
#######################################################
#                                                     #
#                        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  104 (  790),  selected  104 , name one
# Molecule2: number of CA atoms  108 (  820),  selected  104 , 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:   104      19_A - 122_A       0.62     0.62
  LCS_AVERAGE:     96.30

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      19_A - 122_A       0.62     0.62
  LCS_AVERAGE:     96.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      19_A - 122_A       0.62     0.62
  LCS_AVERAGE:     96.30

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     I    19_A     I    19_A    104  104  104     13   98  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    20_A     T    20_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    21_A     S    21_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    22_A     I    22_A    104  104  104     44   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    23_A     L    23_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    24_A     N    24_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    25_A     P    25_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    26_A     A    26_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    27_A     D    27_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    28_A     I    28_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    29_A     T    29_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    30_A     K    30_A    104  104  104     47   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    31_A     A    31_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    32_A     L    32_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    33_A     E    33_A    104  104  104     47   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    34_A     Q    34_A    104  104  104     26   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    35_A     C    35_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    36_A     A    36_A    104  104  104      5   28   95  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    37_A     A    37_A    104  104  104      5   44   99  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    38_A     G    38_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    39_A     F    39_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    40_A     H    40_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    41_A     H    41_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    42_A     T    42_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    43_A     A    43_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    44_A     F    44_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    45_A     F    45_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    46_A     K    46_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    47_A     A    47_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    48_A     S    48_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    49_A     G    49_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    50_A     L    50_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    51_A     S    51_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    52_A     K    52_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    53_A     K    53_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A    104  104  104     54   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    55_A     D    55_A    104  104  104     35   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    56_A     A    56_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    58_A     L    58_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    59_A     A    59_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    60_A     E    60_A    104  104  104     50   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A    104  104  104     46   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    62_A     F    62_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    63_A     N    63_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    64_A     V    64_A    104  104  104     50   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    65_A     L    65_A    104  104  104     35   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    66_A     D    66_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    67_A     G    67_A    104  104  104     40   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    68_A     D    68_A    104  104  104     32   98  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    69_A     Q    69_A    104  104  104     33   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    70_A     S    70_A    104  104  104     40   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    71_A     G    71_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    72_A     Y    72_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    73_A     I    73_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    74_A     E    74_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    75_A     V    75_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    76_A     E    76_A    104  104  104     55   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    77_A     E    77_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    78_A     L    78_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    79_A     K    79_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    80_A     N    80_A    104  104  104     55   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    81_A     F    81_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    82_A     L    82_A    104  104  104     55   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    83_A     K    83_A    104  104  104     55   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    84_A     C    84_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    85_A     F    85_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    86_A     S    86_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    87_A     D    87_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    88_A     G    88_A    104  104  104     53   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    89_A     A    89_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    90_A     R    90_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    91_A     V    91_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    92_A     L    92_A    104  104  104     44   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    93_A     N    93_A    104  104  104     23   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    94_A     D    94_A    104  104  104     40   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    95_A     K    95_A    104  104  104     42   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    96_A     E    96_A    104  104  104     40   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    97_A     T    97_A    104  104  104     28   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    98_A     S    98_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    99_A     N    99_A    104  104  104     40   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   100_A     F   100_A    104  104  104     28   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   101_A     L   101_A    104  104  104     34   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A   102_A     A   102_A    104  104  104     21   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A   103_A     A   103_A    104  104  104     50   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   104_A     G   104_A    104  104  104     51   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   105_A     D   105_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   106_A     S   106_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   107_A     D   107_A    104  104  104     15   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   108_A     G   108_A    104  104  104     50   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   109_A     D   109_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H   110_A     H   110_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   111_A     K   111_A    104  104  104     55   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   112_A     I   112_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   114_A     V   114_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   115_A     D   115_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E   116_A     E   116_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   117_A     F   117_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   118_A     K   118_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   119_A     S   119_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M   120_A     M   120_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A   121_A     A   121_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   122_A     K   122_A    104  104  104     57   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A:  96.30  (  96.30   96.30   96.30 )

