   90.476   90.476
LGA    F    54_A      F    54_A     0.666     0    0.044   0.859     3.169   95.238   75.498
LGA    T    55_A      T    55_A     0.316     0    0.015   0.019     0.674   97.619   94.558
LGA    H    56_A      H    56_A     0.600     0    0.066   0.091     1.304   92.857   86.905
LGA    V    57_A      V    57_A     0.437     0    0.142   0.153     1.383   90.714   93.333
LGA    P    58_A      P    58_A     2.337     0    0.655   0.594     3.852   61.429   61.905
LGA    H    59_A      H    59_A     1.412     0    0.080   1.097     7.554   81.429   50.048
LGA    L    60_A      L    60_A     1.343     0    0.048   0.109     1.949   79.286   77.143
LGA    K    61_A      K    61_A     1.003     0    0.037   0.892     1.736   88.214   85.608
LGA    M    62_A      M    62_A     1.018     0    0.026   0.811     3.236   83.690   78.631
LGA    K    63_A      K    63_A     1.202     0    0.022   1.011     6.805   81.429   60.212
LGA    C    64_A      C    64_A     1.310     0    0.023   0.034     1.561   79.286   80.000
LGA    N    65_A      N    65_A     1.642     0    0.044   0.134     1.979   79.286   76.071
LGA    F    66_A      F    66_A     1.325     0    0.046   0.170     1.694   81.429   79.091
LGA    C    67_A      C    67_A     1.324     0    0.026   0.047     1.425   81.429   81.429
LGA    D    68_A      D    68_A     1.323     0    0.020   0.426     2.593   81.429   77.321
LGA    Y    69_A      Y    69_A     0.957     0    0.019   0.036     1.133   83.690   92.183
LGA    M    70_A      M    70_A     1.091     0    0.050   0.168     1.675   81.429   80.357
LGA    C    71_A      C    71_A     0.922     0    0.051   0.090     1.194   85.952   87.460
LGA    K    72_A      K    72_A     0.483     0    0.083   0.661     2.043   92.857   88.836
LGA    G    73_A      G    73_A     0.698     0    0.071   0.071     0.698   95.238   95.238
LGA    I    74_A      I    74_A     0.297     0    0.012   0.065     0.736  100.000   96.429
LGA    R    75_A      R    75_A     0.257     0    0.009   0.688     2.784  100.000   80.087
LGA    N    76_A      N    76_A     0.221     0    0.007   0.068     0.763  100.000   96.429
LGA    I    77_A      I    77_A     0.293     0    0.008   0.061     0.617   97.619   95.238
LGA    R    78_A      R    78_A     0.629     0    0.010   0.150     1.125   92.857   88.874
LGA    L    79_A      L    79_A     0.558     0    0.025   1.401     3.977   95.238   79.583
LGA    H    80_A      H    80_A     0.393     0    0.012   0.096     0.890   95.238   95.238
LGA    H    81_A      H    81_A     0.600     0    0.012   1.151     5.895   90.476   65.190
LGA    K    82_A      K    82_A     0.794     0    0.018   0.582     2.944   90.476   86.772
LGA    K    83_A      K    83_A     0.470     0    0.010   0.252     1.942  100.000   89.788
LGA    S    84_A      S    84_A     0.207     0    0.029   0.055     0.484  100.000  100.000
LGA    H    85_A      H    85_A     0.805     0    0.008   0.103     1.148   88.214   89.571
LGA    P    86_A      P    86_A     1.389     0    0.061   0.099     2.003   75.119   80.408
LGA    D    87_A      D    87_A     2.076     0    0.049   1.080     5.907   70.833   53.393
LGA    E    88_A      E    88_A     1.173     0    0.237   0.245     2.373   81.429   78.677
LGA    Q    89_A      Q    89_A     2.184     0    0.650   0.978     8.238   61.190   39.947
LGA    L    90_A      L    90_A     4.237     0    0.065   1.357    11.442   45.238   24.643
LGA    T    91_A      T    91_A     2.819     0    0.048   0.865     6.037   60.952   45.646
LGA    G    92_A      G    92_A     3.880     0    0.670   0.670     4.649   43.810   43.810
LGA    F    93_A      F    93_A     2.006     0    0.513   1.241     5.244   77.619   52.165
LGA    G    94_A      G    94_A     1.228     0    0.025   0.025     1.498   81.429   81.429
