
#######################################################
#                                                     #
#                        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       1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96      20_A - 115_A       0.96     1.05
  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     16   84   96   99  101  101  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     25   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     13   82   96   99  101  101  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      2    3    4   22   28   52   81  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    4   53   93  101  101  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    4    7   53  101  101  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     55   85   96   99  101  101  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     55   85   96   99  101  101  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     55   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     54   85   96   99  101  101  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      9   70   96   99  101  101  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      4   28   88   99  101  101  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     24   85   96   99  101  101  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     60   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     13   85   96   99  101  101  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     17   85   96   99  101  101  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      9   27   48   99  101  101  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     17   85   96   99  101  101  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     65   85   96   99  101  101  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     45   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     61   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     30   85   96   99  101  101  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     11   85   96   99  101  101  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     57   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     64   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     54   85   96   99  101  101  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     45   85   96   99  101  101  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     62   85   96   99  101  101  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     57   85   96   99  101  101  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     57   85   96   99  101  101  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     58   85   96   99  101  101  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    8   90   99  101  101  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    7    9   48   93  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     96  103  103     15   76   96   99  101  101  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   76   96   99  101  101  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     13   85   96   99  101  101  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     65   85   96   99  101  101  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     55   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65   85   96   99  101  101  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     65     85     96     99    101    101    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  63.11  82.52  93.20  96.12  98.06  98.06  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    0.29   0.45   0.61   0.70   0.82   0.82   0.82   0.92   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04
GDT RMS_ALL_AT   1.13   1.09   1.06   1.05   1.05   1.05   1.05   1.05   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04

# 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    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_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:  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     1.311     0    0.147   0.147     1.311   85.952   85.952
LGA    W    14_A      W    14_A     0.610     0    0.013   0.073     1.057   90.476   90.510
LGA    Q    15_A      Q    15_A     0.253     0    0.042   1.025     4.316  100.000   86.085
LGA    K    16_A      K    16_A     0.199     0    0.021   0.215     1.896  100.000   89.894
LGA    K    17_A      K    17_A     0.257     0    0.063   0.647     1.955   95.238   90.794
LGA    T    18_A      T    18_A     1.188     0    0.140   0.940     3.979   66.310   67.075
LGA    P    19_A      P    19_A     4.395     0    0.672   0.597     7.238   43.690   30.748
