
#######################################################
#                                                     #
#                        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       1.68     1.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.68     1.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      23_A - 89_A        0.98     1.73
  LCS_AVERAGE:     50.26

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     36  105  105      3   10   39   90   97  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     67  105  105     19   50   81   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     67  105  105     19   53   83   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     67  105  105     20   57   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     67  105  105     20   60   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     67  105  105     35   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     67  105  105     23   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     67  105  105     35   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     67  105  105     35   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     67  105  105     20   64   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     67  105  105     17   53   83   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     67  105  105     17   48   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     67  105  105     19   53   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     67  105  105     19   59   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     67  105  105     20   59   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     67  105  105     20   59   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     67  105  105      3    6   44   60   85  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     67  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     67  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     67  105  105     20   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     67  105  105     25   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     67  105  105     39   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     67  105  105     10   36   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     67  105  105     22   66   84   94   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     67  105  105     40   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     67  105  105     31   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     67  105  105     31   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     67  105  105     40   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     67  105  105     40   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     67  105  105     35   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     67  105  105     14   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     67  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     67  105  105      3    6   74   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     46  105  105      3    3    7    9   11   99  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     46  105  105     14   48   72   89   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105     14   37   50   73   91  100  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     29  105  105      5   33   71   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     29  105  105     16   52   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     29  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     29  105  105     21   59   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     29  105  105      5   25   75   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     29  105  105      5   25   83   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     29  105  105      5    8   61   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     29  105  105      5   33   83   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     29  105  105     16   52   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     29  105  105     20   56   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     29  105  105      3    5   74   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     29  105  105      8   23   67   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     29  105  105      8   50   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     29  105  105     12   64   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     29  105  105     16   64   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     29  105  105     22   64   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     29  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     29  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     29  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     29  105  105     24   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     29  105  105     17   63   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     29  105  105     32   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     29  105  105     42   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     29  105  105     36   66   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     25  105  105     27   65   84   95   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     24  105  105      3   20   75   93   98  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     22  105  105      3    5   34   71   97  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4    4    4   19   32   94  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    4    4    4    4    4    6    6    7   10   44   47   57  101  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.42  (  50.26  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     42     66     84     95     98    100    102    103    104    104    104    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  40.00  62.86  80.00  90.48  93.33  95.24  97.14  98.10  99.05  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.55   0.83   1.02   1.08   1.17   1.28   1.33   1.40   1.40   1.40   1.40   1.40   1.40   1.68   1.68   1.68   1.68   1.68   1.68
GDT RMS_ALL_AT   1.87   1.82   1.70   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.68   1.68   1.68   1.68   1.68   1.68

