
#######################################################
#                                                     #
#                        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:     48.73

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     64  105  105      3   13   49   90   97  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     67  105  105     20   51   81   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     67  105  105     20   54   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     67  105  105     20   62   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     67  105  105     20   62   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     67  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     67  105  105     15   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     67  105  105     33   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     67  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     67  105  105     20   64   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     67  105  105     20   52   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     67  105  105     19   39   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     67  105  105     20   58   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     67  105  105     20   61   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     67  105  105     20   61   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     67  105  105     20   61   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     67  105  105      3    5   43   55   81  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     67  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     67  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     67  105  105     17   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     67  105  105     12   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     67  105  105     37   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     67  105  105     10   56   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     67  105  105     20   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     67  105  105     22   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     67  105  105     33   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     67  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     67  105  105     30   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     67  105  105     12   63   83   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     67  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     67  105  105      4    5   75   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     46  105  105      3    3    4    4    7   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     46  105  105     14   46   71   89   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3   31   48   70   90  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   35   71   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105     15   56   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105     16   61   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105     11   30   79   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     25  105  105     10   30   83   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     25  105  105      5    8   65   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     25  105  105      7   41   83   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     25  105  105     16   56   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     25  105  105      4   58   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     25  105  105      3    8   75   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     25  105  105      8   23   80   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     25  105  105      8   46   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     25  105  105     12   64   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     25  105  105     16   64   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     25  105  105     21   64   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     25  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     25  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     25  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     25  105  105     18   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     25  105  105     19   58   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     25  105  105     33   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     25  105  105     44   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     25  105  105     34   65   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     25  105  105     21   64   86   95   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     24  105  105      3   20   76   94   98  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     22  105  105      3   11   32   71   97  100  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4    4    4   15   25   60  100  104  104  104  104  104  105  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   43   47   54  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  82.91  (  48.73  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     44     65     86     95     98    100    101    103    104    104    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  41.90  61.90  81.90  90.48  93.33  95.24  96.19  98.10  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.55   0.85   1.01   1.07   1.17   1.22   1.33   1.40   1.40   1.40   1.40   1.40   1.68   1.68   1.68   1.68   1.68   1.68   1.68