LGA    V    20_A      V    20_A     2.923     0    0.622   0.916     6.947   55.000   44.014
LGA    D    21_A      D    21_A     3.093     0    0.058   0.925     3.948   55.476   57.440
LGA    N    22_A      N    22_A     1.290     0    0.158   0.229     1.965   83.690   81.488
LGA    E    23_A      E    23_A     0.982     0    0.056   0.895     5.166   88.214   67.302
LGA    Q    24_A      Q    24_A     1.105     0    0.024   0.334     1.672   85.952   82.487
LGA    Y    25_A      Y    25_A     0.615     0    0.049   0.071     0.814   90.476   90.476
LGA    K    26_A      K    26_A     0.632     0    0.021   0.872     3.114   90.476   77.460
LGA    E    27_A      E    27_A     0.684     0    0.026   1.169     4.175   90.476   72.857
LGA    L    28_A      L    28_A     0.646     0    0.037   0.094     0.922   90.476   90.476
LGA    A    29_A      A    29_A     0.481     0    0.048   0.064     0.562   92.857   94.286
LGA    H    30_A      H    30_A     0.515     0    0.012   0.097     0.530   92.857   97.143
LGA    F    31_A      F    31_A     0.538     0    0.015   0.108     0.674   90.476   93.074
LGA    A    32_A      A    32_A     0.530     0    0.039   0.048     0.552   90.476   92.381
LGA    V    33_A      V    33_A     0.427     0    0.093   0.792     2.082   95.238   89.592
LGA    S    34_A      S    34_A     0.485     0    0.031   0.034     0.554   97.619   98.413
LGA    K    35_A      K    35_A     0.411     0    0.065   0.193     1.842  100.000   91.746
LGA    Q    36_A      Q    36_A     0.738     0    0.077   0.107     0.900   90.476   90.476
LGA    V    37_A      V    37_A     1.348     0    0.051   0.074     1.554   77.143   78.980
LGA    E    38_A      E    38_A     2.118     0    0.036   1.091     5.903   70.833   52.169
LGA    G    39_A      G    39_A     1.182     0    0.041   0.041     1.454   85.952   85.952
LGA    R    40_A      R    40_A     0.499     0    0.012   0.948     2.817   97.619   91.818
LGA    E    41_A      E    41_A     0.262     0    0.063   0.627     1.942  100.000   93.810
LGA    F    42_A      F    42_A     0.290     0    0.024   0.064     0.617  100.000   97.403
LGA    F    43_A      F    43_A     0.359     0    0.022   0.096     0.460  100.000  100.000
LGA    D    44_A      D    44_A     0.096     0    0.036   0.072     0.437  100.000  100.000
LGA    T    45_A      T    45_A     0.180     0    0.063   0.098     0.386  100.000  100.000
LGA    V    46_A      V    46_A     0.166     0    0.015   0.069     0.408  100.000  100.000
LGA    L    47_A      L    47_A     0.234     0    0.020   0.037     0.442  100.000  100.000
LGA    E    48_A      E    48_A     0.416     0    0.032   0.614     1.757  100.000   91.746
LGA    V    49_A      V    49_A     0.437     0    0.034   0.058     0.641  100.000   95.918
LGA    T    50_A      T    50_A     0.234     0    0.016   0.083     0.446  100.000  100.000
LGA    D    51_A      D    51_A     0.131     0    0.018   0.942     4.258  100.000   84.345
LGA    V    52_A      V    52_A     0.227     0    0.040   0.055     0.492  100.000  100.000
LGA    E    53_A      E    53_A     0.358     0    0.047   0.939     4.057  100.000   85.026
LGA    T    54_A      T    54_A     0.215     0    0.075   0.112     0.520  100.000   98.639
LGA    Q    55_A      Q    55_A     0.260     0    0.053   0.482     2.028  100.000   95.026
LGA    V    56_A      V    56_A     0.986     0    0.019   0.054     1.408   90.476   86.599
LGA    V    57_A      V    57_A     1.192     0    0.309   1.128     4.615   62.857   65.442
LGA    A    58_A      A    58_A     2.307     0    0.063   0.073     3.117   68.929   65.143
LGA    G    59_A      G    59_A     1.024     0    0.018   0.018     1.536   81.548   81.548
LGA    T    60_A      T    60_A     0.520     0    0.051   0.079     1.037   92.857   90.544
LGA    N    61_A      N    61_A     0.755     0    0.064   0.491     2.152   90.476   87.262
LGA    Y    62_A      Y    62_A     0.539     0    0.017   0.124     0.833   90.476   90.476
LGA    R    63_A      R    63_A     0.438     0    0.011   0.615     1.687   97.619   88.398
LGA    I    64_A      I    64_A     0.351     0    0.018   0.069     0.638  100.000   97.619
LGA    T    65_A      T    65_A     0.207     0    0.031   0.055     0.297  100.000  100.000
LGA    F    66_A      F    66_A     0.310     0    0.028   0.103     0.593  100.000   98.268
LGA    K    67_A      K    67_A     0.203     0    0.025   0.111     0.839  100.000   96.825
LGA    I    68_A      I    68_A     0.142     0    0.023   0.044     0.224  100.000  100.000
LGA    A    69_A      A    69_A     0.226     0    0.026   0.041     0.249  100.000  100.000
LGA    E    70_A      E    70_A     0.247     0    0.000   0.353     1.094  100.000   96.878
LGA    S    71_A      S    71_A     0.282     0    0.017   0.047     0.441  100.000  100.000
LGA    T    72_A      T    72_A     0.439     0    0.023   0.050     0.515   97.619   98.639
