
#######################################################
#                                                     #
#                        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       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.93     1.76
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.94     1.72
  LCS_AVERAGE:     48.91

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     69  105  105      3   18   61   85   99  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69  105  105     29   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69  105  105     45   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69  105  105     35   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69  105  105     45   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69  105  105     37   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69  105  105     33   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69  105  105     33   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69  105  105     33   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69  105  105     45   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69  105  105     39   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69  105  105     21   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69  105  105     38   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69  105  105      3    4   80   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69  105  105     32   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69  105  105     28   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69  105  105     32   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69  105  105     32   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69  105  105     32   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69  105  105     28   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69  105  105      7   57   84   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69  105  105     32   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69  105  105      4   18   63   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69  105  105      3    4    4    5   25   79  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69  105  105      3   18   45   73  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3   22   53   73   91  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   31   75   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105      5   63   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105     14   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105     25   71   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105     31   63   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  105  105     25   58   87   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  105  105      8   21   75   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  105  105      5   48   87   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  105  105     16   63   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      7  105  105      4   17   70   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     21  105  105      4   27   53   90  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     21  105  105     13   55   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     21  105  105      8   41   79   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     21  105  105     13   53   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     21  105  105     13   65   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     21  105  105     13   63   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     21  105  105     38   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     21  105  105     43   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     21  105  105     40   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     21  105  105     17   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     21  105  105     36   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     21  105  105     46   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     21  105  105     38   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     21  105  105     35   74   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     21  105  105      4   52   88   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     21  105  105      3   21   84   98  100  101  103  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    3    4    4   17   31   56   86  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    3    4    4    4    4    6    7    7    8   11   22   53  101  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  82.97  (  48.91  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     46     74     88     98    100    101    103    103    103    104    104    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  43.81  70.48  83.81  93.33  95.24  96.19  98.10  98.10  98.10  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    0.32   0.54   0.77   0.98   1.05   1.10   1.20   1.20   1.20   1.31   1.31   1.31   1.31   1.31   1.65   1.65   1.65   1.65   1.65   1.65
GDT RMS_ALL_AT   1.77   1.72   1.67   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.65   1.65   1.65   1.65   1.65   1.65

