
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , 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:   103      13_A - 115_A       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      25_A - 103_A       0.99     1.52
  LCS_AVERAGE:     67.33

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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     G    13_A     G    13_A      7  103  103     18   70   80   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     18   70   80   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     18   70   80   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     40   70   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     40   70   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      3   22   68   87   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    4   11   17   23   29   66   86   93  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      3    4   21   26   34   84  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     15  103  103      3    5    7   22   36   91   95  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     16  103  103     10   65   80   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     16  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     16  103  103     39   70   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     79  103  103     46   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     79  103  103     39   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     79  103  103     39   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     79  103  103     50   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     79  103  103     46   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     79  103  103     39   70   80   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     79  103  103     14   70   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     79  103  103      3   28   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     79  103  103     13   35   69   95   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     79  103  103      3   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     79  103  103      3   51   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     79  103  103     13   51   82   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     79  103  103     13   60   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     79  103  103     21   63   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     79  103  103     42   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     79  103  103     50   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     79  103  103     37   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     79  103  103      3    5   18   81   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     79  103  103     37   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     79  103  103     29   69   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     79  103  103      9   68   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     79  103  103      9   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     79  103  103     12   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     79  103  103     15   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     79  103  103     11   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     79  103  103     12   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     79  103  103     13   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     79  103  103     15   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     79  103  103     13   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     79  103  103     11   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     79  103  103     13   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     79  103  103      6   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     79  103  103      8   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     79  103  103     30   68   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     79  103  103     44   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     79  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     79  103  103     50   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     77  103  103      3   63   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     71  103  103      3    4    9   60   73   93  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     71  103  103      3   59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     71  103  103      3   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     71  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     71  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     69  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     57  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     57  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     57  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     57  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     57  103  103     52   70   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  89.11  (  67.33  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     52     70     85     96     99     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  50.49  67.96  82.52  93.20  96.12  96.12  97.09  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.51   0.91   1.07   1.15   1.15   1.22   1.28   1.34   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.71   1.79   1.50   1.45   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.935     0    0.047   0.047     1.935   75.000   75.000
