
#######################################################
#                                                     #
#                        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       1.66     1.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.66     1.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.92     1.75
  LONGEST_CONTINUOUS_SEGMENT:    68      23_A - 90_A        0.96     1.73
  LCS_AVERAGE:     51.33

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   14   30   62   90  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  105  105     34   70   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  105  105     44   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  105  105     34   70   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  105  105     31   67   85   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  105  105     31   70   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  105  105     37   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  105  105     44   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  105  105     45   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  105  105     33   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  105  105     27   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  105  105     40   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  105  105      4    6   54   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  105  105     25   72   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  105  105     47   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  105  105     38   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  105  105     37   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  105  105     29   72   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  105  105      7   41   79   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  105  105      3    5   27   73   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     68  105  105      3    3    6   12   24   49  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  105  105      3    5   34   63   87  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    3    4   45   84   89  100  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     30  105  105      5   50   71   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     30  105  105      5   49   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     30  105  105     16   58   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     30  105  105     19   59   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     30  105  105     34   59   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     30  105  105     34   56   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     30  105  105     16   50   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     30  105  105      5   53   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     30  105  105     20   61   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     30  105  105      4   41   73   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     30  105  105      4   17   58   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     30  105  105     16   39   70   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     30  105  105      7   28   61   89   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     30  105  105     16   41   71   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     30  105  105     16   53   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     30  105  105     16   56   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     30  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     30  105  105     41   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     30  105  105     41   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     30  105  105     46   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     30  105  105     48   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     30  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     30  105  105     34   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     30  105  105     18   73   88   95   99  101  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     21  105  105      3   41   81   95   99  101  101  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    3    4    4    5   19   64  102  104  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    9   10   12   85   89  101  103  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.78  (  51.33  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     48     73     88     95     99    101    101    103    104    104    104    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  45.71  69.52  83.81  90.48  94.29  96.19  96.19  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    0.33   0.55   0.81   0.97   1.07   1.19   1.19   1.32   1.40   1.40   1.40   1.40   1.40   1.40   1.66   1.66   1.66   1.66   1.66   1.66
GDT RMS_ALL_AT   1.79   1.72   1.67   1.66   1.67   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.66

