
#######################################################
#                                                     #
#                        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  125 ( 1028),  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       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.89     2.13
  LONGEST_CONTINUOUS_SEGMENT:    68      23_A - 90_A        0.93     2.08
  LONGEST_CONTINUOUS_SEGMENT:    68      24_A - 91_A        1.00     2.05
  LCS_AVERAGE:     48.24

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   16   32   62   86   93   98  101  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  105  105     16   52   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  105  105     18   64   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  105  105     16   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  105  105     22   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  105  105     27   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  105  105     24   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  105  105      7   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  105  105     25   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  105  105     15   64   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  105  105     10   63   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  105  105      9   64   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  105  105      5   60   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  105  105     28   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  105  105     30   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  105  105     29   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  105  105     24   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  105  105     19   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  105  105      5    8   48   85   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  105  105     15   64   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  105  105     11   64   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  105  105     19   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  105  105     18   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  105  105     24   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  105  105     22   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  105  105      5   41   78   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  105  105      3   26   79   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     68  105  105      3    3    5    5   75   94   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     68  105  105      3   29   66   85   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    4   50   64   77   93   98  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   33   79   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105      5   48   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105      6   43   79   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105      5    8   37   71   92   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105      5    9   35   61   89   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  105  105      4   21   48   87   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  105  105      5   28   63   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  105  105      4    8   33   60   89   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  105  105      4    8   15   38   66   92   99  101  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      7  105  105      4   18   36   71   91   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     21  105  105     15   46   79   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     21  105  105      4    5    6   63   77   93   98  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     21  105  105     10   59   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     21  105  105     20   63   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     21  105  105     20   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     21  105  105     16   63   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     21  105  105     20   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     21  105  105     20   63   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     21  105  105     20   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     21  105  105     25   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     21  105  105     27   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     21  105  105     20   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     21  105  105     25   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     21  105  105     20   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     21  105  105     10   46   79   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     21  105  105     20   59   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     21  105  105     24   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     21  105  105     13   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     21  105  105     32   65   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     21  105  105     18   61   80   88   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     21  105  105      4   14   60   86   93   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     20  105  105      3    4   20   59   70   87   97  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3  105  105      3    3   32   61   89   98   99  102  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3  105  105      3    3    3   16   26   45   48   82   92  101  103  104  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  82.75  (  48.24  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     32     65     80     88     93     98     99    102    104    104    104    104    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  30.48  61.90  76.19  83.81  88.57  93.33  94.29  97.14  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.62   0.80   0.96   1.11   1.38   1.42   1.56   1.67   1.67   1.67   1.67   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87
