
#######################################################
#                                                     #
#                        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       1.09     1.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.09     1.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96      20_A - 115_A       1.00     1.09
  LCS_AVERAGE:     92.94

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     92  103  103     13   40   92   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     24   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     56   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     55   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     18   73   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      3    3    3   23   34   47   80  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     96  103  103      3    5    5   37  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     96  103  103      3    5    7   24   35   99  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     96  103  103     10   79   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     96  103  103     47   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     96  103  103     48   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     96  103  103     25   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     96  103  103      6   45   90   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     96  103  103     20   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     96  103  103     54   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     96  103  103     55   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     96  103  103     55   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     96  103  103     15   83   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     96  103  103     18   69   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     96  103  103     10   22   55   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     96  103  103     47   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     96  103  103     56   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     96  103  103     57   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     96  103  103     56   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     96  103  103     18   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     96  103  103     15   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     96  103  103     44   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     96  103  103     55   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     96  103  103     55   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     96  103  103     54   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     96  103  103      3   22   94   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     96  103  103      3    3    4    5   10   21   89  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     96  103  103      3   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     96  103  103      3   79   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     96  103  103     28   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     96  103  103     50   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     96  103  103     52   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     96  103  103     60   84   95   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.65  (  92.94  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     60     84     95     99    100    100    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  58.25  81.55  92.23  96.12  97.09  97.09  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.51   0.64   0.75   0.82   0.82   0.89   0.98   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09
GDT RMS_ALL_AT   1.21   1.12   1.10   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09   1.09