# 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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.358     0    0.260   0.984     5.028   53.810   47.262
LGA    K    23_A      K    23_A     1.909     0    0.132   0.731     2.883   70.833   69.312
LGA    V    24_A      V    24_A     1.708     0    0.026   0.054     2.003   72.857   71.701
LGA    H    25_A      H    25_A     1.371     0    0.039   0.084     1.473   81.429   81.429
LGA    I    26_A      I    26_A     1.271     0    0.019   1.482     3.445   85.952   71.905
LGA    I    27_A      I    27_A     0.546     0    0.048   0.067     0.833   92.857   91.667
LGA    K    28_A      K    28_A     0.133     0    0.029   0.122     1.129  100.000   95.820
LGA    C    29_A      C    29_A     0.228     0    0.013   0.043     0.429  100.000  100.000
LGA    H    30_A      H    30_A     0.328     0    0.023   1.140     2.474  100.000   89.095
LGA    F    31_A      F    31_A     0.372     0    0.045   0.060     0.706  100.000   93.939
LGA    D    32_A      D    32_A     0.276     0    0.010   0.352     0.980   97.619   96.429
LGA    K    33_A      K    33_A     0.680     0    0.034   0.754     2.878   90.595   82.116
LGA    C    34_A      C    34_A     0.594     0    0.019   0.053     0.823   95.238   93.651
LGA    N    35_A      N    35_A     0.417     0    0.016   0.176     1.037   97.619   94.107
LGA    K    36_A      K    36_A     0.185     0    0.039   0.851     2.925  100.000   81.799
LGA    S    37_A      S    37_A     0.564     0    0.024   0.048     0.791   92.857   92.063
LGA    Y    38_A      Y    38_A     1.035     0    0.026   0.143     1.366   83.690   83.690
LGA    N    39_A      N    39_A     1.630     0    0.054   0.512     3.143   75.000   70.060
LGA    W    40_A      W    40_A     1.555     0    0.035   0.068     1.666   77.143   80.272
LGA    R    41_A      R    41_A     1.552     0    0.045   0.985     4.003   77.143   64.762
LGA    K    42_A      K    42_A     1.217     0    0.019   0.752     3.720   81.429   76.296
LGA    K    43_A      K    43_A     1.271     0    0.076   0.606     2.065   79.286   78.624
LGA    Y    44_A      Y    44_A     1.298     0    0.597   1.360     3.110   77.619   62.778
LGA    G    45_A      G    45_A     3.678     0    0.661   0.661     3.678   57.500   57.500
LGA    K    46_A      K    46_A     0.362     0    0.234   0.811     4.481   95.357   75.661
LGA    L    47_A      L    47_A     0.041     0    0.036   0.101     0.599  100.000   97.619
LGA    R    48_A      R    48_A     0.292     0    0.005   1.026     3.800  100.000   87.359
LGA    L    49_A      L    49_A     0.406     0    0.005   0.040     0.758  100.000   95.238
LGA    V    50_A      V    50_A     0.455     0    0.006   0.042     0.584   97.619   95.918
LGA    D    51_A      D    51_A     0.243     0    0.017   0.031     0.590  100.000   97.619
LGA    H    52_A      H    52_A     0.387     0    0.030   0.151     1.848   95.238   86.143
LGA    A    53_A      A    53_A     0.804     0    0.016   0.018     0.996   90.476   90.476
LGA    F    54_A      F    54_A     0.696     0    0.047   0.849     3.193   95.238   75.498
LGA    T    55_A      T    55_A     0.327     0    0.014   0.020     0.606   97.619   97.279
LGA    H    56_A      H    56_A     0.590     0    0.051   0.117     1.125   92.857   89.619
LGA    V    57_A      V    57_A     0.357     0    0.097   0.105     0.983   95.238   95.918
LGA    P    58_A      P    58_A     1.456     0    0.637   0.631     3.396   73.571   74.490
LGA    H    59_A      H    59_A     1.501     0    0.050   1.109     7.651   79.286   48.429
LGA    L    60_A      L    60_A     1.252     0    0.051   0.122     1.780   81.429   79.286
LGA    K    61_A      K    61_A     1.035     0    0.045   0.898     1.903   88.214   86.561
LGA    M    62_A      M    62_A     0.902     0    0.029   0.798     3.155   90.476   85.417
LGA    K    63_A      K    63_A     1.062     0    0.037   1.017     6.314   81.429   62.751
LGA    C    64_A      C    64_A     1.106     0    0.019   0.045     1.331   81.429   82.937
LGA    N    65_A      N    65_A     1.359     0    0.047   0.131     1.782   81.429   77.143
LGA    F    66_A      F    66_A     0.939     0    0.035   0.121     1.340   88.214   86.364
LGA    C    67_A      C    67_A     1.044     0    0.026   0.049     1.164   81.429   81.429
LGA    D    68_A      D    68_A     1.180     0    0.022   0.401     2.312   81.429   79.345
LGA    Y    69_A      Y    69_A     0.804     0    0.015   0.018     0.936   90.476   94.444
LGA    M    70_A      M    70_A     0.863     0    0.033   0.142     1.218   90.476   88.214
LGA    C    71_A      C    71_A     0.740     0    0.030   0.070     0.928   90.476   90.476
LGA    K    72_A      K    72_A     0.457     0    0.063   0.671     1.537   95.238   90.688
LGA    G    73_A      G    73_A     0.627     0    0.076   0.076     0.627   97.619   97.619
LGA    I    74_A      I    74_A     0.399     0    0.007   0.063     0.987  100.000   95.238
LGA    R    75_A      R    75_A     0.370     0    0.000   0.762     3.075  100.000   80.173
LGA    N    76_A      N    76_A     0.251     0    0.006   0.064     0.619  100.000   97.619
LGA    I    77_A      I    77_A     0.236     0    0.014   0.088     0.548  100.000   98.810
LGA    R    78_A      R    78_A     0.593     0    0.005   0.159     1.271   92.857   88.874