GDT RMS_ALL_AT   2.12   2.04   2.00   1.95   1.92   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  E    88_A      E    88_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     4.211     0    0.299   0.890     6.046   45.357   37.321
LGA    K    23_A      K    23_A     1.849     0    0.169   0.746     3.222   68.929   66.772
LGA    V    24_A      V    24_A     1.059     0    0.030   0.054     1.357   83.690   85.306
LGA    H    25_A      H    25_A     0.867     0    0.079   0.131     1.500   90.476   85.048
LGA    I    26_A      I    26_A     0.659     0    0.011   1.470     3.754   92.857   76.548
LGA    I    27_A      I    27_A     0.180     0    0.016   0.622     1.984  100.000   95.417
LGA    K    28_A      K    28_A     0.388     0    0.034   0.097     0.839   97.619   95.767
LGA    C    29_A      C    29_A     0.532     0    0.078   0.194     1.108   90.595   90.556
LGA    H    30_A      H    30_A     0.563     0    0.029   1.134     2.679   90.476   82.714
LGA    F    31_A      F    31_A     0.770     0    0.012   0.118     1.105   92.857   88.052
LGA    D    32_A      D    32_A     0.469     0    0.034   0.440     1.396   92.857   90.595
LGA    K    33_A      K    33_A     0.950     0    0.055   1.014     4.174   90.476   76.085
LGA    C    34_A      C    34_A     0.827     0    0.178   0.192     1.382   88.214   88.968
LGA    N    35_A      N    35_A     0.946     0    0.013   0.134     1.727   90.476   84.881
LGA    K    36_A      K    36_A     0.351     0    0.089   0.880     3.719   97.619   77.566
LGA    S    37_A      S    37_A     0.396     0    0.038   0.082     0.489  100.000  100.000
LGA    Y    38_A      Y    38_A     0.491     0    0.079   0.120     1.411   97.619   89.841
LGA    N    39_A      N    39_A     0.562     0    0.095   0.379     1.862   92.857   90.655
LGA    W    40_A      W    40_A     0.761     0    0.039   0.066     1.071   90.476   89.184
LGA    R    41_A      R    41_A     1.415     0    0.058   1.096     5.938   77.143   62.944
LGA    K    42_A      K    42_A     1.574     0    0.034   0.846     5.300   72.857   63.386
LGA    K    43_A      K    43_A     1.803     0    0.039   0.625     6.149   72.857   59.101
LGA    Y    44_A      Y    44_A     1.626     0    0.173   0.375     4.008   77.143   59.841
LGA    G    45_A      G    45_A     0.901     0    0.072   0.072     1.245   88.214   88.214
LGA    K    46_A      K    46_A     0.727     0    0.026   0.598     1.725   90.476   85.503
LGA    L    47_A      L    47_A     0.597     0    0.034   0.160     1.414   90.476   87.083
LGA    R    48_A      R    48_A     0.552     0    0.021   1.007     4.833   95.238   74.113
LGA    L    49_A      L    49_A     0.347     0    0.015   0.066     0.636  100.000   97.619
LGA    V    50_A      V    50_A     0.584     0    0.020   0.061     1.040   92.857   91.905
LGA    D    51_A      D    51_A     0.729     0    0.036   0.243     2.109   90.476   83.929
LGA    H    52_A      H    52_A     0.551     0    0.021   0.064     1.456   92.857   87.810
LGA    A    53_A      A    53_A     0.939     0    0.026   0.029     1.067   90.476   88.667
LGA    F    54_A      F    54_A     0.698     0    0.022   0.556     2.773   92.857   81.905
LGA    T    55_A      T    55_A     0.240     0    0.087   0.102     0.538  100.000   98.639
LGA    H    56_A      H    56_A     0.535     0    0.037   0.245     1.309   92.857   88.714
LGA    V    57_A      V    57_A     0.898     0    0.189   0.190     1.857   83.810   86.667
LGA    P    58_A      P    58_A     2.251     0    0.671   0.627     3.577   63.452   64.082
LGA    H    59_A      H    59_A     2.025     0    0.115   1.056     8.646   70.833   39.905
LGA    L    60_A      L    60_A     1.826     0    0.271   0.280     2.954   68.929   65.893
LGA    K    61_A      K    61_A     0.785     0    0.019   0.896     2.279   90.476   83.704
LGA    M    62_A      M    62_A     0.946     0    0.020   0.963     4.619   90.476   76.548
LGA    K    63_A      K    63_A     0.839     0    0.034   1.062     8.088   90.476   62.063
LGA    C    64_A      C    64_A     1.063     0    0.065   0.181     1.488   83.690   82.937
LGA    N    65_A      N    65_A     1.241     0    0.126   0.225     2.251   85.952   78.393
LGA    F    66_A      F    66_A     1.010     0    0.033   0.047     1.452   85.952   83.896
LGA    C    67_A      C    67_A     0.893     0    0.060   0.096     1.252   88.214   87.460
LGA    D    68_A      D    68_A     1.132     0    0.027   0.167     2.427   88.214   80.595
LGA    Y    69_A      Y    69_A     0.705     0    0.047   0.077     0.870   90.476   96.032
LGA    M    70_A      M    70_A     0.790     0    0.087   0.285     1.797   90.476   88.274
LGA    C    71_A      C    71_A     0.809     0    0.043   0.101     0.861   90.476   90.476
LGA    K    72_A      K    72_A     0.573     0    0.013   0.674     2.040   90.476   87.778
LGA    G    73_A      G    73_A     0.597     0    0.049   0.049     0.597   95.238   95.238
LGA    I    74_A      I    74_A     0.570     0    0.041   0.117     1.006   90.476   89.345