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.934     0    0.150   0.150     1.934   77.143   77.143
LGA    W    14_A      W    14_A     0.966     0    0.009   0.090     1.483   85.952   86.599
LGA    Q    15_A      Q    15_A     0.631     0    0.036   1.217     5.046   95.238   78.042
LGA    K    16_A      K    16_A     0.102     0    0.016   0.225     1.970  100.000   89.894
LGA    K    17_A      K    17_A     0.333     0    0.064   0.693     2.021   97.619   90.952
LGA    T    18_A      T    18_A     1.278     0    0.130   0.160     4.014   64.762   63.810
LGA    P    19_A      P    19_A     4.309     0    0.666   0.596     7.149   43.690   31.293
LGA    V    20_A      V    20_A     3.230     0    0.623   0.834     7.251   53.214   41.769
LGA    D    21_A      D    21_A     3.531     0    0.064   1.016     4.487   50.238   53.155
LGA    N    22_A      N    22_A     1.435     0    0.165   0.286     2.281   81.548   78.333
LGA    E    23_A      E    23_A     1.024     0    0.032   0.867     5.373   83.690   63.968
LGA    Q    24_A      Q    24_A     1.167     0    0.023   0.072     1.349   85.952   83.439
LGA    Y    25_A      Y    25_A     0.633     0    0.048   0.076     0.837   90.476   90.476
LGA    K    26_A      K    26_A     0.702     0    0.025   0.848     2.739   90.476   80.106
LGA    E    27_A      E    27_A     0.741     0    0.027   1.315     5.177   90.476   73.333
LGA    L    28_A      L    28_A     0.690     0    0.037   0.097     0.966   90.476   90.476
LGA    A    29_A      A    29_A     0.542     0    0.049   0.065     0.614   90.476   92.381
LGA    H    30_A      H    30_A     0.615     0    0.012   0.063     0.615   90.476   93.333
LGA    F    31_A      F    31_A     0.606     0    0.017   0.093     0.753   90.476   90.476
LGA    A    32_A      A    32_A     0.603     0    0.039   0.049     0.622   90.476   90.476
LGA    V    33_A      V    33_A     0.512     0    0.086   0.792     2.245   90.476   86.871
LGA    S    34_A      S    34_A     0.606     0    0.028   0.029     0.660   90.476   92.063
LGA    K    35_A      K    35_A     0.504     0    0.047   0.159     1.557   92.857   88.571
LGA    Q    36_A      Q    36_A     0.784     0    0.098   0.129     1.188   90.476   87.460
LGA    V    37_A      V    37_A     1.137     0    0.031   0.057     1.429   81.429   81.429
LGA    E    38_A      E    38_A     2.002     0    0.036   1.006     5.296   72.976   55.503
LGA    G    39_A      G    39_A     1.296     0    0.026   0.026     1.526   83.810   83.810
LGA    R    40_A      R    40_A     0.650     0    0.016   0.127     0.883   90.476   91.342
LGA    E    41_A      E    41_A     0.674     0    0.054   0.289     0.908   90.476   90.476
LGA    F    42_A      F    42_A     0.457     0    0.026   0.063     0.619   97.619   95.671
LGA    F    43_A      F    43_A     0.402     0    0.025   0.100     0.497  100.000  100.000
LGA    D    44_A      D    44_A     0.151     0    0.038   0.072     0.514  100.000   98.810
LGA    T    45_A      T    45_A     0.129     0    0.069   0.105     0.309  100.000  100.000
LGA    V    46_A      V    46_A     0.292     0    0.016   0.074     0.667  100.000   97.279
LGA    L    47_A      L    47_A     0.179     0    0.024   0.040     0.292  100.000  100.000
LGA    E    48_A      E    48_A     0.266     0    0.044   0.178     0.584  100.000   98.942
LGA    V    49_A      V    49_A     0.386     0    0.037   0.056     0.588   97.619   97.279
LGA    T    50_A      T    50_A     0.183     0    0.019   0.081     0.287  100.000  100.000
LGA    D    51_A      D    51_A     0.185     0    0.019   0.846     3.485  100.000   83.095
LGA    V    52_A      V    52_A     0.184     0    0.055   0.069     0.381  100.000  100.000
LGA    E    53_A      E    53_A     0.303     0    0.055   0.914     4.049  100.000   86.085
LGA    T    54_A      T    54_A     0.326     0    0.080   0.125     0.587   97.619   94.558
LGA    Q    55_A      Q    55_A     0.280     0    0.065   0.412     1.695  100.000   95.926
LGA    V    56_A      V    56_A     1.057     0    0.022   0.055     1.390   85.952   84.014
LGA    V    57_A      V    57_A     1.448     0    0.338   1.186     4.852   62.857   64.150
LGA    A    58_A      A    58_A     2.371     0    0.045   0.057     3.169   66.786   63.429
LGA    G    59_A      G    59_A     0.921     0    0.014   0.014     1.485   85.952   85.952
LGA    T    60_A      T    60_A     0.437     0    0.051   0.075     0.873   97.619   94.558
LGA    N    61_A      N    61_A     0.668     0    0.064   0.477     2.011   92.857   88.452
LGA    Y    62_A      Y    62_A     0.479     0    0.025   0.091     0.752   92.857   95.238
LGA    R    63_A      R    63_A     0.506     0    0.028   0.624     1.530   95.238   89.004
LGA    I    64_A      I    64_A     0.358     0    0.015   0.077     0.611  100.000   97.619
LGA    T    65_A      T    65_A     0.233     0    0.032   0.049     0.315  100.000  100.000
LGA    F    66_A      F    66_A     0.251     0    0.028   0.121     0.761  100.000   97.403
LGA    K    67_A      K    67_A     0.177     0    0.022   0.101     0.395  100.000  100.000
LGA    I    68_A      I    68_A     0.211     0    0.025   0.049     0.252  100.000  100.000