LGA    I    95_A      I    95_A     0.766     0    0.073   1.060     2.921   88.214   82.917
LGA    K    96_A      K    96_A     1.411     0    0.251   0.690     4.567   73.214   65.767
LGA    S    97_A      S    97_A     1.845     0    0.127   0.148     1.971   75.000   74.286
LGA    V    98_A      V    98_A     1.829     0    0.071   0.090     2.232   70.833   68.231
LGA    V    99_A      V    99_A     2.059     0    0.042   0.066     2.667   70.833   67.143
LGA    R   100_A      R   100_A     2.364     0    0.088   0.929     4.073   59.167   54.199
LGA    T   101_A      T   101_A     3.094     0    0.035   0.993     5.829   53.571   50.272
LGA    S   102_A      S   102_A     2.331     0    0.069   0.135     2.345   68.810   67.460
LGA    K   103_A      K   103_A     0.945     0    0.019   0.039     1.576   83.810   84.550
LGA    K   104_A      K   104_A     1.685     4    0.025   0.024     2.212   75.000   40.529
LGA    G   105_A      G   105_A     1.050     0    0.124   0.124     1.086   85.952   85.952
LGA    K   106_A      K   106_A     1.452     0    0.067   1.015     4.676   79.286   66.825
LGA    D   107_A      D   107_A     1.180     0    0.025   0.158     1.848   83.690   80.417
LGA    L   108_A      L   108_A     1.088     0    0.017   1.415     4.635   85.952   69.583
LGA    A   109_A      A   109_A     0.444     0    0.043   0.046     0.738   97.619   96.190
LGA    K   110_A      K   110_A     0.408     0    0.009   0.760     2.168   95.238   85.079
LGA    V   111_A      V   111_A     0.608     0    0.051   0.917     2.577   90.476   83.197
LGA    W   112_A      W   112_A     0.305     0    0.011   0.130     1.177   97.619   93.265
LGA    D   113_A      D   113_A     0.454     0    0.011   0.917     3.397   95.238   83.571
LGA    E   114_A      E   114_A     0.817     0    0.012   0.125     1.457   88.214   86.455
LGA    C   115_A      C   115_A     0.730     0    0.017   0.029     0.808   90.476   90.476
LGA    F   116_A      F   116_A     0.874     0    0.054   0.177     1.504   90.476   85.584
LGA    K   117_A      K   117_A     1.120     0    0.017   0.595     4.154   83.690   65.556
LGA    K   118_A      K   118_A     0.853     0    0.025   0.030     1.107   90.476   88.466
LGA    N   119_A      N   119_A     0.320     0    0.033   0.078     0.464  100.000  100.000
LGA    R   120_A      R   120_A     0.726     6    0.011   0.011     1.042   90.476   40.303
LGA    V   121_A      V   121_A     0.556     0    0.063   1.130     3.422   92.857   81.293
LGA    L   122_A      L   122_A     0.706     0    0.016   0.072     1.353   88.214   89.405
LGA    Q   123_A      Q   123_A     1.729     0    0.645   0.866     4.321   64.048   58.466
LGA    H   124_A      H   124_A     2.202     0    0.595   1.208     9.581   72.976   36.143
LGA    G   125_A      G   125_A     5.274     0    0.096   0.096     9.517   20.952   20.952
LGA    S   126_A      S   126_A    10.441     0    0.012   0.672    11.523    1.786    1.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     1.732          1.752                  2.260           84.314   77.595

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.33    88.333    93.839     7.187

LGA_LOCAL      RMSD:   1.333  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.745  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.732  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.263876 * X  +  -0.333689 * Y  +   0.904998 * Z  +   6.307639
  Y_new =  -0.962326 * X  +  -0.154847 * Y  +   0.223497 * Z  + -25.798286
  Z_new =   0.065558 * X  +  -0.929878 * Y  +  -0.361978 * Z  +   9.780698 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.303168 -0.065605 -1.942023   [DEG:  -74.6660   -3.7589 -111.2697 ]
ZXZ:  1.812911  1.941186  3.071208   [DEG:  103.8721  111.2217  175.9672 ]
 
# END of job
