
#######################################################
#                                                     #
#                        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:    95      21_A - 115_A       0.96     1.10
  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     10   73   96   99   99  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     42   85   96   99   99  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     53   85   96   99   99  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     62   85   96   99   99  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     56   85   96   99   99  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     10   40   96   99   99  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   21   29   66   90  102  103  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   88   96  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      3    4    7   76   93  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103      9   74   93   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     42   83   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     41   82   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     59   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     19   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      5   50   88   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103      9   81   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     53   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     56   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     56   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     12   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     19   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      8   22   65   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     19   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     56   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     51   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     30   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     15   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     53   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     50   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     56   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     55   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     44   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     53   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3    4   96   99   99  100  101  102  103  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    5   51   65   96  101  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   77   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      7   77   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     14   82   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     62   84   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     62   85   96   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     62   85   96   99   99  100  101  102  103  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     62     85     96     99     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  60.19  82.52  93.20  96.12  96.12  97.09  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.51   0.66   0.74   0.74   0.82   0.88   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   1.24   1.11   1.10   1.10   1.10   1.10   1.10   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

# 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    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:  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     1.475     0    0.150   0.150     1.475   85.952   85.952
LGA    W    14_A      W    14_A     0.649     0    0.010   0.080     1.101   90.476   89.184
LGA    Q    15_A      Q    15_A     0.404     0    0.050   1.046     4.631  100.000   84.392
LGA    K    16_A      K    16_A     0.234     0    0.023   0.202     1.815   97.619   87.778
LGA    K    17_A      K    17_A     0.395     0    0.042   0.647     1.824   95.238   90.794
LGA    T    18_A      T    18_A     1.362     0    0.132   0.924     4.023   62.500   63.673
LGA    P    19_A      P    19_A     4.306     0    0.683   0.598     7.038   43.690   31.293
LGA    V    20_A      V    20_A     3.334     0    0.143   1.215     7.394   51.071   40.544
LGA    D    21_A      D    21_A     3.576     0    0.036   0.890     4.725   48.452   49.643
LGA    N    22_A      N    22_A     1.741     0    0.145   0.281     2.597   77.143   73.036
LGA    E    23_A      E    23_A     1.098     0    0.056   0.727     3.189   83.690   76.138