LGA    C    73_A      C    73_A     0.434     0    0.026   0.071     0.627  100.000   98.413
LGA    R    74_A      R    74_A     0.285     0    0.029   0.797     3.110  100.000   92.035
LGA    V    75_A      V    75_A     0.293     0    0.034   0.037     0.382  100.000  100.000
LGA    T    76_A      T    76_A     0.299     0    0.073   0.156     1.025  100.000   94.626
LGA    E    77_A      E    77_A     0.378     0    0.041   0.127     0.685  100.000   98.942
LGA    T    78_A      T    78_A     0.539     0    0.051   0.065     0.716   95.238   94.558
LGA    Y    79_A      Y    79_A     0.401     0    0.053   0.144     0.638  100.000   97.619
LGA    S    80_A      S    80_A     0.264     0    0.020   0.035     0.442  100.000  100.000
LGA    K    81_A      K    81_A     0.747     0    0.041   0.685     3.612   90.476   75.820
LGA    E    82_A      E    82_A     0.998     0    0.065   1.011     3.238   88.214   75.608
LGA    T    83_A      T    83_A     0.692     0    0.067   0.073     0.911   90.476   90.476
LGA    C    84_A      C    84_A     0.345     0    0.094   0.094     0.675  100.000   98.413
LGA    L    85_A      L    85_A     0.423     0    0.034   0.093     0.983   97.619   95.238
LGA    P    86_A      P    86_A     0.213     0    0.038   0.276     0.686   97.619   97.279
LGA    K    87_A      K    87_A     0.294     0    0.031   0.066     0.535  100.000   98.942
LGA    T    88_A      T    88_A     0.342     0    0.025   0.035     0.510  100.000   98.639
LGA    R    89_A      R    89_A     0.586     6    0.027   0.028     0.707   90.476   41.126
LGA    D    90_A      D    90_A     0.768     0    0.018   0.374     2.104   92.857   86.190
LGA    V    91_A      V    91_A     0.449     0    0.019   0.029     0.569   97.619   97.279
LGA    K    92_A      K    92_A     0.293     0    0.042   0.125     1.264  100.000   95.820
LGA    S    93_A      S    93_A     0.193     0    0.073   0.647     1.721  100.000   93.889
LGA    T    94_A      T    94_A     0.047     0    0.050   0.077     0.288  100.000  100.000
LGA    C    95_A      C    95_A     0.069     0    0.039   0.049     0.164  100.000  100.000
LGA    T    96_A      T    96_A     0.233     0    0.007   0.047     0.347  100.000  100.000
LGA    A    97_A      A    97_A     0.252     0    0.022   0.028     0.462  100.000  100.000
LGA    V    98_A      V    98_A     0.862     0    0.019   0.032     1.189   90.476   89.184
LGA    I    99_A      I    99_A     0.900     0    0.018   0.451     1.257   90.476   89.345
LGA    T   100_A      T   100_A     0.507     0    0.011   0.048     0.856   92.857   91.837
LGA    E   101_A      E   101_A     0.596     0    0.015   0.502     1.529   90.476   87.513
LGA    P   102_A      P   102_A     0.705     0    0.014   0.337     0.868   90.476   90.476
LGA    L   103_A      L   103_A     0.554     0    0.156   1.372     3.026   92.857   80.238
LGA    N   104_A      N   104_A     1.610     0    0.215   1.250     5.957   60.357   46.607
LGA    N   105_A      N   105_A     5.150     0    0.692   0.541    10.593   39.048   20.595
LGA    E   106_A      E   106_A     1.420     0    0.126   0.603     4.559   73.214   61.005
LGA    R   107_A      R   107_A     1.242     0    0.131   1.160     4.460   83.690   72.944
LGA    F   108_A      F   108_A     1.163     0    0.132   1.250     4.775   85.952   70.433
LGA    V   109_A      V   109_A     0.701     0    0.045   0.066     0.785   90.476   94.558
LGA    H   110_A      H   110_A     1.043     0    0.073   1.221     5.092   85.952   68.381
LGA    S   111_A      S   111_A     0.743     0    0.031   0.034     0.868   92.857   92.063
LGA    F   112_A      F   112_A     0.349     0    0.045   0.144     0.747   97.619   95.671
LGA    T   113_A      T   113_A     0.251     0    0.126   1.022     2.348   97.619   88.571
LGA    C   114_A      C   114_A     0.353     0    0.098   0.107     0.792   97.619   98.413
LGA    G   115_A      G   115_A     0.224     0    0.656   0.656     3.380   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):     1.044          1.063                  1.581           91.668   87.265

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.92    94.417    97.432     9.980

LGA_LOCAL      RMSD:   0.922  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.049  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.044  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.888379 * X  +  -0.161561 * Y  +  -0.429746 * Z  + -24.740271
  Y_new =  -0.455535 * X  +  -0.193583 * Y  +  -0.868915 * Z  +  27.022575
  Z_new =   0.057191 * X  +   0.967690 * Y  +  -0.245572 * Z  +  -2.751203 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.473813 -0.057222  1.819321   [DEG:  -27.1475   -3.2786  104.2394 ]
ZXZ: -0.459300  1.818906  0.059032   [DEG:  -26.3160  104.2156    3.3823 ]
 
# END of job