GDT RMS_ALL_AT   1.89   1.82   1.70   1.70   1.69   1.69   1.69   1.70   1.69   1.69   1.69   1.69   1.69   1.68   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     3.373     0    0.313   1.015     5.075   53.810   47.262
LGA    K    23_A      K    23_A     1.907     0    0.148   0.759     3.408   70.833   65.873
LGA    V    24_A      V    24_A     1.601     0    0.048   0.063     1.854   77.143   76.531
LGA    H    25_A      H    25_A     1.231     0    0.053   0.106     1.430   81.429   81.429
LGA    I    26_A      I    26_A     1.190     0    0.004   1.479     3.445   85.952   71.905
LGA    I    27_A      I    27_A     0.541     0    0.033   0.083     0.853   92.857   91.667
LGA    K    28_A      K    28_A     0.128     0    0.011   0.110     0.985  100.000   96.825
LGA    C    29_A      C    29_A     0.244     0    0.049   0.098     0.682   97.619   96.825
LGA    H    30_A      H    30_A     0.381     0    0.020   1.143     2.412  100.000   86.476
LGA    F    31_A      F    31_A     0.435     0    0.037   0.068     0.665  100.000   93.939
LGA    D    32_A      D    32_A     0.188     0    0.032   0.389     1.351   97.619   95.298
LGA    K    33_A      K    33_A     0.669     0    0.033   0.902     3.410   92.857   82.328
LGA    C    34_A      C    34_A     0.605     0    0.122   0.130     0.649   90.476   90.476
LGA    N    35_A      N    35_A     0.336     0    0.023   0.155     0.891  100.000   98.810
LGA    K    36_A      K    36_A     0.222     0    0.029   0.847     3.263  100.000   81.005
LGA    S    37_A      S    37_A     0.492     0    0.029   0.053     0.863   95.238   93.651
LGA    Y    38_A      Y    38_A     1.045     0    0.042   0.109     1.298   83.690   83.690
LGA    N    39_A      N    39_A     1.613     0    0.063   0.455     2.875   75.000   70.952
LGA    W    40_A      W    40_A     1.618     0    0.010   0.087     1.739   75.000   79.660
LGA    R    41_A      R    41_A     1.481     0    0.013   0.988     4.191   79.286   67.706
LGA    K    42_A      K    42_A     1.195     0    0.008   0.798     3.971   81.429   76.296
LGA    K    43_A      K    43_A     1.279     0    0.058   0.587     2.061   81.429   79.577
LGA    Y    44_A      Y    44_A     1.261     0    0.619   1.370     3.251   73.571   59.048
LGA    G    45_A      G    45_A     3.779     0    0.625   0.625     3.779   57.500   57.500
LGA    K    46_A      K    46_A     0.290     0    0.271   0.807     4.130   95.357   76.402
LGA    L    47_A      L    47_A     0.041     0    0.054   0.123     0.623  100.000   97.619
LGA    R    48_A      R    48_A     0.274     0    0.026   1.000     3.989  100.000   85.671
LGA    L    49_A      L    49_A     0.444     0    0.006   0.053     0.692   97.619   95.238
LGA    V    50_A      V    50_A     0.494     0    0.051   0.061     0.711  100.000   95.918
LGA    D    51_A      D    51_A     0.286     0    0.037   0.160     0.709  100.000   98.810
LGA    H    52_A      H    52_A     0.406     0    0.055   0.162     1.730   95.238   86.143
LGA    A    53_A      A    53_A     0.868     0    0.019   0.035     0.951   90.476   90.476
LGA    F    54_A      F    54_A     0.757     0    0.024   0.817     3.221   95.238   73.377
LGA    T    55_A      T    55_A     0.294     0    0.051   0.086     0.519  100.000   98.639
LGA    H    56_A      H    56_A     0.519     0    0.031   0.199     1.138   92.857   89.619
LGA    V    57_A      V    57_A     0.439     0    0.098   0.096     0.998   95.238   94.558
LGA    P    58_A      P    58_A     1.381     0    0.626   0.652     3.477   75.833   75.782
LGA    H    59_A      H    59_A     1.491     0    0.073   1.119     7.672   81.429   49.286
LGA    L    60_A      L    60_A     1.146     0    0.126   0.127     1.644   79.286   79.286
LGA    K    61_A      K    61_A     0.955     0    0.021   0.885     1.802   90.476   86.614
LGA    M    62_A      M    62_A     0.946     0    0.030   0.832     3.269   88.214   84.286
LGA    K    63_A      K    63_A     0.910     0    0.035   1.094     7.078   90.476   66.984
LGA    C    64_A      C    64_A     1.020     0    0.053   0.117     1.465   83.690   84.444
LGA    N    65_A      N    65_A     1.396     0    0.070   0.186     2.044   81.429   76.131
LGA    F    66_A      F    66_A     0.960     0    0.016   0.100     1.366   88.214   85.541
LGA    C    67_A      C    67_A     0.975     0    0.053   0.090     1.135   85.952   85.952
LGA    D    68_A      D    68_A     1.222     0    0.036   0.279     2.556   81.429   76.250
LGA    Y    69_A      Y    69_A     0.785     0    0.053   0.048     0.992   90.476   96.032
LGA    M    70_A      M    70_A     0.819     0    0.083   0.217     1.412   90.476   87.083
LGA    C    71_A      C    71_A     0.731     0    0.074   0.115     1.000   90.476   90.476
LGA    K    72_A      K    72_A     0.549     0    0.045   0.699     1.628   90.476   87.513
LGA    G    73_A      G    73_A     0.701     0    0.072   0.072     0.701   95.238   95.238
LGA    I    74_A      I    74_A     0.377     0    0.038   0.087     0.927  100.000   96.429
LGA    R    75_A      R    75_A     0.436     0    0.019   1.017     2.985   97.619   81.429
LGA    N    76_A      N    76_A     0.286     0    0.041   0.096     0.592  100.000   97.619
