
#######################################################
#                                                     #
#                        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       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       0.97     1.12
  LCS_AVERAGE:     92.01

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     11   46   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     15   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     61   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     11   38   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      2    3    3   22   27   40   85  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     92  103  103      3    3    5    5  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      3    3    7   25   49   97  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103      9   72   94   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     53   83   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     35   81   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     50   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     21   83   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103     11   50   90   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     17   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     56   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103      7   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     15   70   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      5   30   53   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     15   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     59   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103      7   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103      7   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     53   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     53   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     64   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     41   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     57   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3   21   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     95  103  103      3    3    4    7   42   52   95  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   47   93   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      3   70   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     14   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     65   84   95   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.34  (  92.01  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     65     84     95     98    100    100    101    102    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  63.11  81.55  92.23  95.15  97.09  97.09  98.06  99.03  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    0.29   0.45   0.65   0.71   0.81   0.81   0.88   0.99   0.99   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11
GDT RMS_ALL_AT   1.24   1.15   1.12   1.12   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_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    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     1.730     0    0.168   0.168     1.773   77.143   77.143
LGA    W    14_A      W    14_A     0.842     0    0.012   0.129     1.488   88.214   88.537
LGA    Q    15_A      Q    15_A     0.437     0    0.035   1.125     4.611  100.000   83.333
LGA    K    16_A      K    16_A     0.152     0    0.015   0.747     4.373  100.000   79.630
LGA    K    17_A      K    17_A     0.338     0    0.056   0.650     1.798   95.238   90.794
LGA    T    18_A      T    18_A     1.439     0    0.135   0.800     4.305   62.500   61.361
LGA    P    19_A      P    19_A     4.621     0    0.662   0.597     7.249   40.833   28.571
LGA    V    20_A      V    20_A     3.030     0    0.637   0.905     7.104   51.071   42.245
LGA    D    21_A      D    21_A     3.525     0    0.058   1.020     4.378   50.238   53.155
LGA    N    22_A      N    22_A     1.575     0    0.145   0.213     2.171   77.143   75.060
LGA    E    23_A      E    23_A     1.193     0    0.047   0.839     3.734   81.429   69.947
LGA    Q    24_A      Q    24_A     1.313     0    0.020   0.084     1.530   81.429   80.476
LGA    Y    25_A      Y    25_A     0.716     0    0.048   0.054     0.961   90.476   90.476
LGA    K    26_A      K    26_A     0.657     0    0.023   0.858     3.076   90.476   77.460