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     57     99    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  52.78  91.67  94.44  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30  96.30
GDT RMS_LOCAL    0.37   0.53   0.56   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62
GDT RMS_ALL_AT   0.63   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62

# Checking swapping
#   possible swapping detected:  F    45_A      F    45_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    76_A      E    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I    19_A      I    19_A     1.114     0    0.118   0.896     2.830   86.190   77.619
LGA    T    20_A      T    20_A     0.765     0    0.107   1.255     3.791   88.214   75.374
LGA    S    21_A      S    21_A     0.410     0    0.024   0.668     1.850   95.238   90.714
LGA    I    22_A      I    22_A     0.770     0    0.060   1.347     3.236   95.238   76.548
LGA    L    23_A      L    23_A     0.490     0    0.056   0.081     1.459  100.000   92.976
LGA    N    24_A      N    24_A     0.343     0    0.076   0.860     3.736  100.000   81.964
LGA    P    25_A      P    25_A     0.654     0    0.028   0.146     0.676   90.476   93.197
LGA    A    26_A      A    26_A     0.557     0    0.051   0.056     0.729   95.238   94.286
LGA    D    27_A      D    27_A     0.571     0    0.028   0.111     1.100   90.476   89.345
LGA    I    28_A      I    28_A     0.464     0    0.022   0.149     0.815   97.619   96.429
LGA    T    29_A      T    29_A     0.251     0    0.034   0.908     2.067  100.000   91.088
LGA    K    30_A      K    30_A     0.573     0    0.024   1.017     4.584   97.619   82.381
LGA    A    31_A      A    31_A     0.528     0    0.037   0.048     0.573   95.238   96.190
LGA    L    32_A      L    32_A     0.202     0    0.023   0.108     0.764  100.000   98.810
LGA    E    33_A      E    33_A     0.584     0    0.020   0.254     1.378   92.857   90.529
LGA    Q    34_A      Q    34_A     0.970     0    0.077   0.542     2.128   88.214   80.688
LGA    C    35_A      C    35_A     0.565     0    0.048   0.770     1.485   90.595   87.540
LGA    A    36_A      A    36_A     1.794     0    0.042   0.046     2.490   72.976   71.333
LGA    A    37_A      A    37_A     2.074     0    0.307   0.305     3.310   63.095   63.429
LGA    G    38_A      G    38_A     0.262     0    0.055   0.055     0.550   95.238   95.238
LGA    F    39_A      F    39_A     0.133     0    0.047   0.070     0.870  100.000   95.671
LGA    H    40_A      H    40_A     0.208     0    0.050   1.239     6.278  100.000   70.429
LGA    H    41_A      H    41_A     0.385     0    0.042   0.302     1.634  100.000   89.905
LGA    T    42_A      T    42_A     0.570     0    0.021   1.194     2.592   92.857   83.401
LGA    A    43_A      A    43_A     0.476     0    0.036   0.046     0.499  100.000  100.000
LGA    F    44_A      F    44_A     0.150     0    0.019   0.079     0.586  100.000   98.268
LGA    F    45_A      F    45_A     0.140     0    0.050   0.641     2.224  100.000   88.398
LGA    K    46_A      K    46_A     0.255     0    0.018   0.954     5.510  100.000   73.228
LGA    A    47_A      A    47_A     0.431     0    0.036   0.049     0.502   97.619   98.095
LGA    S    48_A      S    48_A     0.421     0    0.044   0.049     0.670   97.619   98.413
LGA    G    49_A      G    49_A     0.369     0    0.038   0.038     0.369  100.000  100.000
LGA    L    50_A      L    50_A     0.288     0    0.022   0.159     0.890  100.000   98.810
LGA    S    51_A      S    51_A     0.175     0    0.157   0.589     2.008   97.619   90.952
LGA    K    52_A      K    52_A     0.104     0    0.127   0.884     2.959   97.619   89.048