LGA    Q    24_A      Q    24_A     1.297     0    0.026   0.116     1.474   81.429   81.429
LGA    Y    25_A      Y    25_A     0.756     0    0.052   0.079     0.961   90.476   90.476
LGA    K    26_A      K    26_A     0.733     0    0.025   0.840     2.662   90.476   80.000
LGA    E    27_A      E    27_A     0.769     0    0.029   1.214     4.751   90.476   72.963
LGA    L    28_A      L    28_A     0.755     0    0.044   0.105     1.046   90.476   89.345
LGA    A    29_A      A    29_A     0.607     0    0.046   0.062     0.686   90.476   90.476
LGA    H    30_A      H    30_A     0.583     0    0.010   0.099     0.619   90.476   95.238
LGA    F    31_A      F    31_A     0.646     0    0.035   0.125     0.723   90.476   92.208
LGA    A    32_A      A    32_A     0.619     0    0.032   0.043     0.643   90.476   90.476
LGA    V    33_A      V    33_A     0.490     0    0.078   0.801     2.158   92.857   86.871
LGA    S    34_A      S    34_A     0.616     0    0.030   0.031     0.689   90.476   92.063
LGA    K    35_A      K    35_A     0.478     0    0.069   0.180     2.018  100.000   89.841
LGA    Q    36_A      Q    36_A     0.702     0    0.129   0.146     1.279   92.857   88.519
LGA    V    37_A      V    37_A     1.347     0    0.035   0.081     1.609   77.143   78.980
LGA    E    38_A      E    38_A     2.129     0    0.035   1.086     5.803   70.833   52.169
LGA    G    39_A      G    39_A     1.369     0    0.046   0.046     1.605   83.810   83.810
LGA    R    40_A      R    40_A     0.602     0    0.016   0.983     2.658   90.476   88.355
LGA    E    41_A      E    41_A     0.505     0    0.059   0.690     2.075   97.619   90.794
LGA    F    42_A      F    42_A     0.405     0    0.019   0.064     0.693  100.000   95.671
LGA    F    43_A      F    43_A     0.387     0    0.022   0.110     0.463  100.000  100.000
LGA    D    44_A      D    44_A     0.092     0    0.036   0.119     0.369  100.000  100.000
LGA    T    45_A      T    45_A     0.063     0    0.051   0.083     0.207  100.000  100.000
LGA    V    46_A      V    46_A     0.280     0    0.014   0.059     0.467  100.000  100.000
LGA    L    47_A      L    47_A     0.196     0    0.024   0.047     0.303  100.000  100.000
LGA    E    48_A      E    48_A     0.247     0    0.046   0.087     0.320  100.000  100.000
LGA    V    49_A      V    49_A     0.351     0    0.040   0.061     0.606  100.000   98.639
LGA    T    50_A      T    50_A     0.237     0    0.012   0.098     0.425  100.000  100.000
LGA    D    51_A      D    51_A     0.135     0    0.017   0.926     4.138  100.000   84.345
LGA    V    52_A      V    52_A     0.121     0    0.027   0.042     0.305  100.000  100.000
LGA    E    53_A      E    53_A     0.223     0    0.045   0.927     3.793  100.000   87.672
LGA    T    54_A      T    54_A     0.252     0    0.073   0.105     0.493  100.000  100.000
LGA    Q    55_A      Q    55_A     0.293     0    0.044   0.474     1.851  100.000   95.926
LGA    V    56_A      V    56_A     0.996     0    0.022   0.052     1.395   90.476   86.599
LGA    V    57_A      V    57_A     1.129     0    0.314   1.137     4.550   64.762   66.531
LGA    A    58_A      A    58_A     2.199     0    0.036   0.049     2.925   68.929   66.571
LGA    G    59_A      G    59_A     1.026     0    0.019   0.019     1.490   83.690   83.690
LGA    T    60_A      T    60_A     0.535     0    0.050   0.071     0.983   92.857   91.837
LGA    N    61_A      N    61_A     0.689     0    0.061   0.495     2.204   95.238   88.512
LGA    Y    62_A      Y    62_A     0.404     0    0.037   0.100     0.570   97.619   96.032
LGA    R    63_A      R    63_A     0.370     0    0.025   0.790     3.487  100.000   85.714
LGA    I    64_A      I    64_A     0.291     0    0.028   0.052     0.532  100.000   97.619
LGA    T    65_A      T    65_A     0.250     0    0.040   0.060     0.398  100.000  100.000
LGA    F    66_A      F    66_A     0.247     0    0.020   0.049     0.366  100.000  100.000
LGA    K    67_A      K    67_A     0.214     0    0.019   0.124     0.493  100.000  100.000
LGA    I    68_A      I    68_A     0.230     0    0.021   0.048     0.279  100.000  100.000
LGA    A    69_A      A    69_A     0.213     0    0.028   0.044     0.247  100.000  100.000
LGA    E    70_A      E    70_A     0.242     0    0.000   0.334     1.072  100.000   96.878
LGA    S    71_A      S    71_A     0.323     0    0.020   0.043     0.492  100.000  100.000
LGA    T    72_A      T    72_A     0.575     0    0.024   0.053     0.618   90.476   90.476
LGA    C    73_A      C    73_A     0.540     0    0.027   0.077     0.655   90.476   90.476