LGA    E    27_A      E    27_A     0.739     0    0.026   1.261     4.875   90.476   74.709
LGA    L    28_A      L    28_A     0.740     0    0.012   0.107     1.139   90.476   89.345
LGA    A    29_A      A    29_A     0.487     0    0.048   0.063     0.599   95.238   96.190
LGA    H    30_A      H    30_A     0.483     0    0.011   0.070     0.513   95.238   98.095
LGA    F    31_A      F    31_A     0.574     0    0.014   0.087     0.797   90.476   90.476
LGA    A    32_A      A    32_A     0.519     0    0.047   0.058     0.564   90.476   92.381
LGA    V    33_A      V    33_A     0.531     0    0.078   1.329     2.710   90.476   82.041
LGA    S    34_A      S    34_A     0.609     0    0.027   0.031     0.640   90.476   92.063
LGA    K    35_A      K    35_A     0.441     0    0.060   0.160     1.486  100.000   92.698
LGA    Q    36_A      Q    36_A     0.740     0    0.091   0.123     0.905   90.476   90.476
LGA    V    37_A      V    37_A     1.210     0    0.024   0.038     1.540   79.286   80.204
LGA    E    38_A      E    38_A     2.035     0    0.041   1.000     5.459   70.833   54.550
LGA    G    39_A      G    39_A     1.254     0    0.043   0.043     1.500   83.810   83.810
LGA    R    40_A      R    40_A     0.659     0    0.016   1.099     3.298   90.476   84.329
LGA    E    41_A      E    41_A     0.527     0    0.070   0.295     0.814   97.619   93.651
LGA    F    42_A      F    42_A     0.427     0    0.020   0.056     0.611  100.000   96.537
LGA    F    43_A      F    43_A     0.411     0    0.031   0.098     0.657   97.619   93.939
LGA    D    44_A      D    44_A     0.083     0    0.060   0.181     0.623  100.000   97.619
LGA    T    45_A      T    45_A     0.121     0    0.067   0.105     0.284  100.000  100.000
LGA    V    46_A      V    46_A     0.248     0    0.015   0.069     0.554  100.000   98.639
LGA    L    47_A      L    47_A     0.128     0    0.024   0.036     0.215  100.000  100.000
LGA    E    48_A      E    48_A     0.232     0    0.054   0.156     0.487  100.000  100.000
LGA    V    49_A      V    49_A     0.339     0    0.026   0.069     0.604  100.000   98.639
LGA    T    50_A      T    50_A     0.227     0    0.019   0.084     0.379  100.000  100.000
LGA    D    51_A      D    51_A     0.182     0    0.024   0.871     3.594  100.000   82.262
LGA    V    52_A      V    52_A     0.175     0    0.058   0.077     0.435  100.000  100.000
LGA    E    53_A      E    53_A     0.312     0    0.059   0.849     3.776  100.000   85.873
LGA    T    54_A      T    54_A     0.205     0    0.082   0.122     0.505   97.619   98.639
LGA    Q    55_A      Q    55_A     0.220     0    0.069   0.384     1.750  100.000   95.926
LGA    V    56_A      V    56_A     1.056     0    0.024   0.061     1.405   85.952   84.014
LGA    V    57_A      V    57_A     1.447     0    0.337   1.445     4.831   62.857   62.721
LGA    A    58_A      A    58_A     2.385     0    0.063   0.073     3.145   66.786   63.429
LGA    G    59_A      G    59_A     1.082     0    0.022   0.022     1.617   81.548   81.548
LGA    T    60_A      T    60_A     0.467     0    0.048   0.070     0.926   95.238   93.197
LGA    N    61_A      N    61_A     0.684     0    0.065   0.517     2.186   92.857   88.452
LGA    Y    62_A      Y    62_A     0.484     0    0.015   0.092     0.819   95.238   96.032
LGA    R    63_A      R    63_A     0.406     0    0.019   0.638     1.802  100.000   91.602
LGA    I    64_A      I    64_A     0.333     0    0.025   0.083     0.623  100.000   98.810
LGA    T    65_A      T    65_A     0.261     0    0.036   0.055     0.363  100.000  100.000
LGA    F    66_A      F    66_A     0.229     0    0.031   0.124     0.625  100.000   98.268
LGA    K    67_A      K    67_A     0.173     0    0.020   0.105     0.351  100.000  100.000
LGA    I    68_A      I    68_A     0.176     0    0.024   0.057     0.237  100.000  100.000
LGA    A    69_A      A    69_A     0.148     0    0.034   0.052     0.218  100.000  100.000
LGA    E    70_A      E    70_A     0.168     0    0.000   0.346     0.898  100.000   97.884
LGA    S    71_A      S    71_A     0.317     0    0.018   0.050     0.467  100.000  100.000
LGA    T    72_A      T    72_A     0.505     0    0.014   0.038     0.634   92.857   91.837
LGA    C    73_A      C    73_A     0.508     0    0.023   0.056     0.628   90.476   90.476
LGA    R    74_A      R    74_A     0.429     0    0.031   0.836     3.316  100.000   91.169
LGA    V    75_A      V    75_A     0.407     0    0.030   0.042     0.465  100.000  100.000