LGA    K    53_A      K    53_A     0.348     0    0.026   0.590     2.046  100.000   92.011
LGA    S    54_A      S    54_A     0.475     0    0.047   0.653     1.788   95.238   90.714
LGA    D    55_A      D    55_A     0.807     0    0.075   0.848     3.357   90.476   76.012
LGA    A    56_A      A    56_A     0.582     0    0.030   0.049     0.789   90.476   90.476
LGA    E    57_A      E    57_A     0.586     0    0.022   1.156     4.300   90.476   77.407
LGA    L    58_A      L    58_A     0.470     0    0.040   0.208     0.513   97.619   98.810
LGA    A    59_A      A    59_A     0.470     0    0.037   0.050     0.724   95.238   94.286
LGA    E    60_A      E    60_A     0.724     0    0.031   0.993     3.498   90.476   79.418
LGA    I    61_A      I    61_A     0.711     0    0.040   1.015     4.335   90.476   77.440
LGA    F    62_A      F    62_A     0.357     0    0.028   0.093     0.429  100.000  100.000
LGA    N    63_A      N    63_A     0.515     0    0.065   1.029     4.455   92.857   75.774
LGA    V    64_A      V    64_A     0.760     0    0.070   0.100     1.731   90.476   84.150
LGA    L    65_A      L    65_A     0.685     0    0.041   0.070     1.012   90.476   89.345
LGA    D    66_A      D    66_A     0.512     0    0.024   0.101     0.620   90.476   92.857
LGA    G    67_A      G    67_A     0.663     0    0.079   0.079     0.930   90.476   90.476
LGA    D    68_A      D    68_A     1.217     0    0.106   0.159     1.429   83.690   83.690
LGA    Q    69_A      Q    69_A     0.901     0    0.068   0.983     6.613   88.214   60.952
LGA    S    70_A      S    70_A     0.735     0    0.036   0.042     0.847   92.857   92.063
LGA    G    71_A      G    71_A     0.467     0    0.041   0.041     0.591   97.619   97.619
LGA    Y    72_A      Y    72_A     0.491     0    0.044   0.091     0.556   95.238   98.413
LGA    I    73_A      I    73_A     0.417     0    0.027   0.085     0.572   97.619   95.238
LGA    E    74_A      E    74_A     0.272     0    0.050   0.226     0.961  100.000   95.767
LGA    V    75_A      V    75_A     0.545     0    0.039   1.033     3.217   92.857   84.762
LGA    E    76_A      E    76_A     0.658     0    0.046   0.950     5.526   90.476   68.677
LGA    E    77_A      E    77_A     0.443     0    0.045   0.235     1.059   97.619   93.704
LGA    L    78_A      L    78_A     0.234     0    0.025   1.344     2.945  100.000   86.726
LGA    K    79_A      K    79_A     0.700     0    0.091   0.945     4.428   90.476   72.910
LGA    N    80_A      N    80_A     0.574     0    0.065   1.090     2.787   92.857   84.286
LGA    F    81_A      F    81_A     0.267     0    0.047   0.099     0.432  100.000  100.000
LGA    L    82_A      L    82_A     0.478     0    0.023   0.090     0.678   97.619   94.048
LGA    K    83_A      K    83_A     0.554     0    0.060   0.700     4.698   90.476   71.217
LGA    C    84_A      C    84_A     0.693     0    0.045   0.049     0.915   90.476   90.476
LGA    F    85_A      F    85_A     0.526     0    0.061   0.116     0.672   92.857   95.671
LGA    S    86_A      S    86_A     0.561     0    0.084   0.085     0.730   90.476   93.651
LGA    D    87_A      D    87_A     0.878     0    0.063   0.856     3.328   90.476   76.905
LGA    G    88_A      G    88_A     0.852     0    0.107   0.107     0.852   90.476   90.476
LGA    A    89_A      A    89_A     0.512     0    0.036   0.041     0.624   92.857   94.286
LGA    R    90_A      R    90_A     0.503     0    0.021   0.896     2.366   95.238   87.446
LGA    V    91_A      V    91_A     0.462     0    0.016   1.145     2.977  100.000   87.483
LGA    L    92_A      L    92_A     0.580     0    0.028   0.054     0.709   92.857   92.857