LGA    R    75_A      R    75_A     0.553     0    0.011   1.437     5.520   92.857   75.498
LGA    N    76_A      N    76_A     0.320     0    0.014   0.165     0.552  100.000   97.619
LGA    I    77_A      I    77_A     0.802     0    0.062   1.495     4.140   88.214   75.179
LGA    R    78_A      R    78_A     1.169     0    0.029   0.392     2.038   83.690   79.177
LGA    L    79_A      L    79_A     0.965     0    0.029   0.051     1.207   88.214   88.214
LGA    H    80_A      H    80_A     0.811     0    0.019   0.265     0.949   90.476   91.429
LGA    H    81_A      H    81_A     1.032     0    0.033   1.163     5.978   83.690   63.143
LGA    K    82_A      K    82_A     1.244     0    0.084   0.580     2.751   79.286   77.778
LGA    K    83_A      K    83_A     0.987     0    0.028   0.369     3.188   88.214   77.302
LGA    S    84_A      S    84_A     0.520     0    0.029   0.052     0.637   95.238   96.825
LGA    H    85_A      H    85_A     0.657     0    0.036   0.156     1.009   90.476   89.571
LGA    P    86_A      P    86_A     1.193     0    0.072   0.072     1.848   79.405   82.857
LGA    D    87_A      D    87_A     2.134     0    0.020   1.175     5.999   68.810   53.750
LGA    E    88_A      E    88_A     1.392     0    0.265   0.981     2.342   81.548   74.974
LGA    Q    89_A      Q    89_A     1.733     0    0.639   0.937     5.242   67.262   53.968
LGA    L    90_A      L    90_A     3.921     0    0.292   1.464    11.018   52.024   28.869
LGA    T    91_A      T    91_A     2.567     0    0.044   0.814     6.010   69.048   49.456
LGA    G    92_A      G    92_A     3.960     0    0.653   0.653     3.960   48.690   48.690
LGA    F    93_A      F    93_A     1.808     0    0.386   1.210     5.877   77.262   48.485
LGA    G    94_A      G    94_A     1.484     0    0.078   0.078     1.839   77.143   77.143
LGA    I    95_A      I    95_A     1.549     0    0.051   1.102     3.753   70.952   70.357
LGA    K    96_A      K    96_A     3.157     0    0.228   0.684     6.779   50.476   38.730
LGA    S    97_A      S    97_A     3.459     0    0.184   0.628     5.250   50.000   44.921
LGA    V    98_A      V    98_A     2.641     0    0.060   0.219     2.995   59.048   59.320
LGA    V    99_A      V    99_A     2.006     0    0.018   0.057     2.320   64.762   64.762
LGA    R   100_A      R   100_A     3.860     0    0.060   0.874     6.665   39.167   30.736
LGA    T   101_A      T   101_A     4.989     0    0.100   1.040     8.653   34.286   28.367
LGA    S   102_A      S   102_A     3.326     0    0.098   0.121     3.653   57.738   54.048
LGA    K   103_A      K   103_A     1.562     0    0.127   0.184     3.883   68.929   60.159
LGA    K   104_A      K   104_A     3.652     4    0.182   0.176     5.383   44.167   22.540
LGA    G   105_A      G   105_A     1.199     0    0.034   0.034     1.543   86.190   86.190
LGA    K   106_A      K   106_A     1.047     0    0.048   0.947     5.318   85.952   69.577
LGA    D   107_A      D   107_A     0.698     0    0.058   0.286     1.427   90.476   89.345
LGA    L   108_A      L   108_A     0.966     0    0.025   1.419     4.535   90.476   71.012
LGA    A   109_A      A   109_A     0.817     0    0.092   0.100     0.882   90.476   90.476
LGA    K   110_A      K   110_A     1.083     0    0.043   1.235     4.195   81.429   68.783
LGA    V   111_A      V   111_A     0.888     0    0.068   0.858     2.326   88.214   82.993
LGA    W   112_A      W   112_A     0.667     0    0.028   0.121     0.755   90.476   93.197
LGA    D   113_A      D   113_A     0.787     0    0.033   0.164     1.463   90.476   88.214
LGA    E   114_A      E   114_A     1.031     0    0.053   0.234     1.556   85.952   82.487
LGA    C   115_A      C   115_A     0.708     0    0.045   0.090     0.874   90.476   90.476
LGA    F   116_A      F   116_A     0.996     0    0.040   0.102     1.509   85.952   83.117
LGA    K   117_A      K   117_A     1.574     0    0.022   0.611     2.684   75.000   67.672
LGA    K   118_A      K   118_A     1.277     0    0.034   0.153     1.399   81.429   81.429
LGA    N   119_A      N   119_A     0.741     0    0.028   0.047     0.913   90.476   91.667
LGA    R   120_A      R   120_A     1.168     6    0.025   0.033     1.461   85.952   38.658
LGA    V   121_A      V   121_A     0.484     0    0.105   1.181     3.210   95.238   84.898
LGA    L   122_A      L   122_A     1.041     0    0.013   0.126     1.873   79.405   85.000
LGA    Q   123_A      Q   123_A     2.381     0    0.654   0.968     5.993   56.190   46.455
LGA    H   124_A      H   124_A     4.061     0    0.404   1.216    11.645   60.357   26.429
LGA    G   125_A      G   125_A     4.200     0    0.556   0.556     7.111   29.643   29.643
LGA    S   126_A      S   126_A     9.054     0    0.095   0.260    11.827    3.690    2.698

# 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):     1.873          1.900                  2.531           80.984   74.135

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  105    4.0    102    1.56    85.714    92.285     6.154

LGA_LOCAL      RMSD:   1.558  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.882  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.873  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.255890 * X  +  -0.599918 * Y  +   0.758036 * Z  +   5.352009
  Y_new =  -0.760048 * X  +   0.609407 * Y  +   0.225722 * Z  + -22.484898
  Z_new =  -0.597367 * X  +  -0.518384 * Y  +  -0.611907 * Z  +  13.888404 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.895553  0.640214 -2.438749   [DEG: -108.6072   36.6816 -139.7300 ]
ZXZ:  1.860208  2.229266 -2.285523   [DEG:  106.5820  127.7276 -130.9508 ]
 
# END of job