LGA    T    76_A      T    76_A     0.385     0    0.072   0.144     1.020  100.000   94.626
LGA    E    77_A      E    77_A     0.506     0    0.031   0.160     0.612   95.238   94.709
LGA    T    78_A      T    78_A     0.587     0    0.047   0.062     0.780   92.857   91.837
LGA    Y    79_A      Y    79_A     0.336     0    0.038   0.101     0.563  100.000   96.825
LGA    S    80_A      S    80_A     0.385     0    0.014   0.240     0.645  100.000   96.825
LGA    K    81_A      K    81_A     0.855     0    0.042   0.694     3.454   88.214   75.556
LGA    E    82_A      E    82_A     1.180     0    0.066   1.355     5.393   81.429   65.185
LGA    T    83_A      T    83_A     0.832     0    0.052   0.058     1.155   90.476   89.184
LGA    C    84_A      C    84_A     0.275     0    0.106   0.113     0.663  100.000   98.413
LGA    L    85_A      L    85_A     0.463     0    0.039   0.084     1.065   97.619   91.786
LGA    P    86_A      P    86_A     0.207     0    0.037   0.267     0.561  100.000   98.639
LGA    K    87_A      K    87_A     0.307     0    0.039   0.075     0.510  100.000   98.942
LGA    T    88_A      T    88_A     0.328     0    0.026   0.037     0.549  100.000   98.639
LGA    R    89_A      R    89_A     0.567     6    0.048   0.048     0.790   90.476   41.126
LGA    D    90_A      D    90_A     0.577     0    0.015   0.240     1.700   95.238   88.393
LGA    V    91_A      V    91_A     0.322     0    0.016   0.025     0.392  100.000  100.000
LGA    K    92_A      K    92_A     0.220     0    0.037   0.157     1.410  100.000   95.820
LGA    S    93_A      S    93_A     0.153     0    0.071   0.629     1.813  100.000   93.889
LGA    T    94_A      T    94_A     0.162     0    0.051   0.076     0.391  100.000  100.000
LGA    C    95_A      C    95_A     0.109     0    0.033   0.037     0.148  100.000  100.000
LGA    T    96_A      T    96_A     0.337     0    0.012   0.044     0.484  100.000  100.000
LGA    A    97_A      A    97_A     0.256     0    0.034   0.034     0.404  100.000  100.000
LGA    V    98_A      V    98_A     0.856     0    0.045   0.051     1.185   90.476   89.184
LGA    I    99_A      I    99_A     0.836     0    0.025   0.111     1.009   90.476   89.345
LGA    T   100_A      T   100_A     0.504     0    0.027   0.045     0.645   92.857   91.837
LGA    E   101_A      E   101_A     0.438     0    0.022   0.520     1.457   95.238   91.640
LGA    P   102_A      P   102_A     0.753     0    0.034   0.106     0.993   90.476   90.476
LGA    L   103_A      L   103_A     0.505     0    0.174   1.375     2.936   90.476   79.940
LGA    N   104_A      N   104_A     1.543     0    0.216   1.242     5.910   60.357   46.607
LGA    N   105_A      N   105_A     5.350     0    0.669   0.558    10.998   39.048   20.476
LGA    E   106_A      E   106_A     1.716     0    0.012   0.490     6.058   65.000   50.741
LGA    R   107_A      R   107_A     1.345     0    0.127   1.127     4.294   83.690   73.636
LGA    F   108_A      F   108_A     1.007     0    0.138   1.282     5.174   85.952   67.186
LGA    V   109_A      V   109_A     0.739     0    0.040   0.055     0.797   90.476   90.476
LGA    H   110_A      H   110_A     1.015     0    0.073   1.170     5.006   85.952   69.048
LGA    S   111_A      S   111_A     0.779     0    0.036   0.047     0.871   90.476   90.476
LGA    F   112_A      F   112_A     0.357     0    0.043   0.099     0.539  100.000   99.134
LGA    T   113_A      T   113_A     0.332     0    0.134   1.060     2.458   97.619   88.571
LGA    C   114_A      C   114_A     0.319     0    0.123   0.135     0.847   97.619   98.413
LGA    G   115_A      G   115_A     0.200     0    0.609   0.609     3.045   82.857   82.857

# 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):     1.110          1.125                  1.644           90.793   86.322

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.99    93.932    97.045     9.387

LGA_LOCAL      RMSD:   0.987  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.114  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.110  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.624074 * X  +  -0.024099 * Y  +  -0.780994 * Z  + -27.648788
  Y_new =  -0.281253 * X  +   0.925599 * Y  +  -0.253304 * Z  +  30.965401
  Z_new =   0.728992 * X  +   0.377738 * Y  +   0.570864 * Z  +  -0.617970 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.423414 -0.816848  0.584553   [DEG:  -24.2598  -46.8019   33.4924 ]
ZXZ: -1.257166  0.963239  1.092723   [DEG:  -72.0303   55.1895   62.6084 ]
 
# END of job