LGA    A    69_A      A    69_A     0.117     0    0.031   0.049     0.192  100.000  100.000
LGA    E    70_A      E    70_A     0.153     0    0.000   0.342     0.916  100.000   97.884
LGA    S    71_A      S    71_A     0.292     0    0.017   0.050     0.493  100.000  100.000
LGA    T    72_A      T    72_A     0.499     0    0.012   0.037     0.636   92.857   91.837
LGA    C    73_A      C    73_A     0.520     0    0.023   0.066     0.617   90.476   90.476
LGA    R    74_A      R    74_A     0.568     0    0.031   0.834     3.634   92.857   85.455
LGA    V    75_A      V    75_A     0.472     0    0.035   0.033     0.656   97.619   97.279
LGA    T    76_A      T    76_A     0.493     0    0.060   0.150     1.118  100.000   93.333
LGA    E    77_A      E    77_A     0.572     0    0.027   0.600     1.842   90.476   87.513
LGA    T    78_A      T    78_A     0.647     0    0.063   0.089     0.901   90.476   90.476
LGA    Y    79_A      Y    79_A     0.365     0    0.043   0.127     0.639  100.000   97.619
LGA    S    80_A      S    80_A     0.421     0    0.016   0.245     0.721  100.000   96.825
LGA    K    81_A      K    81_A     0.833     0    0.034   0.664     3.445   85.952   74.550
LGA    E    82_A      E    82_A     1.249     0    0.076   1.354     5.326   81.429   64.921
LGA    T    83_A      T    83_A     0.920     0    0.055   0.057     1.150   88.214   87.891
LGA    C    84_A      C    84_A     0.399     0    0.103   0.107     0.637  100.000   98.413
LGA    L    85_A      L    85_A     0.555     0    0.037   0.085     1.126   95.238   90.595
LGA    P    86_A      P    86_A     0.229     0    0.038   0.275     0.608   97.619   97.279
LGA    K    87_A      K    87_A     0.282     0    0.041   0.069     0.436  100.000  100.000
LGA    T    88_A      T    88_A     0.282     0    0.026   0.041     0.468  100.000  100.000
LGA    R    89_A      R    89_A     0.541     6    0.034   0.034     0.721   90.476   41.126
LGA    D    90_A      D    90_A     0.578     0    0.020   0.240     1.664   95.238   88.393
LGA    V    91_A      V    91_A     0.261     0    0.021   0.025     0.357  100.000  100.000
LGA    K    92_A      K    92_A     0.138     0    0.050   0.139     1.398  100.000   94.815
LGA    S    93_A      S    93_A     0.317     0    0.082   0.672     1.813  100.000   93.889
LGA    T    94_A      T    94_A     0.244     0    0.032   0.049     0.412  100.000  100.000
LGA    C    95_A      C    95_A     0.168     0    0.035   0.046     0.214  100.000  100.000
LGA    T    96_A      T    96_A     0.360     0    0.010   0.042     0.496  100.000  100.000
LGA    A    97_A      A    97_A     0.301     0    0.030   0.032     0.496  100.000  100.000
LGA    V    98_A      V    98_A     0.921     0    0.028   0.037     1.235   90.476   87.891
LGA    I    99_A      I    99_A     0.943     0    0.020   0.453     1.294   90.476   88.214
LGA    T   100_A      T   100_A     0.504     0    0.017   0.046     0.831   92.857   91.837
LGA    E   101_A      E   101_A     0.472     0    0.032   0.511     1.538   95.238   90.688
LGA    P   102_A      P   102_A     0.597     0    0.027   0.201     0.771   95.238   95.918
LGA    L   103_A      L   103_A     0.560     0    0.158   1.375     2.849   92.857   82.202
LGA    N   104_A      N   104_A     1.601     0    0.216   1.234     6.239   62.143   44.881
LGA    N   105_A      N   105_A     4.909     0    0.693   0.574    10.552   43.690   23.274
LGA    E   106_A      E   106_A     1.218     0    0.124   0.529     5.271   75.119   58.624
LGA    R   107_A      R   107_A     1.170     0    0.123   1.134     4.299   83.690   75.238
LGA    F   108_A      F   108_A     1.235     0    0.117   1.291     4.910   83.690   69.610
LGA    V   109_A      V   109_A     0.872     0    0.051   0.063     0.944   90.476   90.476
LGA    H   110_A      H   110_A     1.121     0    0.072   1.185     4.961   81.429   68.619
LGA    S   111_A      S   111_A     0.877     0    0.059   0.084     0.989   90.476   90.476
LGA    F   112_A      F   112_A     0.357     0    0.062   0.159     0.777   97.619   95.671
LGA    T   113_A      T   113_A     0.372     0    0.156   1.195     2.547   97.619   87.483
LGA    C   114_A      C   114_A     0.407     0    0.128   0.143     0.910   97.619   98.413
LGA    G   115_A      G   115_A     0.394     0    0.648   0.648     2.869   86.905   86.905

# 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):     1.086          1.097                  1.621           90.639   86.325

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.98    94.175    97.160     9.430

LGA_LOCAL      RMSD:   0.982  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.090  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.086  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.287494 * X  +   0.583300 * Y  +  -0.759676 * Z  + -28.833632
  Y_new =   0.939814 * X  +  -0.018886 * Y  +   0.341165 * Z  +  30.379780
  Z_new =   0.184655 * X  +  -0.812037 * Y  +  -0.553623 * Z  +   0.580366 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.273931 -0.185720 -2.169183   [DEG:   72.9909  -10.6410 -124.2850 ]
ZXZ: -1.992895  2.157505  2.917998   [DEG: -114.1845  123.6159  167.1890 ]
 
# END of job