LGA    I    77_A      I    77_A     0.223     0    0.035   0.078     0.431  100.000  100.000
LGA    R    78_A      R    78_A     0.613     0    0.021   0.261     1.501   92.857   88.095
LGA    L    79_A      L    79_A     0.649     0    0.032   1.395     3.995   90.476   76.250
LGA    H    80_A      H    80_A     0.458     0    0.080   0.188     0.764   95.238   95.238
LGA    H    81_A      H    81_A     0.514     0    0.042   1.319     5.898   92.857   66.095
LGA    K    82_A      K    82_A     0.762     0    0.084   0.554     2.575   88.214   85.767
LGA    K    83_A      K    83_A     0.685     0    0.051   0.395     2.637   90.476   82.804
LGA    S    84_A      S    84_A     0.206     0    0.007   0.050     0.272  100.000  100.000
LGA    H    85_A      H    85_A     0.415     0    0.012   0.129     0.836   95.238   98.095
LGA    P    86_A      P    86_A     1.122     0    0.097   0.101     1.721   81.548   84.082
LGA    D    87_A      D    87_A     1.717     0    0.019   1.175     5.614   77.143   57.917
LGA    E    88_A      E    88_A     0.892     0    0.209   0.303     2.438   88.214   82.646
LGA    Q    89_A      Q    89_A     1.967     0    0.619   1.029     5.162   65.595   51.587
LGA    L    90_A      L    90_A     4.092     0    0.164   1.420    11.245   46.905   26.131
LGA    T    91_A      T    91_A     2.684     0    0.014   0.839     6.037   62.857   46.735
LGA    G    92_A      G    92_A     3.761     0    0.661   0.661     4.268   45.238   45.238
LGA    F    93_A      F    93_A     2.185     0    0.526   1.286     5.094   77.619   52.597
LGA    G    94_A      G    94_A     1.292     0    0.020   0.020     1.686   79.286   79.286
LGA    I    95_A      I    95_A     0.424     0    0.082   1.073     2.616   92.857   85.238
LGA    K    96_A      K    96_A     1.147     0    0.280   0.703     4.971   79.524   68.571
LGA    S    97_A      S    97_A     1.912     0    0.218   0.290     2.383   77.143   73.016
LGA    V    98_A      V    98_A     1.774     0    0.052   0.051     2.245   72.857   69.388
LGA    V    99_A      V    99_A     2.095     0    0.047   0.053     2.830   70.833   64.966
LGA    R   100_A      R   100_A     1.680     0    0.123   0.859     3.225   72.857   70.823
LGA    T   101_A      T   101_A     1.315     0    0.144   1.102     3.812   85.952   77.347
LGA    S   102_A      S   102_A     1.431     0    0.062   0.621     2.934   83.690   76.111
LGA    K   103_A      K   103_A     2.131     0    0.077   0.179     6.023   66.905   48.624
LGA    K   104_A      K   104_A     1.809     4    0.313   0.311     2.750   77.262   40.688
LGA    G   105_A      G   105_A     1.351     0    0.013   0.013     1.601   81.548   81.548
LGA    K   106_A      K   106_A     1.052     0    0.033   1.039     2.248   85.952   81.640
LGA    D   107_A      D   107_A     0.981     0    0.073   0.076     1.688   88.214   83.750
LGA    L   108_A      L   108_A     1.011     0    0.037   1.413     4.630   85.952   68.750
LGA    A   109_A      A   109_A     0.438     0    0.089   0.098     0.684   97.619   96.190
LGA    K   110_A      K   110_A     0.388     0    0.037   1.258     5.341  100.000   75.026
LGA    V   111_A      V   111_A     0.532     0    0.036   0.857     2.411   92.857   85.646
LGA    W   112_A      W   112_A     0.297     0    0.018   0.161     1.043  100.000   95.272
LGA    D   113_A      D   113_A     0.328     0    0.042   0.129     0.603  100.000   98.810
LGA    E   114_A      E   114_A     0.552     0    0.082   0.773     3.215   92.857   77.619
LGA    C   115_A      C   115_A     0.459     0    0.031   0.042     0.745   95.238   93.651
LGA    F   116_A      F   116_A     0.873     0    0.053   0.152     1.438   85.952   84.719
LGA    K   117_A      K   117_A     1.482     0    0.020   0.617     4.735   79.286   59.894
LGA    K   118_A      K   118_A     1.068     0    0.017   0.075     1.386   85.952   83.439
LGA    N   119_A      N   119_A     0.393     0    0.056   0.097     0.629   95.238   97.619
LGA    R   120_A      R   120_A     0.682     6    0.025   0.023     0.874   90.476   41.126
LGA    V   121_A      V   121_A     0.224     0    0.074   1.178     3.112   95.238   83.742
LGA    L   122_A      L   122_A     1.047     0    0.063   0.108     1.683   81.548   86.071
LGA    Q   123_A      Q   123_A     2.337     0    0.635   0.902     4.977   57.976   51.111
LGA    H   124_A      H   124_A     3.204     0    0.564   1.074    11.317   69.762   32.286
LGA    G   125_A      G   125_A     4.942     0    0.122   0.122     8.633   24.405   24.405
LGA    S   126_A      S   126_A     9.834     0    0.440   0.806    11.727    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):     1.683          1.693                  2.259           84.993   77.781

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.33    87.619    93.739     7.225

LGA_LOCAL      RMSD:   1.326  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.696  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.683  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.095195 * X  +  -0.314654 * Y  +   0.944421 * Z  +   5.920365
  Y_new =   0.728206 * X  +  -0.668866 * Y  +  -0.149446 * Z  + -23.715015
  Z_new =   0.678715 * X  +   0.673507 * Y  +   0.292806 * Z  +  14.827759 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.700785 -0.746011  1.160698   [DEG:   97.4478  -42.7433   66.5031 ]
ZXZ:  1.413857  1.273636  0.789250   [DEG:   81.0080   72.9740   45.2207 ]
 
# END of job