# 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     3.410     0    0.329   1.068     5.795   55.714   46.845
LGA    K    23_A      K    23_A     1.110     0    0.138   0.785     4.030   81.548   72.910
LGA    V    24_A      V    24_A     0.425     0    0.031   0.055     0.675   92.857   94.558
LGA    H    25_A      H    25_A     0.707     0    0.065   0.084     1.210   90.476   87.762
LGA    I    26_A      I    26_A     0.541     0    0.007   1.249     3.277   90.476   78.036
LGA    I    27_A      I    27_A     0.468     0    0.041   0.067     0.642   95.238   95.238
LGA    K    28_A      K    28_A     0.529     0    0.012   0.110     1.345   97.619   91.640
LGA    C    29_A      C    29_A     0.491     0    0.038   0.084     0.919   95.238   93.651
LGA    H    30_A      H    30_A     0.626     0    0.008   0.185     0.856   90.476   94.286
LGA    F    31_A      F    31_A     0.779     0    0.037   0.053     0.873   90.476   90.476
LGA    D    32_A      D    32_A     0.773     0    0.037   0.361     1.096   90.476   90.536
LGA    K    33_A      K    33_A     0.715     0    0.057   0.886     3.903   90.476   79.735
LGA    C    34_A      C    34_A     0.812     0    0.117   0.122     0.868   90.476   90.476
LGA    N    35_A      N    35_A     0.741     0    0.031   0.164     1.288   90.476   87.083
LGA    K    36_A      K    36_A     0.585     0    0.042   0.796     2.545   90.476   79.259
LGA    S    37_A      S    37_A     0.602     0    0.033   0.067     0.957   90.476   90.476
LGA    Y    38_A      Y    38_A     0.411     0    0.052   0.117     1.317  100.000   92.183
LGA    N    39_A      N    39_A     0.161     0    0.130   0.609     2.043  100.000   94.405
LGA    W    40_A      W    40_A     0.480     0    0.016   0.118     0.734   92.857   94.558
LGA    R    41_A      R    41_A     0.817     0    0.049   1.060     4.493   88.214   76.970
LGA    K    42_A      K    42_A     1.125     0    0.012   0.888     4.241   83.690   74.709
LGA    K    43_A      K    43_A     1.403     0    0.023   0.820     7.599   81.429   58.571
LGA    Y    44_A      Y    44_A     1.187     0    0.143   0.283     2.262   83.690   75.873
LGA    G    45_A      G    45_A     0.617     0    0.027   0.027     0.941   92.857   92.857
LGA    K    46_A      K    46_A     0.163     0    0.056   0.566     1.570  100.000   92.804
LGA    L    47_A      L    47_A     0.077     0    0.024   0.091     0.616  100.000   98.810
LGA    R    48_A      R    48_A     0.059     0    0.020   1.013     4.866  100.000   79.740
LGA    L    49_A      L    49_A     0.151     0    0.010   0.040     0.199  100.000  100.000
LGA    V    50_A      V    50_A     0.371     0    0.031   0.053     0.452  100.000  100.000
LGA    D    51_A      D    51_A     0.405     0    0.035   0.135     0.641   97.619   95.238
LGA    H    52_A      H    52_A     0.130     0    0.045   0.234     1.447  100.000   92.524
LGA    A    53_A      A    53_A     0.635     0    0.019   0.028     0.794   92.857   92.381
LGA    F    54_A      F    54_A     0.874     0    0.022   0.837     3.495   90.476   70.952
LGA    T    55_A      T    55_A     0.595     0    0.047   0.076     1.002   97.619   93.265
LGA    H    56_A      H    56_A     0.353     0    0.042   0.197     1.026   97.619   93.381
LGA    V    57_A      V    57_A     0.441     0    0.173   0.158     1.196   92.976   94.626
LGA    P    58_A      P    58_A     2.122     0    0.656   0.627     3.968   65.595   65.306
LGA    H    59_A      H    59_A     1.038     0    0.085   1.123     7.416   88.214   54.524
LGA    L    60_A      L    60_A     0.881     0    0.092   0.124     1.619   88.214   83.750
LGA    K    61_A      K    61_A     0.631     0    0.013   0.898     2.006   92.857   87.725
LGA    M    62_A      M    62_A     0.891     0    0.050   0.787     3.188   90.476   85.417
LGA    K    63_A      K    63_A     0.897     0    0.037   1.086     7.606   90.476   63.545
LGA    C    64_A      C    64_A     0.997     0    0.048   0.100     1.444   85.952   85.952
LGA    N    65_A      N    65_A     1.472     0    0.083   0.168     2.197   81.429   75.119
LGA    F    66_A      F    66_A     1.066     0    0.015   0.098     1.435   85.952   83.896
LGA    C    67_A      C    67_A     1.031     0    0.056   0.092     1.120   81.429   82.937
LGA    D    68_A      D    68_A     1.185     0    0.043   0.289     2.433   81.429   77.202
LGA    Y    69_A      Y    69_A     0.762     0    0.052   0.047     0.867   90.476   94.444
LGA    M    70_A      M    70_A     0.767     0    0.084   0.199     1.714   90.476   86.012
LGA    C    71_A      C    71_A     0.602     0    0.074   0.118     0.782   90.476   93.651
LGA    K    72_A      K    72_A     0.298     0    0.026   0.702     2.187  100.000   93.069
LGA    G    73_A      G    73_A     0.502     0    0.055   0.055     0.502   97.619   97.619
LGA    I    74_A      I    74_A     0.214     0    0.031   0.088     0.631  100.000   98.810
LGA    R    75_A      R    75_A     0.538     0    0.021   0.897     2.290   92.857   78.788
LGA    N    76_A      N    76_A     0.496     0    0.043   0.101     0.727  100.000   95.238
LGA    I    77_A      I    77_A     0.173     0    0.040   0.084     0.372  100.000  100.000
LGA    R    78_A      R    78_A     0.346     0    0.020   0.290     1.232  100.000   94.848