# 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     3.765     0    0.338   0.799     6.707   52.143   38.929
LGA    K    23_A      K    23_A     1.030     0    0.147   0.805     4.220   79.524   72.063
LGA    V    24_A      V    24_A     0.434     0    0.034   0.045     0.679   97.619   97.279
LGA    H    25_A      H    25_A     0.577     0    0.058   0.083     0.878   92.857   91.429
LGA    I    26_A      I    26_A     0.505     0    0.005   1.265     3.091   92.857   79.226
LGA    I    27_A      I    27_A     0.516     0    0.043   0.082     0.629   90.476   90.476
LGA    K    28_A      K    28_A     0.541     0    0.007   0.123     1.224   92.857   89.524
LGA    C    29_A      C    29_A     0.576     0    0.039   0.092     0.954   90.476   90.476
LGA    H    30_A      H    30_A     0.770     0    0.021   1.149     2.433   88.214   81.762
LGA    F    31_A      F    31_A     0.977     0    0.033   0.072     1.048   90.476   88.009
LGA    D    32_A      D    32_A     1.062     0    0.027   0.309     1.371   81.429   84.881
LGA    K    33_A      K    33_A     0.999     0    0.050   0.886     4.336   88.214   74.339
LGA    C    34_A      C    34_A     1.055     0    0.127   0.154     1.167   81.429   82.937
LGA    N    35_A      N    35_A     1.094     0    0.037   0.107     1.843   81.429   79.286
LGA    K    36_A      K    36_A     0.681     0    0.044   0.873     3.168   90.476   77.619
LGA    S    37_A      S    37_A     0.647     0    0.034   0.066     0.945   90.476   90.476
LGA    Y    38_A      Y    38_A     0.477     0    0.078   0.118     1.093   97.619   92.103
LGA    N    39_A      N    39_A     0.274     0    0.082   0.452     1.941  100.000   95.417
LGA    W    40_A      W    40_A     0.525     0    0.018   0.128     0.790   90.476   93.878
LGA    R    41_A      R    41_A     0.948     0    0.045   1.012     4.665   85.952   71.645
LGA    K    42_A      K    42_A     1.406     0    0.012   0.795     4.315   77.143   64.974
LGA    K    43_A      K    43_A     1.806     0    0.023   0.852     8.112   72.857   52.540
LGA    Y    44_A      Y    44_A     1.502     0    0.147   0.272     2.821   77.143   69.643
LGA    G    45_A      G    45_A     0.921     0    0.035   0.035     1.234   88.214   88.214
LGA    K    46_A      K    46_A     0.244     0    0.056   0.537     1.484  100.000   93.757
LGA    L    47_A      L    47_A     0.311     0    0.024   0.102     0.313  100.000  100.000
LGA    R    48_A      R    48_A     0.344     0    0.030   0.951     5.738  100.000   69.654
LGA    L    49_A      L    49_A     0.253     0    0.016   0.043     0.321  100.000  100.000
LGA    V    50_A      V    50_A     0.493     0    0.032   0.065     0.545   95.238   94.558
LGA    D    51_A      D    51_A     0.604     0    0.017   0.118     1.176   90.476   88.214
LGA    H    52_A      H    52_A     0.112     0    0.037   0.238     1.376  100.000   92.524
LGA    A    53_A      A    53_A     0.640     0    0.022   0.032     0.802   92.857   92.381
LGA    F    54_A      F    54_A     0.910     0    0.027   0.837     3.717   90.476   69.091
LGA    T    55_A      T    55_A     0.619     0    0.062   0.098     0.968   97.619   94.558
LGA    H    56_A      H    56_A     0.374     0    0.052   0.182     1.139   97.619   92.429
LGA    V    57_A      V    57_A     0.449     0    0.174   0.159     1.182   92.976   94.626
LGA    P    58_A      P    58_A     2.206     0    0.658   0.623     4.024   59.881   61.020
LGA    H    59_A      H    59_A     1.024     0    0.099   1.119     7.403   88.214   53.667
LGA    L    60_A      L    60_A     0.860     0    0.091   0.089     1.281   88.214   87.083
LGA    K    61_A      K    61_A     0.540     0    0.007   0.892     1.679   97.619   88.730
LGA    M    62_A      M    62_A     0.668     0    0.025   0.847     3.314   90.476   85.417
LGA    K    63_A      K    63_A     0.625     0    0.040   1.090     7.320   90.476   65.661
LGA    C    64_A      C    64_A     0.913     0    0.057   0.147     1.250   85.952   85.952
LGA    N    65_A      N    65_A     1.139     0    0.085   0.270     1.858   85.952   80.476
LGA    F    66_A      F    66_A     0.878     0    0.015   0.088     1.178   90.476   87.186
LGA    C    67_A      C    67_A     0.916     0    0.056   0.100     1.194   90.476   88.968
LGA    D    68_A      D    68_A     0.959     0    0.029   0.302     2.226   90.476   83.869
LGA    Y    69_A      Y    69_A     0.705     0    0.050   0.046     0.885   90.476   96.032
LGA    M    70_A      M    70_A     0.622     0    0.087   0.218     1.152   90.476   89.345
LGA    C    71_A      C    71_A     0.589     0    0.082   0.124     0.895   90.476   93.651
LGA    K    72_A      K    72_A     0.444     0    0.042   0.700     2.002  100.000   92.011
LGA    G    73_A      G    73_A     0.478     0    0.055   0.055     0.482  100.000  100.000
LGA    I    74_A      I    74_A     0.173     0    0.016   0.079     0.375  100.000  100.000
LGA    R    75_A      R    75_A     0.300     0    0.013   0.517     1.703  100.000   92.381
LGA    N    76_A      N    76_A     0.190     0    0.031   0.092     0.403  100.000  100.000
LGA    I    77_A      I    77_A     0.148     0    0.040   0.070     0.313  100.000  100.000
LGA    R    78_A      R    78_A     0.349     0    0.014   0.265     0.997  100.000   95.671