LGA    W    14_A      W    14_A     1.614     0    0.021   0.102     2.117   70.833   77.245
LGA    Q    15_A      Q    15_A     1.794     0    0.052   0.801     5.265   75.000   56.138
LGA    K    16_A      K    16_A     1.480     0    0.029   0.381     2.428   75.000   75.767
LGA    K    17_A      K    17_A     1.462     0    0.070   0.638     1.639   79.286   79.524
LGA    T    18_A      T    18_A     2.665     0    0.228   1.092     5.113   46.310   45.238
LGA    P    19_A      P    19_A     5.430     0    0.635   0.612     7.325   30.238   22.517
LGA    V    20_A      V    20_A     4.016     0    0.154   1.188     7.853   39.167   33.333
LGA    D    21_A      D    21_A     4.271     0    0.035   0.946     5.537   40.476   38.393
LGA    N    22_A      N    22_A     1.949     0    0.155   0.236     2.721   75.119   70.000
LGA    E    23_A      E    23_A     1.224     0    0.009   0.797     5.112   81.429   62.963
LGA    Q    24_A      Q    24_A     1.659     0    0.032   0.127     2.351   77.143   71.164
LGA    Y    25_A      Y    25_A     0.914     0    0.024   0.131     2.246   88.214   80.913
LGA    K    26_A      K    26_A     0.968     0    0.050   0.896     3.240   83.690   73.439
LGA    E    27_A      E    27_A     1.310     0    0.012   1.289     4.337   81.429   71.111
LGA    L    28_A      L    28_A     1.037     0    0.041   0.143     1.252   81.429   83.690
LGA    A    29_A      A    29_A     0.970     0    0.029   0.040     1.193   85.952   86.857
LGA    H    30_A      H    30_A     1.384     0    0.016   0.169     1.617   79.286   82.381
LGA    F    31_A      F    31_A     1.551     0    0.020   0.150     1.654   72.857   76.753
LGA    A    32_A      A    32_A     1.372     0    0.020   0.022     1.689   77.143   78.000
LGA    V    33_A      V    33_A     1.474     0    0.120   0.769     3.165   75.119   72.109
LGA    S    34_A      S    34_A     1.887     0    0.144   0.709     3.227   68.929   66.429
LGA    K    35_A      K    35_A     1.017     0    0.083   0.393     2.403   83.690   80.635
LGA    Q    36_A      Q    36_A     1.513     0    0.491   0.591     3.136   71.429   67.778
LGA    V    37_A      V    37_A     1.145     0    0.505   0.975     5.713   77.619   60.748
LGA    E    38_A      E    38_A     2.432     0    0.639   1.524     6.969   58.690   44.286
LGA    G    39_A      G    39_A     1.410     0    0.025   0.025     1.540   79.286   79.286
LGA    R    40_A      R    40_A     1.784     0    0.052   0.777     8.421   72.857   43.766
LGA    E    41_A      E    41_A     1.990     0    0.074   0.834     4.720   72.857   61.323
LGA    F    42_A      F    42_A     1.048     0    0.028   0.080     1.663   83.690   82.338
LGA    F    43_A      F    43_A     0.647     0    0.036   0.213     0.882   95.238   95.671
LGA    D    44_A      D    44_A     0.567     0    0.065   0.236     1.069   95.238   91.726
LGA    T    45_A      T    45_A     0.544     0    0.074   1.103     3.466   90.476   82.177
LGA    V    46_A      V    46_A     0.848     0    0.033   0.074     1.556   90.476   85.374
LGA    L    47_A      L    47_A     0.563     0    0.040   1.110     3.108   92.857   84.405
LGA    E    48_A      E    48_A     0.558     0    0.070   0.097     0.558   95.238   96.825
LGA    V    49_A      V    49_A     0.455     0    0.018   0.085     0.882   97.619   94.558
LGA    T    50_A      T    50_A     0.404     0    0.025   0.061     0.606   97.619   98.639
LGA    D    51_A      D    51_A     0.645     0    0.047   0.915     4.326   97.619   79.048
LGA    V    52_A      V    52_A     0.509     0    0.045   0.051     0.891   90.476   90.476
LGA    E    53_A      E    53_A     0.447     0    0.045   0.929     3.842  100.000   85.714
LGA    T    54_A      T    54_A     0.513     0    0.101   1.078     2.432   88.214   81.837
LGA    Q    55_A      Q    55_A     0.281     0    0.073   0.702     2.156   97.619   86.825
LGA    V    56_A      V    56_A     0.441     0    0.043   0.085     0.613  100.000   97.279
LGA    V    57_A      V    57_A     0.759     0    0.324   1.058     4.191   70.714   68.639
LGA    A    58_A      A    58_A     2.573     0    0.430   0.410     4.814   56.786   54.095
LGA    G    59_A      G    59_A     0.607     0    0.056   0.056     0.715   90.476   90.476
LGA    T    60_A      T    60_A     0.746     0    0.056   0.101     0.833   90.476   90.476
LGA    N    61_A      N    61_A     0.711     0    0.070   0.373     1.985   92.857   90.655
LGA    Y    62_A      Y    62_A     0.666     0    0.032   0.088     0.929   90.476   90.476
LGA    R    63_A      R    63_A     0.423     0    0.027   0.737     1.883  100.000   88.355
LGA    I    64_A      I    64_A     0.464     0    0.042   0.050     0.620   97.619   96.429
LGA    T    65_A      T    65_A     0.391     0    0.039   0.071     0.522  100.000   98.639
LGA    F    66_A      F    66_A     0.352     0    0.060   0.126     1.363   97.619   90.649