LGA    L    79_A      L    79_A     0.425     0    0.029   1.396     3.863  100.000   81.310
LGA    H    80_A      H    80_A     0.240     0    0.080   0.175     0.824  100.000   97.143
LGA    H    81_A      H    81_A     0.207     0    0.048   1.345     5.901  100.000   69.381
LGA    K    82_A      K    82_A     0.373     0    0.084   0.553     2.080   97.619   95.026
LGA    K    83_A      K    83_A     0.339     0    0.048   0.399     2.532  100.000   88.042
LGA    S    84_A      S    84_A     0.434     0    0.012   0.037     0.581   97.619   95.238
LGA    H    85_A      H    85_A     0.594     0    0.015   0.116     0.813   92.857   91.429
LGA    P    86_A      P    86_A     0.959     0    0.096   0.099     1.710   83.810   86.667
LGA    D    87_A      D    87_A     1.855     0    0.020   1.178     5.812   72.857   55.774
LGA    E    88_A      E    88_A     0.930     0    0.191   0.283     2.665   88.214   81.799
LGA    Q    89_A      Q    89_A     2.030     0    0.627   1.047     5.651   65.238   48.889
LGA    L    90_A      L    90_A     3.862     0    0.173   1.437    11.020   50.357   28.036
LGA    T    91_A      T    91_A     2.957     0    0.069   0.830     6.409   62.976   45.374
LGA    G    92_A      G    92_A     3.439     0    0.097   0.097     3.708   61.905   61.905
LGA    F    93_A      F    93_A     2.287     0    0.588   1.326     4.879   72.976   53.160
LGA    G    94_A      G    94_A     1.322     0    0.033   0.033     1.690   79.286   79.286
LGA    I    95_A      I    95_A     0.969     0    0.097   1.061     3.097   85.952   80.893
LGA    K    96_A      K    96_A     1.097     0    0.273   0.706     4.071   79.524   72.857
LGA    S    97_A      S    97_A     1.387     0    0.235   0.646     3.516   83.690   76.587
LGA    V    98_A      V    98_A     1.672     0    0.048   0.047     2.156   72.857   70.544
LGA    V    99_A      V    99_A     2.127     0    0.061   0.062     2.956   68.810   63.810
LGA    R   100_A      R   100_A     1.776     0    0.096   0.858     2.313   70.833   76.061
LGA    T   101_A      T   101_A     1.415     0    0.103   1.139     3.799   83.810   78.776
LGA    S   102_A      S   102_A     1.894     0    0.064   0.638     3.328   75.000   67.857
LGA    K   103_A      K   103_A     2.509     0    0.104   0.128     7.195   62.976   42.540
LGA    K   104_A      K   104_A     1.663     4    0.324   0.328     2.232   77.262   41.534
LGA    G   105_A      G   105_A     2.075     0    0.014   0.014     2.075   68.810   68.810
LGA    K   106_A      K   106_A     1.639     0    0.016   1.040     2.321   77.143   75.767
LGA    D   107_A      D   107_A     1.224     0    0.084   0.082     1.962   83.690   79.345
LGA    L   108_A      L   108_A     1.208     0    0.040   1.417     4.763   85.952   67.679
LGA    A   109_A      A   109_A     0.654     0    0.061   0.071     1.046   95.238   92.476
LGA    K   110_A      K   110_A     0.178     0    0.061   1.273     5.560  100.000   73.069
LGA    V   111_A      V   111_A     0.334     0    0.031   0.866     2.353  100.000   91.088
LGA    W   112_A      W   112_A     0.223     0    0.011   0.077     0.907   97.619   93.197
LGA    D   113_A      D   113_A     0.598     0    0.073   0.927     3.154   92.857   82.202
LGA    E   114_A      E   114_A     0.696     0    0.070   0.373     1.328   88.214   88.466
LGA    C   115_A      C   115_A     0.549     0    0.030   0.058     0.797   92.857   92.063
LGA    F   116_A      F   116_A     0.802     0    0.041   0.103     1.200   90.476   88.009
LGA    K   117_A      K   117_A     0.929     0    0.022   0.645     3.065   90.476   73.862
LGA    K   118_A      K   118_A     0.647     0    0.020   0.102     0.720   90.476   90.476
LGA    N   119_A      N   119_A     0.480     0    0.062   0.092     0.577   95.238   96.429
LGA    R   120_A      R   120_A     0.619     6    0.042   0.041     0.789   90.476   41.126
LGA    V   121_A      V   121_A     0.785     0    0.055   1.203     3.256   88.214   78.639
LGA    L   122_A      L   122_A     0.805     0    0.050   0.095     1.132   88.214   89.405
LGA    Q   123_A      Q   123_A     1.550     0    0.612   0.698     4.108   64.048   67.143
LGA    H   124_A      H   124_A     1.962     0    0.513   1.263     9.512   72.976   36.238
LGA    G   125_A      G   125_A     5.540     0    0.070   0.070     9.693   18.095   18.095
LGA    S   126_A      S   126_A    10.552     0    0.402   0.791    12.269    1.786    1.190

# 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):     1.648          1.675                  2.208           86.363   79.232

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.20    90.476    94.979     7.919

LGA_LOCAL      RMSD:   1.201  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.663  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.648  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.061436 * X  +  -0.075103 * Y  +   0.995282 * Z  +   5.806646
  Y_new =   0.720988 * X  +  -0.692904 * Y  +  -0.007781 * Z  + -23.826303
  Z_new =   0.690218 * X  +   0.717108 * Y  +   0.096717 * Z  +  15.993108 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.655801 -0.761791  1.436734   [DEG:   94.8704  -43.6474   82.3188 ]
ZXZ:  1.562978  1.473928  0.766293   [DEG:   89.5521   84.4499   43.9054 ]
 
# END of job