LGA    N    93_A      N    93_A     0.840     0    0.040   0.829     3.239   90.476   82.024
LGA    D    94_A      D    94_A     0.796     0    0.046   0.938     4.068   90.476   74.583
LGA    K    95_A      K    95_A     0.604     0    0.026   0.912     3.334   90.476   78.571
LGA    E    96_A      E    96_A     0.713     0    0.033   0.189     1.197   90.476   89.471
LGA    T    97_A      T    97_A     0.851     0    0.043   1.110     2.710   90.476   81.905
LGA    S    98_A      S    98_A     0.560     0    0.049   0.088     0.776   90.476   90.476
LGA    N    99_A      N    99_A     0.647     0    0.029   1.387     4.809   90.476   73.036
LGA    F   100_A      F   100_A     0.775     0    0.021   0.702     2.179   90.476   81.688
LGA    L   101_A      L   101_A     1.042     0    0.023   1.401     2.732   85.952   79.702
LGA    A   102_A      A   102_A     0.852     0    0.052   0.053     1.035   90.476   88.667
LGA    A   103_A      A   103_A     0.658     0    0.027   0.036     0.847   90.476   90.476
LGA    G   104_A      G   104_A     0.545     0    0.045   0.045     0.569   92.857   92.857
LGA    D   105_A      D   105_A     0.350     0    0.040   0.172     0.496  100.000  100.000
LGA    S   106_A      S   106_A     0.335     0    0.140   0.616     1.078   97.619   93.730
LGA    D   107_A      D   107_A     0.664     0    0.145   0.217     1.500   90.595   88.274
LGA    G   108_A      G   108_A     0.641     0    0.047   0.047     0.641   95.238   95.238
LGA    D   109_A      D   109_A     0.327     0    0.098   0.090     0.680   97.619   96.429
LGA    H   110_A      H   110_A     0.327     0    0.016   1.095     2.943  100.000   89.381
LGA    K   111_A      K   111_A     0.437     0    0.032   0.692     1.444  100.000   92.698
LGA    I   112_A      I   112_A     0.342     0    0.021   0.612     2.570  100.000   94.643
LGA    G   113_A      G   113_A     0.195     0    0.028   0.028     0.267  100.000  100.000
LGA    V   114_A      V   114_A     0.186     0    0.018   0.112     0.310  100.000  100.000
LGA    D   115_A      D   115_A     0.177     0    0.025   1.142     4.104  100.000   83.333
LGA    E   116_A      E   116_A     0.226     0    0.034   0.055     0.295  100.000  100.000
LGA    F   117_A      F   117_A     0.263     0    0.018   0.095     0.815  100.000   96.537
LGA    K   118_A      K   118_A     0.297     0    0.035   0.897     3.898  100.000   81.376
LGA    S   119_A      S   119_A     0.270     0    0.016   0.659     2.202  100.000   94.127
LGA    M   120_A      M   120_A     0.373     0    0.024   0.507     1.703  100.000   91.964
LGA    A   121_A      A   121_A     0.493     0    0.031   0.043     0.493  100.000  100.000
LGA    K   122_A      K   122_A     0.501     0    0.401   0.716     2.145   86.429   85.767

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     790    790  100.00               108
SUMMARY(RMSD_GDC):     0.620          0.639                  1.351           90.810   85.053

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  104  108    4.0    104    0.62    95.139    95.793    14.452

LGA_LOCAL      RMSD:   0.620  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.620  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.620  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.669807 * X  +   0.705965 * Y  +  -0.230156 * Z  +  16.450075
  Y_new =   0.683116 * X  +  -0.707355 * Y  +  -0.181665 * Z  + -24.753664
  Z_new =  -0.291051 * X  +  -0.035543 * Y  +  -0.956047 * Z  + -13.732312 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.795235  0.295325 -3.104433   [DEG:   45.5636   16.9209 -177.8709 ]
ZXZ: -0.902608  2.844007 -1.692315   [DEG:  -51.7156  162.9496  -96.9625 ]
 
# END of job