LGA    R    74_A      R    74_A     0.501     0    0.029   0.759     2.818   95.238   90.043
LGA    V    75_A      V    75_A     0.435     0    0.041   0.049     0.543   95.238   95.918
LGA    T    76_A      T    76_A     0.597     0    0.075   0.152     1.473   95.238   90.612
LGA    E    77_A      E    77_A     0.480     0    0.039   0.140     0.713   97.619   94.709
LGA    T    78_A      T    78_A     0.479     0    0.050   0.083     0.653   97.619   97.279
LGA    Y    79_A      Y    79_A     0.404     0    0.045   0.157     0.619   97.619   96.825
LGA    S    80_A      S    80_A     0.192     0    0.031   0.054     0.250  100.000  100.000
LGA    K    81_A      K    81_A     0.736     0    0.039   0.681     4.155   88.214   71.799
LGA    E    82_A      E    82_A     1.098     0    0.069   0.964     3.929   85.952   75.450
LGA    T    83_A      T    83_A     0.814     0    0.047   0.070     1.009   90.476   89.184
LGA    C    84_A      C    84_A     0.381     0    0.088   0.086     0.691  100.000   98.413
LGA    L    85_A      L    85_A     0.588     0    0.030   0.095     1.173   90.476   87.083
LGA    P    86_A      P    86_A     0.433     0    0.039   0.275     0.737   95.238   93.197
LGA    K    87_A      K    87_A     0.494     0    0.026   0.066     0.655   95.238   94.709
LGA    T    88_A      T    88_A     0.536     0    0.031   0.039     0.559   95.238   94.558
LGA    R    89_A      R    89_A     0.698     6    0.024   0.025     0.749   90.476   41.126
LGA    D    90_A      D    90_A     0.812     0    0.017   0.289     1.948   92.857   85.000
LGA    V    91_A      V    91_A     0.440     0    0.017   0.033     0.580   97.619   97.279
LGA    K    92_A      K    92_A     0.171     0    0.035   0.160     1.493  100.000   94.815
LGA    S    93_A      S    93_A     0.175     0    0.082   0.643     1.970  100.000   95.476
LGA    T    94_A      T    94_A     0.108     0    0.023   0.060     0.448  100.000  100.000
LGA    C    95_A      C    95_A     0.109     0    0.024   0.031     0.146  100.000  100.000
LGA    T    96_A      T    96_A     0.235     0    0.007   0.041     0.337  100.000  100.000
LGA    A    97_A      A    97_A     0.179     0    0.021   0.026     0.367  100.000  100.000
LGA    V    98_A      V    98_A     0.761     0    0.023   0.031     1.091   90.476   89.184
LGA    I    99_A      I    99_A     0.829     0    0.018   0.437     1.199   90.476   89.345
LGA    T   100_A      T   100_A     0.502     0    0.013   0.042     0.878   95.238   93.197
LGA    E   101_A      E   101_A     0.545     0    0.029   0.495     1.543   90.476   86.508
LGA    P   102_A      P   102_A     0.835     0    0.025   0.158     0.981   90.476   90.476
LGA    L   103_A      L   103_A     0.716     0    0.142   1.353     2.846   90.476   79.940
LGA    N   104_A      N   104_A     1.573     0    0.229   1.261     5.954   60.357   46.607
LGA    N   105_A      N   105_A     5.170     0    0.696   0.542    10.691   39.048   20.595
LGA    E   106_A      E   106_A     1.384     0    0.120   0.642     4.578   73.214   60.265
LGA    R   107_A      R   107_A     1.170     0    0.139   1.159     4.389   83.690   73.766
LGA    F   108_A      F   108_A     1.199     0    0.135   1.252     4.792   85.952   69.610
LGA    V   109_A      V   109_A     0.693     0    0.050   0.065     0.762   90.476   94.558
LGA    H   110_A      H   110_A     0.968     0    0.068   1.227     5.120   88.214   70.143
LGA    S   111_A      S   111_A     0.665     0    0.035   0.039     0.779   95.238   93.651
LGA    F   112_A      F   112_A     0.280     0    0.060   0.152     0.720  100.000   97.403
LGA    T   113_A      T   113_A     0.208     0    0.136   1.177     2.565   97.619   87.483
LGA    C   114_A      C   114_A     0.352     0    0.072   0.078     0.636   97.619   98.413
LGA    G   115_A      G   115_A     0.220     0    0.681   0.681     3.677   79.048   79.048

# 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):     1.094          1.107                  1.605           90.778   86.537

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.98    94.417    97.245     9.470

LGA_LOCAL      RMSD:   0.977  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.098  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.094  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.451396 * X  +  -0.164730 * Y  +   0.876987 * Z  + -28.336805
  Y_new =  -0.686576 * X  +   0.691876 * Y  +  -0.223430 * Z  +  30.443201
  Z_new =  -0.569960 * X  +  -0.702974 * Y  +  -0.425410 * Z  +   0.350181 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.152398  0.606457 -2.115000   [DEG: -123.3233   34.7474 -121.1805 ]
ZXZ:  1.321333  2.010211 -2.460311   [DEG:   75.7068  115.1766 -140.9654 ]
 
# END of job