LGA    K    67_A      K    67_A     0.324     0    0.026   0.188     0.520  100.000   98.942
LGA    I    68_A      I    68_A     0.527     0    0.051   0.088     0.837   90.476   92.857
LGA    A    69_A      A    69_A     0.978     0    0.039   0.043     1.287   92.857   90.571
LGA    E    70_A      E    70_A     0.456     0    0.031   0.662     2.123   97.619   84.921
LGA    S    71_A      S    71_A     0.578     0    0.070   0.526     2.034   90.595   86.270
LGA    T    72_A      T    72_A     0.650     0    0.021   0.103     1.070   90.476   87.891
LGA    C    73_A      C    73_A     1.174     0    0.101   0.797     1.623   83.690   81.508
LGA    R    74_A      R    74_A     1.506     0    0.046   0.184     1.518   79.286   80.693
LGA    V    75_A      V    75_A     1.311     0    0.026   0.053     1.690   81.429   80.204
LGA    T    76_A      T    76_A     1.784     0    0.029   0.236     2.526   70.833   69.456
LGA    E    77_A      E    77_A     1.675     0    0.017   0.209     1.889   72.857   76.667
LGA    T    78_A      T    78_A     1.806     0    0.008   0.048     2.318   75.000   71.769
LGA    Y    79_A      Y    79_A     1.227     0    0.016   0.068     1.472   81.429   87.460
LGA    S    80_A      S    80_A     1.428     0    0.053   0.080     1.810   81.429   78.571
LGA    K    81_A      K    81_A     1.406     0    0.077   0.632     2.336   79.286   76.720
LGA    E    82_A      E    82_A     1.781     0    0.056   0.767     3.250   72.857   66.720
LGA    T    83_A      T    83_A     1.749     0    0.078   1.059     3.870   72.857   68.639
LGA    C    84_A      C    84_A     0.891     0    0.030   0.825     2.018   92.976   87.857
LGA    L    85_A      L    85_A     0.245     0    0.022   0.087     1.340   97.619   90.655
LGA    P    86_A      P    86_A     0.511     0    0.024   0.116     0.956   97.619   94.558
LGA    K    87_A      K    87_A     0.395     0    0.090   0.796     3.379   97.619   79.153
LGA    T    88_A      T    88_A     0.527     0    0.076   0.980     2.807   95.238   87.143
LGA    R    89_A      R    89_A     0.316     6    0.104   0.108     0.764   97.619   44.589
LGA    D    90_A      D    90_A     0.273     0    0.027   0.113     1.549  100.000   90.774
LGA    V    91_A      V    91_A     0.451     0    0.066   0.090     1.044  100.000   94.626
LGA    K    92_A      K    92_A     0.521     0    0.030   0.493     1.185   97.619   91.640
LGA    S    93_A      S    93_A     0.412     0    0.077   0.138     0.489  100.000  100.000
LGA    T    94_A      T    94_A     0.397     0    0.021   0.061     0.494  100.000  100.000
LGA    C    95_A      C    95_A     0.499     0    0.030   0.045     0.759  100.000   96.825
LGA    T    96_A      T    96_A     0.647     0    0.032   0.069     0.677   90.476   90.476
LGA    A    97_A      A    97_A     0.841     0    0.019   0.032     0.861   90.476   90.476
LGA    V    98_A      V    98_A     0.983     0    0.019   0.024     1.182   85.952   85.306
LGA    I    99_A      I    99_A     1.094     0    0.041   0.471     1.515   85.952   83.750
LGA    T   100_A      T   100_A     0.586     0    0.034   0.055     0.723   90.476   91.837
LGA    E   101_A      E   101_A     0.652     0    0.058   0.188     1.039   92.857   90.529
LGA    P   102_A      P   102_A     0.710     0    0.026   0.039     0.929   90.476   90.476
LGA    L   103_A      L   103_A     1.146     0    0.143   1.373     4.241   83.690   72.857
LGA    N   104_A      N   104_A     1.588     0    0.202   1.276     6.638   67.262   45.536
LGA    N   105_A      N   105_A     4.174     0    0.668   0.554     9.395   52.262   28.750
LGA    E   106_A      E   106_A     1.038     0    0.148   0.576     5.935   71.190   54.339
LGA    R   107_A      R   107_A     1.161     0    0.107   1.431     3.530   81.429   71.861
LGA    F   108_A      F   108_A     1.143     0    0.063   1.274     5.111   85.952   69.264
LGA    V   109_A      V   109_A     1.154     0    0.027   0.041     1.202   81.429   81.429
LGA    H   110_A      H   110_A     1.182     0    0.024   0.089     1.375   81.429   81.429
LGA    S   111_A      S   111_A     1.234     0    0.042   0.561     2.510   81.429   77.381
LGA    F   112_A      F   112_A     1.116     0    0.048   0.165     1.260   81.429   81.429
LGA    T   113_A      T   113_A     1.240     0    0.111   0.964     2.395   81.429   76.667
LGA    C   114_A      C   114_A     0.759     0    0.047   0.077     0.910   90.476   90.476
LGA    G   115_A      G   115_A     0.646     0    0.635   0.635     3.386   73.929   73.929

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     1.439          1.493                  2.028           83.536   78.393

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    1.28    89.806    94.882     7.301

LGA_LOCAL      RMSD:   1.283  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.442  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.439  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.247385 * X  +  -0.001666 * Y  +  -0.968916 * Z  + -38.030739
  Y_new =   0.885416 * X  +  -0.406508 * Y  +  -0.225366 * Z  +  24.125904
  Z_new =  -0.393497 * X  +  -0.913646 * Y  +   0.102039 * Z  +  27.103058 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.843248  0.404432 -1.459574   [DEG:  105.6103   23.1722  -83.6274 ]
ZXZ: -1.342263  1.468579 -2.734914   [DEG:  -76.9060   84.1434 -156.6990 ]
 
# END of job