LGA    L    79_A      L    79_A     0.240     0    0.036   1.391     3.291  100.000   83.095
LGA    H    80_A      H    80_A     0.216     0    0.057   0.157     0.900  100.000   97.143
LGA    H    81_A      H    81_A     0.198     0    0.024   1.191     5.190  100.000   73.667
LGA    K    82_A      K    82_A     0.425     0    0.076   0.530     1.544   97.619   92.751
LGA    K    83_A      K    83_A     0.309     0    0.039   0.416     2.348  100.000   92.963
LGA    S    84_A      S    84_A     0.691     0    0.016   0.190     1.110   90.476   88.968
LGA    H    85_A      H    85_A     0.928     0    0.046   0.143     1.150   85.952   88.667
LGA    P    86_A      P    86_A     1.167     0    0.097   0.099     1.976   77.143   78.980
LGA    D    87_A      D    87_A     2.032     0    0.026   1.157     5.746   70.833   54.762
LGA    E    88_A      E    88_A     0.970     0    0.238   0.297     1.957   85.952   84.497
LGA    Q    89_A      Q    89_A     2.930     0    0.603   0.904     5.839   54.048   39.947
LGA    L    90_A      L    90_A     4.118     0    0.195   1.421    11.163   41.905   23.631
LGA    T    91_A      T    91_A     3.570     0    0.016   0.819     6.599   51.905   37.755
LGA    G    92_A      G    92_A     4.407     0    0.668   0.668     4.963   38.929   38.929
LGA    F    93_A      F    93_A     2.227     0    0.537   1.279     5.059   75.238   52.381
LGA    G    94_A      G    94_A     1.544     0    0.032   0.032     1.820   77.143   77.143
LGA    I    95_A      I    95_A     1.306     0    0.104   1.077     3.509   81.429   78.929
LGA    K    96_A      K    96_A     1.316     0    0.220   0.717     3.951   75.119   70.635
LGA    S    97_A      S    97_A     1.630     0    0.238   0.241     1.813   77.143   75.714
LGA    V    98_A      V    98_A     1.735     0    0.043   0.042     2.135   72.857   71.701
LGA    V    99_A      V    99_A     1.780     0    0.062   0.063     2.442   72.857   69.388
LGA    R   100_A      R   100_A     1.592     0    0.104   0.611     3.455   72.857   68.745
LGA    T   101_A      T   101_A     1.328     0    0.035   1.095     3.864   83.810   77.415
LGA    S   102_A      S   102_A     1.734     0    0.055   0.155     3.323   79.286   70.714
LGA    K   103_A      K   103_A     2.216     0    0.089   0.759     9.581   66.905   40.741
LGA    K   104_A      K   104_A     2.260     4    0.335   0.347     2.783   68.929   36.984
LGA    G   105_A      G   105_A     2.552     0    0.013   0.013     2.570   60.952   60.952
LGA    K   106_A      K   106_A     2.100     0    0.017   1.024     2.923   68.810   70.317
LGA    D   107_A      D   107_A     1.372     0    0.061   0.073     2.130   81.548   76.190
LGA    L   108_A      L   108_A     1.282     0    0.031   1.417     4.784   85.952   67.679
LGA    A   109_A      A   109_A     0.846     0    0.081   0.091     1.206   88.214   86.857
LGA    K   110_A      K   110_A     0.456     0    0.062   0.738     2.591   95.238   81.481
LGA    V   111_A      V   111_A     0.247     0    0.028   0.855     2.321  100.000   91.088
LGA    W   112_A      W   112_A     0.300     0    0.009   0.066     1.012   95.238   91.871
LGA    D   113_A      D   113_A     0.707     0    0.045   0.198     0.932   90.476   90.476
LGA    E   114_A      E   114_A     0.747     0    0.069   0.572     2.096   88.214   85.608
LGA    C   115_A      C   115_A     0.587     0    0.027   0.038     0.752   92.857   92.063
LGA    F   116_A      F   116_A     0.787     0    0.057   0.111     1.000   90.476   89.654
LGA    K   117_A      K   117_A     0.797     0    0.021   0.649     2.625   90.476   83.915
LGA    K   118_A      K   118_A     0.567     0    0.039   0.110     0.725   90.476   92.593
LGA    N   119_A      N   119_A     0.618     0    0.065   0.088     0.651   90.476   90.476
LGA    R   120_A      R   120_A     0.795     6    0.027   0.026     0.851   90.476   41.126
LGA    V   121_A      V   121_A     0.758     0    0.073   1.199     3.214   90.476   79.932
LGA    L   122_A      L   122_A     0.716     0    0.059   0.098     0.987   90.476   90.476
LGA    Q   123_A      Q   123_A     0.975     0    0.570   0.872     3.237   78.095   73.598
LGA    H   124_A      H   124_A     1.948     0    0.569   1.174     9.915   67.143   34.238
LGA    G   125_A      G   125_A     5.044     0    0.149   0.149     8.739   24.881   24.881
LGA    S   126_A      S   126_A     9.279     0    0.259   0.744    10.276    3.810    2.778

# 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):     1.656          1.663                  2.248           84.861   78.195

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.32    89.524    94.578     7.261

LGA_LOCAL      RMSD:   1.319  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.664  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.656  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.535775 * X  +   0.506144 * Y  +   0.675843 * Z  +   6.952731
  Y_new =   0.794256 * X  +   0.573730 * Y  +   0.199977 * Z  + -23.808292
  Z_new =  -0.286534 * X  +   0.643935 * Y  +  -0.709398 * Z  +  14.974391 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.164245  0.290608  2.404529   [DEG:  124.0021   16.6506  137.7694 ]
ZXZ:  1.858481  2.359441 -0.418667   [DEG:  106.4831  135.1860  -23.9878 ]
 
# END of job