LGA    L    79_A      L    79_A     0.550     0    0.030   1.398     4.053   97.619   79.048
LGA    H    80_A      H    80_A     0.405     0    0.013   0.082     0.569   97.619   98.095
LGA    H    81_A      H    81_A     0.520     0    0.001   1.388     5.897   92.857   65.571
LGA    K    82_A      K    82_A     0.730     0    0.013   0.578     2.798   90.476   86.772
LGA    K    83_A      K    83_A     0.629     0    0.013   0.287     2.157   92.857   85.714
LGA    S    84_A      S    84_A     0.135     0    0.024   0.061     0.269  100.000  100.000
LGA    H    85_A      H    85_A     0.473     0    0.016   0.088     0.736   95.238   96.190
LGA    P    86_A      P    86_A     1.111     0    0.052   0.080     1.578   81.548   84.082
LGA    D    87_A      D    87_A     1.597     0    0.067   1.123     5.529   79.286   60.000
LGA    E    88_A      E    88_A     0.882     0    0.240   0.353     2.744   85.952   80.794
LGA    Q    89_A      Q    89_A     1.938     0    0.646   1.051     5.202   65.595   51.587
LGA    L    90_A      L    90_A     4.074     0    0.059   1.383    11.292   48.571   27.143
LGA    T    91_A      T    91_A     2.682     0    0.037   0.874     5.987   60.952   46.939
LGA    G    92_A      G    92_A     3.723     0    0.679   0.679     4.470   45.238   45.238
LGA    F    93_A      F    93_A     2.170     0    0.512   1.237     5.070   77.619   53.203
LGA    G    94_A      G    94_A     1.440     0    0.038   0.038     1.739   79.286   79.286
LGA    I    95_A      I    95_A     0.510     0    0.087   1.073     2.650   90.476   84.048
LGA    K    96_A      K    96_A     1.208     0    0.252   0.709     4.868   77.381   67.619
LGA    S    97_A      S    97_A     2.000     0    0.139   0.155     2.359   70.833   68.810
LGA    V    98_A      V    98_A     1.724     0    0.042   0.057     2.092   72.857   71.701
LGA    V    99_A      V    99_A     2.129     0    0.031   0.043     2.884   70.833   64.966
LGA    R   100_A      R   100_A     1.701     0    0.115   0.827     3.311   72.857   69.351
LGA    T   101_A      T   101_A     1.427     0    0.056   1.015     3.835   81.429   76.054
LGA    S   102_A      S   102_A     1.313     0    0.074   0.662     2.957   83.690   77.460
LGA    K   103_A      K   103_A     2.124     0    0.028   0.262     6.171   66.905   47.989
LGA    K   104_A      K   104_A     1.880     4    0.311   0.306     2.838   77.262   40.688
LGA    G   105_A      G   105_A     1.267     0    0.024   0.024     1.499   83.690   83.690
LGA    K   106_A      K   106_A     1.092     0    0.003   0.978     2.005   85.952   81.640
LGA    D   107_A      D   107_A     0.951     0    0.034   0.071     1.556   88.214   83.750
LGA    L   108_A      L   108_A     0.980     0    0.014   1.411     4.656   90.476   71.012
LGA    A   109_A      A   109_A     0.407     0    0.049   0.051     0.645   97.619   96.190
LGA    K   110_A      K   110_A     0.302     0    0.011   1.254     5.529  100.000   74.497
LGA    V   111_A      V   111_A     0.467     0    0.047   0.913     2.530   97.619   87.279
LGA    W   112_A      W   112_A     0.290     0    0.005   0.195     1.163  100.000   95.306
LGA    D   113_A      D   113_A     0.282     0    0.012   0.176     0.730  100.000   98.810
LGA    E   114_A      E   114_A     0.524     0    0.022   0.798     3.143   92.857   78.466
LGA    C   115_A      C   115_A     0.492     0    0.018   0.043     0.674   95.238   93.651
LGA    F   116_A      F   116_A     0.891     0    0.071   0.210     1.487   85.952   84.719
LGA    K   117_A      K   117_A     1.403     0    0.019   0.595     4.878   79.286   59.894
LGA    K   118_A      K   118_A     0.993     0    0.034   0.037     1.287   90.476   86.455
LGA    N   119_A      N   119_A     0.358     0    0.034   0.068     0.727   95.238   97.619
LGA    R   120_A      R   120_A     0.668     6    0.011   0.010     0.894   95.238   42.857
LGA    V   121_A      V   121_A     0.173     0    0.070   1.146     3.250   95.238   83.742
LGA    L   122_A      L   122_A     1.016     0    0.034   0.076     1.767   81.548   86.071
LGA    Q   123_A      Q   123_A     2.352     0    0.637   0.862     4.812   57.976   51.111
LGA    H   124_A      H   124_A     3.189     0    0.591   1.056    11.267   69.762   32.381
LGA    G   125_A      G   125_A     4.754     0    0.153   0.153     8.428   24.881   24.881
LGA    S   126_A      S   126_A     9.881     0    0.349   0.761    11.653    2.619    1.825

# 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):     1.680          1.687                  2.246           85.054   77.916

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.33    87.857    93.701     7.226

LGA_LOCAL      RMSD:   1.325  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.694  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.680  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.095212 * X  +  -0.314888 * Y  +   0.944341 * Z  +   5.940269
  Y_new =   0.728136 * X  +  -0.668902 * Y  +  -0.149630 * Z  + -23.721140
  Z_new =   0.678788 * X  +   0.673362 * Y  +   0.292968 * Z  +  14.835378 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.700820 -0.746111  1.160416   [DEG:   97.4498  -42.7490   66.4870 ]
ZXZ:  1.413654  1.273466  0.789411   [DEG:   80.9964   72.9642   45.2299 ]
 
# END of job
